USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 943 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -136:sc= -1.18 (180deg=-2.85!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 51:sc= 0.507 USER MOD Single : A 9 SER OG : rot -110:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= 0.425 (180deg=-0.271) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc=-0.00502 (180deg=-0.0742) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc=-0.000136 F(o=-1.4,f=-0.00014) USER MOD Single : A 31 THR OG1 : rot 38:sc= 0.318 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 140:sc= -1.13 (180deg=-2.89!) USER MOD Single : A 41 TYR OH : rot 63:sc= 0.236 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -90:sc= 0.687 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0.697 (180deg=0.696) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0.483 (180deg=0.427) USER MOD Single : A 68 LYS NZ :NH3+ -102:sc= -0.039 (180deg=-1.26) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -151:sc= 0 (180deg=-0.0971) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -161:sc=-0.00655 (180deg=-0.558) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00472) USER MOD Single : A 97 SER OG : rot -83:sc= 0.0216 USER MOD Single : A 102 SER OG : rot 158:sc= 0.143 USER MOD Single : A 105 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.027) USER MOD Single : A 106 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=-0.32) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HE2:sc= 0.279 K(o=0.28,f=-2.1!) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.442 -2.078 13.546 1.00 43.44 N ATOM 2 CA MET A 1 -10.178 -1.146 12.425 1.00 55.25 C ATOM 3 C MET A 1 -9.415 -1.884 11.312 1.00 2.41 C ATOM 4 O MET A 1 -8.272 -2.303 11.522 1.00 62.33 O ATOM 5 CB MET A 1 -9.378 0.095 12.919 1.00 62.00 C ATOM 6 CG MET A 1 -9.261 1.214 11.881 1.00 25.41 C ATOM 7 SD MET A 1 -10.885 1.852 11.421 1.00 4.30 S ATOM 8 CE MET A 1 -10.467 3.058 10.174 1.00 13.02 C ATOM 0 H1 MET A 1 -10.958 -1.579 14.298 1.00 43.44 H new ATOM 0 H2 MET A 1 -11.014 -2.877 13.206 1.00 43.44 H new ATOM 0 H3 MET A 1 -9.540 -2.433 13.922 1.00 43.44 H new ATOM 0 HA MET A 1 -11.127 -0.790 12.025 1.00 55.25 H new ATOM 0 HB2 MET A 1 -9.859 0.492 13.813 1.00 62.00 H new ATOM 0 HB3 MET A 1 -8.377 -0.223 13.210 1.00 62.00 H new ATOM 0 HG2 MET A 1 -8.650 2.023 12.282 1.00 25.41 H new ATOM 0 HG3 MET A 1 -8.751 0.839 10.994 1.00 25.41 H new ATOM 0 HE1 MET A 1 -11.043 3.968 10.340 1.00 13.02 H new ATOM 0 HE2 MET A 1 -9.403 3.287 10.231 1.00 13.02 H new ATOM 0 HE3 MET A 1 -10.699 2.657 9.187 1.00 13.02 H new ATOM 20 N LEU A 2 -10.072 -2.070 10.147 1.00 44.41 N ATOM 21 CA LEU A 2 -9.479 -2.762 8.985 1.00 35.50 C ATOM 22 C LEU A 2 -8.316 -1.938 8.395 1.00 21.31 C ATOM 23 O LEU A 2 -8.530 -0.873 7.813 1.00 55.33 O ATOM 24 CB LEU A 2 -10.560 -3.034 7.898 1.00 53.44 C ATOM 25 CG LEU A 2 -11.786 -3.896 8.335 1.00 64.40 C ATOM 26 CD1 LEU A 2 -12.769 -4.105 7.160 1.00 13.51 C ATOM 27 CD2 LEU A 2 -11.336 -5.241 8.947 1.00 73.52 C ATOM 0 H LEU A 2 -11.026 -1.745 9.987 1.00 44.41 H new ATOM 0 HA LEU A 2 -9.084 -3.719 9.325 1.00 35.50 H new ATOM 0 HB2 LEU A 2 -10.929 -2.074 7.536 1.00 53.44 H new ATOM 0 HB3 LEU A 2 -10.079 -3.529 7.054 1.00 53.44 H new ATOM 0 HG LEU A 2 -12.318 -3.348 9.112 1.00 64.40 H new ATOM 0 HD11 LEU A 2 -13.613 -4.709 7.494 1.00 13.51 H new ATOM 0 HD12 LEU A 2 -13.131 -3.138 6.812 1.00 13.51 H new ATOM 0 HD13 LEU A 2 -12.258 -4.616 6.344 1.00 13.51 H new ATOM 0 HD21 LEU A 2 -12.213 -5.818 9.241 1.00 73.52 H new ATOM 0 HD22 LEU A 2 -10.763 -5.803 8.210 1.00 73.52 H new ATOM 0 HD23 LEU A 2 -10.715 -5.053 9.823 1.00 73.52 H new ATOM 39 N LEU A 3 -7.079 -2.414 8.610 1.00 73.54 N ATOM 40 CA LEU A 3 -5.858 -1.745 8.127 1.00 63.15 C ATOM 41 C LEU A 3 -5.163 -2.596 7.048 1.00 1.34 C ATOM 42 O LEU A 3 -4.674 -3.703 7.321 1.00 62.41 O ATOM 43 CB LEU A 3 -4.919 -1.450 9.330 1.00 20.15 C ATOM 44 CG LEU A 3 -5.503 -0.476 10.407 1.00 53.53 C ATOM 45 CD1 LEU A 3 -4.507 -0.231 11.558 1.00 0.25 C ATOM 46 CD2 LEU A 3 -5.965 0.855 9.768 1.00 73.52 C ATOM 0 H LEU A 3 -6.896 -3.275 9.125 1.00 73.54 H new ATOM 0 HA LEU A 3 -6.122 -0.796 7.661 1.00 63.15 H new ATOM 0 HB2 LEU A 3 -4.668 -2.394 9.814 1.00 20.15 H new ATOM 0 HB3 LEU A 3 -3.988 -1.030 8.949 1.00 20.15 H new ATOM 0 HG LEU A 3 -6.380 -0.959 10.838 1.00 53.53 H new ATOM 0 HD11 LEU A 3 -4.951 0.450 12.284 1.00 0.25 H new ATOM 0 HD12 LEU A 3 -4.273 -1.178 12.045 1.00 0.25 H new ATOM 0 HD13 LEU A 3 -3.592 0.208 11.160 1.00 0.25 H new ATOM 0 HD21 LEU A 3 -6.366 1.510 10.542 1.00 73.52 H new ATOM 0 HD22 LEU A 3 -5.117 1.340 9.285 1.00 73.52 H new ATOM 0 HD23 LEU A 3 -6.738 0.654 9.027 1.00 73.52 H new ATOM 58 N TYR A 4 -5.143 -2.063 5.810 1.00 64.32 N ATOM 59 CA TYR A 4 -4.585 -2.741 4.628 1.00 35.22 C ATOM 60 C TYR A 4 -3.458 -1.909 4.010 1.00 13.43 C ATOM 61 O TYR A 4 -3.560 -0.685 3.896 1.00 62.31 O ATOM 62 CB TYR A 4 -5.700 -2.989 3.584 1.00 71.24 C ATOM 63 CG TYR A 4 -6.682 -4.094 3.986 1.00 3.40 C ATOM 64 CD1 TYR A 4 -7.812 -3.824 4.762 1.00 51.11 C ATOM 65 CD2 TYR A 4 -6.471 -5.417 3.592 1.00 11.34 C ATOM 66 CE1 TYR A 4 -8.689 -4.829 5.120 1.00 25.15 C ATOM 67 CE2 TYR A 4 -7.350 -6.416 3.951 1.00 22.23 C ATOM 68 CZ TYR A 4 -8.450 -6.119 4.714 1.00 71.34 C ATOM 69 OH TYR A 4 -9.319 -7.118 5.072 1.00 41.41 O ATOM 0 H TYR A 4 -5.519 -1.138 5.603 1.00 64.32 H new ATOM 0 HA TYR A 4 -4.172 -3.700 4.941 1.00 35.22 H new ATOM 0 HB2 TYR A 4 -6.253 -2.063 3.428 1.00 71.24 H new ATOM 0 HB3 TYR A 4 -5.242 -3.251 2.630 1.00 71.24 H new ATOM 0 HD1 TYR A 4 -8.003 -2.812 5.087 1.00 51.11 H new ATOM 0 HD2 TYR A 4 -5.604 -5.662 2.996 1.00 11.34 H new ATOM 0 HE1 TYR A 4 -9.560 -4.601 5.717 1.00 25.15 H new ATOM 0 HE2 TYR A 4 -7.173 -7.432 3.632 1.00 22.23 H new ATOM 0 HH TYR A 4 -10.235 -6.852 4.846 1.00 41.41 H new ATOM 79 N VAL A 5 -2.384 -2.600 3.620 1.00 52.51 N ATOM 80 CA VAL A 5 -1.192 -2.004 3.015 1.00 62.11 C ATOM 81 C VAL A 5 -1.008 -2.601 1.599 1.00 72.42 C ATOM 82 O VAL A 5 -0.933 -3.820 1.445 1.00 54.13 O ATOM 83 CB VAL A 5 0.084 -2.278 3.911 1.00 61.31 C ATOM 84 CG1 VAL A 5 1.344 -1.619 3.318 1.00 21.22 C ATOM 85 CG2 VAL A 5 -0.141 -1.816 5.375 1.00 53.45 C ATOM 0 H VAL A 5 -2.318 -3.613 3.719 1.00 52.51 H new ATOM 0 HA VAL A 5 -1.316 -0.923 2.943 1.00 62.11 H new ATOM 0 HB VAL A 5 0.244 -3.356 3.920 1.00 61.31 H new ATOM 0 HG11 VAL A 5 2.200 -1.828 3.959 1.00 21.22 H new ATOM 0 HG12 VAL A 5 1.530 -2.021 2.322 1.00 21.22 H new ATOM 0 HG13 VAL A 5 1.194 -0.541 3.253 1.00 21.22 H new ATOM 0 HG21 VAL A 5 0.755 -2.019 5.962 1.00 53.45 H new ATOM 0 HG22 VAL A 5 -0.351 -0.746 5.391 1.00 53.45 H new ATOM 0 HG23 VAL A 5 -0.985 -2.358 5.802 1.00 53.45 H new ATOM 95 N LEU A 6 -0.967 -1.730 0.575 1.00 63.44 N ATOM 96 CA LEU A 6 -0.752 -2.116 -0.833 1.00 33.12 C ATOM 97 C LEU A 6 0.670 -1.713 -1.241 1.00 35.23 C ATOM 98 O LEU A 6 0.984 -0.532 -1.232 1.00 44.04 O ATOM 99 CB LEU A 6 -1.779 -1.382 -1.753 1.00 53.42 C ATOM 100 CG LEU A 6 -3.292 -1.644 -1.474 1.00 42.31 C ATOM 101 CD1 LEU A 6 -4.206 -0.921 -2.496 1.00 53.11 C ATOM 102 CD2 LEU A 6 -3.594 -3.138 -1.445 1.00 41.44 C ATOM 0 H LEU A 6 -1.084 -0.725 0.703 1.00 63.44 H new ATOM 0 HA LEU A 6 -0.886 -3.192 -0.940 1.00 33.12 H new ATOM 0 HB2 LEU A 6 -1.600 -0.310 -1.673 1.00 53.42 H new ATOM 0 HB3 LEU A 6 -1.571 -1.663 -2.785 1.00 53.42 H new ATOM 0 HG LEU A 6 -3.510 -1.229 -0.490 1.00 42.31 H new ATOM 0 HD11 LEU A 6 -5.250 -1.132 -2.263 1.00 53.11 H new ATOM 0 HD12 LEU A 6 -4.032 0.154 -2.443 1.00 53.11 H new ATOM 0 HD13 LEU A 6 -3.980 -1.276 -3.501 1.00 53.11 H new ATOM 0 HD21 LEU A 6 -4.655 -3.291 -1.249 1.00 41.44 H new ATOM 0 HD22 LEU A 6 -3.336 -3.580 -2.407 1.00 41.44 H new ATOM 0 HD23 LEU A 6 -3.007 -3.613 -0.658 1.00 41.44 H new ATOM 114 N ILE A 7 1.537 -2.673 -1.586 1.00 71.21 N ATOM 115 CA ILE A 7 2.934 -2.360 -1.943 1.00 32.05 C ATOM 116 C ILE A 7 3.208 -2.575 -3.454 1.00 52.04 C ATOM 117 O ILE A 7 3.115 -3.693 -3.970 1.00 5.51 O ATOM 118 CB ILE A 7 3.942 -3.177 -1.056 1.00 21.23 C ATOM 119 CG1 ILE A 7 5.410 -2.801 -1.422 1.00 34.24 C ATOM 120 CG2 ILE A 7 3.706 -4.710 -1.136 1.00 74.14 C ATOM 121 CD1 ILE A 7 6.444 -3.412 -0.516 1.00 13.10 C ATOM 0 H ILE A 7 1.303 -3.665 -1.627 1.00 71.21 H new ATOM 0 HA ILE A 7 3.091 -1.301 -1.738 1.00 32.05 H new ATOM 0 HB ILE A 7 3.761 -2.901 -0.017 1.00 21.23 H new ATOM 0 HG12 ILE A 7 5.609 -3.114 -2.447 1.00 34.24 H new ATOM 0 HG13 ILE A 7 5.514 -1.716 -1.395 1.00 34.24 H new ATOM 0 HG21 ILE A 7 4.431 -5.223 -0.504 1.00 74.14 H new ATOM 0 HG22 ILE A 7 2.697 -4.941 -0.793 1.00 74.14 H new ATOM 0 HG23 ILE A 7 3.824 -5.043 -2.167 1.00 74.14 H new ATOM 0 HD11 ILE A 7 7.438 -3.102 -0.838 1.00 13.10 H new ATOM 0 HD12 ILE A 7 6.273 -3.079 0.508 1.00 13.10 H new ATOM 0 HD13 ILE A 7 6.371 -4.499 -0.561 1.00 13.10 H new ATOM 133 N ILE A 8 3.519 -1.472 -4.161 1.00 2.11 N ATOM 134 CA ILE A 8 3.961 -1.491 -5.566 1.00 4.54 C ATOM 135 C ILE A 8 5.485 -1.247 -5.610 1.00 13.22 C ATOM 136 O ILE A 8 5.944 -0.121 -5.391 1.00 34.12 O ATOM 137 CB ILE A 8 3.235 -0.373 -6.413 1.00 1.11 C ATOM 138 CG1 ILE A 8 1.696 -0.419 -6.186 1.00 70.13 C ATOM 139 CG2 ILE A 8 3.581 -0.505 -7.924 1.00 20.30 C ATOM 140 CD1 ILE A 8 0.910 0.668 -6.891 1.00 44.35 C ATOM 0 H ILE A 8 3.469 -0.533 -3.767 1.00 2.11 H new ATOM 0 HA ILE A 8 3.710 -2.461 -5.995 1.00 4.54 H new ATOM 0 HB ILE A 8 3.597 0.597 -6.072 1.00 1.11 H new ATOM 0 HG12 ILE A 8 1.324 -1.388 -6.518 1.00 70.13 H new ATOM 0 HG13 ILE A 8 1.500 -0.352 -5.116 1.00 70.13 H new ATOM 0 HG21 ILE A 8 3.068 0.277 -8.484 1.00 20.30 H new ATOM 0 HG22 ILE A 8 4.658 -0.403 -8.061 1.00 20.30 H new ATOM 0 HG23 ILE A 8 3.260 -1.481 -8.287 1.00 20.30 H new ATOM 0 HD11 ILE A 8 -0.151 0.551 -6.671 1.00 44.35 H new ATOM 0 HD12 ILE A 8 1.247 1.644 -6.543 1.00 44.35 H new ATOM 0 HD13 ILE A 8 1.068 0.592 -7.967 1.00 44.35 H new ATOM 152 N SER A 9 6.258 -2.307 -5.862 1.00 0.04 N ATOM 153 CA SER A 9 7.714 -2.213 -6.053 1.00 52.10 C ATOM 154 C SER A 9 8.189 -3.349 -6.960 1.00 2.44 C ATOM 155 O SER A 9 7.520 -4.383 -7.072 1.00 41.02 O ATOM 156 CB SER A 9 8.458 -2.259 -4.692 1.00 3.13 C ATOM 157 OG SER A 9 9.865 -2.104 -4.853 1.00 31.24 O ATOM 0 H SER A 9 5.895 -3.257 -5.940 1.00 0.04 H new ATOM 0 HA SER A 9 7.942 -1.258 -6.526 1.00 52.10 H new ATOM 0 HB2 SER A 9 8.077 -1.470 -4.043 1.00 3.13 H new ATOM 0 HB3 SER A 9 8.251 -3.208 -4.196 1.00 3.13 H new ATOM 0 HG SER A 9 10.313 -2.952 -4.652 1.00 31.24 H new ATOM 163 N ASN A 10 9.334 -3.132 -7.615 1.00 24.33 N ATOM 164 CA ASN A 10 9.995 -4.149 -8.454 1.00 43.41 C ATOM 165 C ASN A 10 11.044 -4.913 -7.637 1.00 15.23 C ATOM 166 O ASN A 10 11.286 -6.103 -7.880 1.00 75.33 O ATOM 167 CB ASN A 10 10.649 -3.489 -9.698 1.00 3.23 C ATOM 168 CG ASN A 10 9.623 -2.899 -10.671 1.00 53.31 C ATOM 169 OD1 ASN A 10 8.509 -3.405 -10.808 1.00 20.50 O ATOM 170 ND2 ASN A 10 9.984 -1.827 -11.349 1.00 65.03 N ATOM 0 H ASN A 10 9.834 -2.244 -7.581 1.00 24.33 H new ATOM 0 HA ASN A 10 9.241 -4.856 -8.799 1.00 43.41 H new ATOM 0 HB2 ASN A 10 11.326 -2.700 -9.370 1.00 3.23 H new ATOM 0 HB3 ASN A 10 11.253 -4.231 -10.221 1.00 3.23 H new ATOM 0 HD21 ASN A 10 9.334 -1.396 -12.006 1.00 65.03 H new ATOM 0 HD22 ASN A 10 10.913 -1.428 -11.216 1.00 65.03 H new ATOM 177 N ASP A 11 11.650 -4.213 -6.661 1.00 72.43 N ATOM 178 CA ASP A 11 12.696 -4.777 -5.805 1.00 24.22 C ATOM 179 C ASP A 11 12.062 -5.702 -4.769 1.00 32.44 C ATOM 180 O ASP A 11 11.354 -5.237 -3.871 1.00 32.02 O ATOM 181 CB ASP A 11 13.508 -3.657 -5.112 1.00 15.33 C ATOM 182 CG ASP A 11 14.331 -2.839 -6.107 1.00 52.44 C ATOM 183 OD1 ASP A 11 13.747 -1.983 -6.813 1.00 4.21 O ATOM 184 OD2 ASP A 11 15.560 -3.072 -6.226 1.00 1.20 O ATOM 0 H ASP A 11 11.425 -3.241 -6.448 1.00 72.43 H new ATOM 0 HA ASP A 11 13.386 -5.351 -6.423 1.00 24.22 H new ATOM 0 HB2 ASP A 11 12.827 -2.996 -4.576 1.00 15.33 H new ATOM 0 HB3 ASP A 11 14.173 -4.099 -4.370 1.00 15.33 H new ATOM 189 N LYS A 12 12.319 -7.014 -4.930 1.00 23.32 N ATOM 190 CA LYS A 12 11.825 -8.073 -4.022 1.00 12.10 C ATOM 191 C LYS A 12 12.399 -7.905 -2.604 1.00 42.12 C ATOM 192 O LYS A 12 11.821 -8.397 -1.637 1.00 13.43 O ATOM 193 CB LYS A 12 12.166 -9.484 -4.582 1.00 13.44 C ATOM 194 CG LYS A 12 11.633 -9.761 -6.003 1.00 65.24 C ATOM 195 CD LYS A 12 10.097 -9.688 -6.090 1.00 54.13 C ATOM 196 CE LYS A 12 9.588 -9.807 -7.535 1.00 34.12 C ATOM 197 NZ LYS A 12 10.127 -8.722 -8.399 1.00 60.12 N ATOM 0 H LYS A 12 12.881 -7.375 -5.701 1.00 23.32 H new ATOM 0 HA LYS A 12 10.741 -7.977 -3.961 1.00 12.10 H new ATOM 0 HB2 LYS A 12 13.249 -9.607 -4.585 1.00 13.44 H new ATOM 0 HB3 LYS A 12 11.762 -10.236 -3.904 1.00 13.44 H new ATOM 0 HG2 LYS A 12 12.066 -9.039 -6.695 1.00 65.24 H new ATOM 0 HG3 LYS A 12 11.964 -10.749 -6.324 1.00 65.24 H new ATOM 0 HD2 LYS A 12 9.663 -10.486 -5.487 1.00 54.13 H new ATOM 0 HD3 LYS A 12 9.756 -8.745 -5.663 1.00 54.13 H new ATOM 0 HE2 LYS A 12 9.877 -10.775 -7.944 1.00 34.12 H new ATOM 0 HE3 LYS A 12 8.499 -9.770 -7.541 1.00 34.12 H new ATOM 0 HZ1 LYS A 12 9.391 -8.411 -9.065 1.00 60.12 H new ATOM 0 HZ2 LYS A 12 10.419 -7.919 -7.806 1.00 60.12 H new ATOM 0 HZ3 LYS A 12 10.948 -9.077 -8.930 1.00 60.12 H new ATOM 211 N LYS A 13 13.537 -7.194 -2.514 1.00 63.52 N ATOM 212 CA LYS A 13 14.145 -6.785 -1.247 1.00 51.31 C ATOM 213 C LYS A 13 13.202 -5.828 -0.502 1.00 73.44 C ATOM 214 O LYS A 13 12.859 -6.081 0.650 1.00 63.13 O ATOM 215 CB LYS A 13 15.518 -6.119 -1.527 1.00 53.24 C ATOM 216 CG LYS A 13 16.558 -7.070 -2.171 1.00 41.32 C ATOM 217 CD LYS A 13 17.834 -6.331 -2.638 1.00 32.44 C ATOM 218 CE LYS A 13 18.604 -5.658 -1.488 1.00 25.21 C ATOM 219 NZ LYS A 13 19.654 -4.732 -1.987 1.00 23.31 N ATOM 0 H LYS A 13 14.062 -6.886 -3.332 1.00 63.52 H new ATOM 0 HA LYS A 13 14.308 -7.657 -0.614 1.00 51.31 H new ATOM 0 HB2 LYS A 13 15.368 -5.262 -2.184 1.00 53.24 H new ATOM 0 HB3 LYS A 13 15.922 -5.735 -0.590 1.00 53.24 H new ATOM 0 HG2 LYS A 13 16.833 -7.842 -1.452 1.00 41.32 H new ATOM 0 HG3 LYS A 13 16.103 -7.575 -3.023 1.00 41.32 H new ATOM 0 HD2 LYS A 13 18.492 -7.040 -3.141 1.00 32.44 H new ATOM 0 HD3 LYS A 13 17.559 -5.575 -3.373 1.00 32.44 H new ATOM 0 HE2 LYS A 13 17.906 -5.108 -0.857 1.00 25.21 H new ATOM 0 HE3 LYS A 13 19.063 -6.423 -0.863 1.00 25.21 H new ATOM 0 HZ1 LYS A 13 20.148 -4.300 -1.180 1.00 23.31 H new ATOM 0 HZ2 LYS A 13 20.336 -5.261 -2.568 1.00 23.31 H new ATOM 0 HZ3 LYS A 13 19.214 -3.986 -2.563 1.00 23.31 H new ATOM 233 N LEU A 14 12.740 -4.766 -1.207 1.00 44.14 N ATOM 234 CA LEU A 14 11.794 -3.763 -0.656 1.00 53.53 C ATOM 235 C LEU A 14 10.455 -4.422 -0.276 1.00 32.02 C ATOM 236 O LEU A 14 9.872 -4.105 0.775 1.00 1.21 O ATOM 237 CB LEU A 14 11.588 -2.585 -1.674 1.00 20.42 C ATOM 238 CG LEU A 14 10.908 -1.258 -1.133 1.00 52.40 C ATOM 239 CD1 LEU A 14 11.359 -0.018 -1.940 1.00 14.35 C ATOM 240 CD2 LEU A 14 9.366 -1.335 -1.129 1.00 33.40 C ATOM 0 H LEU A 14 13.012 -4.581 -2.172 1.00 44.14 H new ATOM 0 HA LEU A 14 12.223 -3.346 0.255 1.00 53.53 H new ATOM 0 HB2 LEU A 14 12.563 -2.320 -2.083 1.00 20.42 H new ATOM 0 HB3 LEU A 14 10.985 -2.958 -2.502 1.00 20.42 H new ATOM 0 HG LEU A 14 11.242 -1.156 -0.101 1.00 52.40 H new ATOM 0 HD11 LEU A 14 10.873 0.872 -1.541 1.00 14.35 H new ATOM 0 HD12 LEU A 14 12.441 0.093 -1.862 1.00 14.35 H new ATOM 0 HD13 LEU A 14 11.082 -0.144 -2.987 1.00 14.35 H new ATOM 0 HD21 LEU A 14 8.956 -0.399 -0.749 1.00 33.40 H new ATOM 0 HD22 LEU A 14 9.007 -1.502 -2.145 1.00 33.40 H new ATOM 0 HD23 LEU A 14 9.044 -2.158 -0.490 1.00 33.40 H new ATOM 252 N ILE A 15 9.999 -5.349 -1.139 1.00 43.02 N ATOM 253 CA ILE A 15 8.728 -6.067 -0.963 1.00 65.41 C ATOM 254 C ILE A 15 8.744 -6.903 0.329 1.00 53.51 C ATOM 255 O ILE A 15 7.810 -6.821 1.136 1.00 70.11 O ATOM 256 CB ILE A 15 8.378 -6.953 -2.222 1.00 2.34 C ATOM 257 CG1 ILE A 15 8.199 -6.034 -3.483 1.00 74.20 C ATOM 258 CG2 ILE A 15 7.114 -7.816 -1.973 1.00 72.55 C ATOM 259 CD1 ILE A 15 7.885 -6.764 -4.777 1.00 11.23 C ATOM 0 H ILE A 15 10.506 -5.620 -1.981 1.00 43.02 H new ATOM 0 HA ILE A 15 7.938 -5.322 -0.869 1.00 65.41 H new ATOM 0 HB ILE A 15 9.204 -7.641 -2.403 1.00 2.34 H new ATOM 0 HG12 ILE A 15 7.398 -5.322 -3.283 1.00 74.20 H new ATOM 0 HG13 ILE A 15 9.112 -5.456 -3.623 1.00 74.20 H new ATOM 0 HG21 ILE A 15 6.901 -8.414 -2.859 1.00 72.55 H new ATOM 0 HG22 ILE A 15 7.286 -8.476 -1.123 1.00 72.55 H new ATOM 0 HG23 ILE A 15 6.265 -7.166 -1.761 1.00 72.55 H new ATOM 0 HD11 ILE A 15 7.780 -6.041 -5.586 1.00 11.23 H new ATOM 0 HD12 ILE A 15 8.695 -7.456 -5.010 1.00 11.23 H new ATOM 0 HD13 ILE A 15 6.954 -7.320 -4.664 1.00 11.23 H new ATOM 271 N GLU A 16 9.831 -7.661 0.530 1.00 31.10 N ATOM 272 CA GLU A 16 9.992 -8.503 1.723 1.00 0.34 C ATOM 273 C GLU A 16 10.235 -7.668 2.996 1.00 12.30 C ATOM 274 O GLU A 16 9.740 -8.033 4.048 1.00 4.22 O ATOM 275 CB GLU A 16 11.101 -9.554 1.526 1.00 34.21 C ATOM 276 CG GLU A 16 10.770 -10.611 0.455 1.00 14.45 C ATOM 277 CD GLU A 16 11.806 -11.737 0.405 1.00 1.55 C ATOM 278 OE1 GLU A 16 11.660 -12.726 1.160 1.00 51.10 O ATOM 279 OE2 GLU A 16 12.785 -11.622 -0.358 1.00 30.15 O ATOM 0 H GLU A 16 10.615 -7.708 -0.121 1.00 31.10 H new ATOM 0 HA GLU A 16 9.050 -9.034 1.863 1.00 0.34 H new ATOM 0 HB2 GLU A 16 12.025 -9.047 1.249 1.00 34.21 H new ATOM 0 HB3 GLU A 16 11.285 -10.057 2.475 1.00 34.21 H new ATOM 0 HG2 GLU A 16 9.787 -11.035 0.659 1.00 14.45 H new ATOM 0 HG3 GLU A 16 10.714 -10.130 -0.521 1.00 14.45 H new ATOM 286 N GLU A 17 10.952 -6.532 2.880 1.00 41.50 N ATOM 287 CA GLU A 17 11.226 -5.631 4.032 1.00 74.12 C ATOM 288 C GLU A 17 9.927 -5.061 4.628 1.00 70.12 C ATOM 289 O GLU A 17 9.730 -5.066 5.855 1.00 63.31 O ATOM 290 CB GLU A 17 12.161 -4.471 3.604 1.00 42.21 C ATOM 291 CG GLU A 17 13.639 -4.861 3.432 1.00 34.42 C ATOM 292 CD GLU A 17 14.331 -5.205 4.759 1.00 72.22 C ATOM 293 OE1 GLU A 17 14.686 -4.272 5.512 1.00 25.45 O ATOM 294 OE2 GLU A 17 14.537 -6.404 5.057 1.00 52.31 O ATOM 0 H GLU A 17 11.355 -6.211 2.000 1.00 41.50 H new ATOM 0 HA GLU A 17 11.719 -6.226 4.801 1.00 74.12 H new ATOM 0 HB2 GLU A 17 11.797 -4.059 2.663 1.00 42.21 H new ATOM 0 HB3 GLU A 17 12.094 -3.676 4.347 1.00 42.21 H new ATOM 0 HG2 GLU A 17 13.707 -5.718 2.761 1.00 34.42 H new ATOM 0 HG3 GLU A 17 14.172 -4.039 2.954 1.00 34.42 H new ATOM 301 N ALA A 18 9.057 -4.569 3.738 1.00 2.33 N ATOM 302 CA ALA A 18 7.745 -4.035 4.114 1.00 3.20 C ATOM 303 C ALA A 18 6.778 -5.172 4.514 1.00 55.10 C ATOM 304 O ALA A 18 5.905 -4.977 5.361 1.00 20.00 O ATOM 305 CB ALA A 18 7.175 -3.201 2.969 1.00 61.00 C ATOM 0 H ALA A 18 9.244 -4.530 2.736 1.00 2.33 H new ATOM 0 HA ALA A 18 7.866 -3.390 4.984 1.00 3.20 H new ATOM 0 HB1 ALA A 18 6.200 -2.808 3.256 1.00 61.00 H new ATOM 0 HB2 ALA A 18 7.850 -2.374 2.750 1.00 61.00 H new ATOM 0 HB3 ALA A 18 7.068 -3.826 2.082 1.00 61.00 H new ATOM 311 N ARG A 19 6.952 -6.363 3.896 1.00 63.51 N ATOM 312 CA ARG A 19 6.154 -7.566 4.223 1.00 44.00 C ATOM 313 C ARG A 19 6.397 -7.994 5.674 1.00 31.44 C ATOM 314 O ARG A 19 5.441 -8.301 6.394 1.00 44.04 O ATOM 315 CB ARG A 19 6.476 -8.740 3.260 1.00 62.34 C ATOM 316 CG ARG A 19 5.689 -10.038 3.550 1.00 34.15 C ATOM 317 CD ARG A 19 6.016 -11.180 2.566 1.00 53.22 C ATOM 318 NE ARG A 19 7.458 -11.506 2.507 1.00 64.31 N ATOM 319 CZ ARG A 19 8.171 -12.120 3.473 1.00 55.04 C ATOM 320 NH1 ARG A 19 7.617 -12.480 4.626 1.00 61.41 N ATOM 321 NH2 ARG A 19 9.445 -12.394 3.260 1.00 51.11 N ATOM 0 H ARG A 19 7.644 -6.516 3.162 1.00 63.51 H new ATOM 0 HA ARG A 19 5.102 -7.307 4.100 1.00 44.00 H new ATOM 0 HB2 ARG A 19 6.267 -8.423 2.238 1.00 62.34 H new ATOM 0 HB3 ARG A 19 7.543 -8.957 3.315 1.00 62.34 H new ATOM 0 HG2 ARG A 19 5.908 -10.368 4.565 1.00 34.15 H new ATOM 0 HG3 ARG A 19 4.621 -9.825 3.507 1.00 34.15 H new ATOM 0 HD2 ARG A 19 5.461 -12.072 2.857 1.00 53.22 H new ATOM 0 HD3 ARG A 19 5.672 -10.902 1.570 1.00 53.22 H new ATOM 0 HE ARG A 19 7.958 -11.242 1.658 1.00 64.31 H new ATOM 0 HH11 ARG A 19 6.629 -12.293 4.797 1.00 61.41 H new ATOM 0 HH12 ARG A 19 8.180 -12.943 5.340 1.00 61.41 H new ATOM 0 HH21 ARG A 19 9.879 -12.141 2.372 1.00 51.11 H new ATOM 0 HH22 ARG A 19 9.995 -12.858 3.983 1.00 51.11 H new ATOM 335 N LYS A 20 7.683 -7.963 6.096 1.00 44.40 N ATOM 336 CA LYS A 20 8.081 -8.310 7.472 1.00 22.21 C ATOM 337 C LYS A 20 7.347 -7.392 8.465 1.00 1.31 C ATOM 338 O LYS A 20 6.705 -7.871 9.393 1.00 21.23 O ATOM 339 CB LYS A 20 9.619 -8.188 7.693 1.00 12.32 C ATOM 340 CG LYS A 20 10.507 -9.115 6.833 1.00 33.54 C ATOM 341 CD LYS A 20 10.183 -10.615 7.007 1.00 62.40 C ATOM 342 CE LYS A 20 11.075 -11.511 6.126 1.00 41.33 C ATOM 343 NZ LYS A 20 12.521 -11.382 6.454 1.00 53.30 N ATOM 0 H LYS A 20 8.464 -7.699 5.495 1.00 44.40 H new ATOM 0 HA LYS A 20 7.807 -9.352 7.640 1.00 22.21 H new ATOM 0 HB2 LYS A 20 9.912 -7.156 7.499 1.00 12.32 H new ATOM 0 HB3 LYS A 20 9.831 -8.388 8.743 1.00 12.32 H new ATOM 0 HG2 LYS A 20 10.390 -8.846 5.783 1.00 33.54 H new ATOM 0 HG3 LYS A 20 11.552 -8.945 7.091 1.00 33.54 H new ATOM 0 HD2 LYS A 20 10.312 -10.894 8.053 1.00 62.40 H new ATOM 0 HD3 LYS A 20 9.136 -10.790 6.757 1.00 62.40 H new ATOM 0 HE2 LYS A 20 10.771 -12.551 6.247 1.00 41.33 H new ATOM 0 HE3 LYS A 20 10.920 -11.253 5.078 1.00 41.33 H new ATOM 0 HZ1 LYS A 20 13.063 -12.089 5.917 1.00 53.30 H new ATOM 0 HZ2 LYS A 20 12.850 -10.428 6.202 1.00 53.30 H new ATOM 0 HZ3 LYS A 20 12.661 -11.538 7.473 1.00 53.30 H new ATOM 357 N MET A 21 7.402 -6.070 8.197 1.00 42.33 N ATOM 358 CA MET A 21 6.771 -5.041 9.050 1.00 34.32 C ATOM 359 C MET A 21 5.238 -5.150 9.068 1.00 52.03 C ATOM 360 O MET A 21 4.621 -4.841 10.086 1.00 44.32 O ATOM 361 CB MET A 21 7.228 -3.603 8.625 1.00 1.31 C ATOM 362 CG MET A 21 8.453 -3.060 9.405 1.00 51.32 C ATOM 363 SD MET A 21 8.029 -1.748 10.585 1.00 42.12 S ATOM 364 CE MET A 21 6.823 -2.522 11.673 1.00 43.12 C ATOM 0 H MET A 21 7.885 -5.687 7.384 1.00 42.33 H new ATOM 0 HA MET A 21 7.111 -5.224 10.069 1.00 34.32 H new ATOM 0 HB2 MET A 21 7.465 -3.611 7.561 1.00 1.31 H new ATOM 0 HB3 MET A 21 6.393 -2.915 8.761 1.00 1.31 H new ATOM 0 HG2 MET A 21 8.927 -3.882 9.941 1.00 51.32 H new ATOM 0 HG3 MET A 21 9.186 -2.678 8.695 1.00 51.32 H new ATOM 0 HE1 MET A 21 6.501 -1.805 12.428 1.00 43.12 H new ATOM 0 HE2 MET A 21 5.961 -2.845 11.089 1.00 43.12 H new ATOM 0 HE3 MET A 21 7.275 -3.385 12.162 1.00 43.12 H new ATOM 374 N ALA A 22 4.640 -5.575 7.950 1.00 32.04 N ATOM 375 CA ALA A 22 3.191 -5.830 7.871 1.00 45.24 C ATOM 376 C ALA A 22 2.784 -6.985 8.817 1.00 3.41 C ATOM 377 O ALA A 22 1.786 -6.888 9.533 1.00 22.33 O ATOM 378 CB ALA A 22 2.789 -6.134 6.422 1.00 53.11 C ATOM 0 H ALA A 22 5.139 -5.752 7.078 1.00 32.04 H new ATOM 0 HA ALA A 22 2.659 -4.935 8.195 1.00 45.24 H new ATOM 0 HB1 ALA A 22 1.716 -6.321 6.374 1.00 53.11 H new ATOM 0 HB2 ALA A 22 3.038 -5.282 5.789 1.00 53.11 H new ATOM 0 HB3 ALA A 22 3.327 -7.015 6.072 1.00 53.11 H new ATOM 384 N GLU A 23 3.604 -8.049 8.834 1.00 22.04 N ATOM 385 CA GLU A 23 3.380 -9.243 9.678 1.00 23.23 C ATOM 386 C GLU A 23 3.648 -8.920 11.172 1.00 51.44 C ATOM 387 O GLU A 23 2.907 -9.375 12.055 1.00 52.41 O ATOM 388 CB GLU A 23 4.293 -10.402 9.176 1.00 13.44 C ATOM 389 CG GLU A 23 4.014 -10.836 7.711 1.00 70.42 C ATOM 390 CD GLU A 23 5.064 -11.810 7.140 1.00 23.54 C ATOM 391 OE1 GLU A 23 6.204 -11.374 6.871 1.00 43.23 O ATOM 392 OE2 GLU A 23 4.751 -13.009 6.942 1.00 42.21 O ATOM 0 H GLU A 23 4.446 -8.109 8.261 1.00 22.04 H new ATOM 0 HA GLU A 23 2.338 -9.554 9.598 1.00 23.23 H new ATOM 0 HB2 GLU A 23 5.335 -10.093 9.260 1.00 13.44 H new ATOM 0 HB3 GLU A 23 4.162 -11.264 9.831 1.00 13.44 H new ATOM 0 HG2 GLU A 23 3.032 -11.306 7.662 1.00 70.42 H new ATOM 0 HG3 GLU A 23 3.975 -9.948 7.080 1.00 70.42 H new ATOM 399 N LYS A 24 4.679 -8.086 11.430 1.00 44.12 N ATOM 400 CA LYS A 24 5.093 -7.670 12.796 1.00 20.05 C ATOM 401 C LYS A 24 4.025 -6.761 13.427 1.00 52.51 C ATOM 402 O LYS A 24 3.635 -6.945 14.580 1.00 70.45 O ATOM 403 CB LYS A 24 6.453 -6.914 12.750 1.00 33.32 C ATOM 404 CG LYS A 24 7.662 -7.770 12.307 1.00 33.55 C ATOM 405 CD LYS A 24 8.918 -6.909 12.033 1.00 33.12 C ATOM 406 CE LYS A 24 10.119 -7.749 11.574 1.00 45.45 C ATOM 407 NZ LYS A 24 11.319 -6.907 11.335 1.00 50.43 N ATOM 0 H LYS A 24 5.254 -7.677 10.693 1.00 44.12 H new ATOM 0 HA LYS A 24 5.205 -8.569 13.403 1.00 20.05 H new ATOM 0 HB2 LYS A 24 6.358 -6.067 12.070 1.00 33.32 H new ATOM 0 HB3 LYS A 24 6.659 -6.507 13.740 1.00 33.32 H new ATOM 0 HG2 LYS A 24 7.888 -8.504 13.080 1.00 33.55 H new ATOM 0 HG3 LYS A 24 7.401 -8.326 11.406 1.00 33.55 H new ATOM 0 HD2 LYS A 24 8.686 -6.166 11.270 1.00 33.12 H new ATOM 0 HD3 LYS A 24 9.185 -6.364 12.938 1.00 33.12 H new ATOM 0 HE2 LYS A 24 10.347 -8.501 12.329 1.00 45.45 H new ATOM 0 HE3 LYS A 24 9.861 -8.283 10.660 1.00 45.45 H new ATOM 0 HZ1 LYS A 24 12.109 -7.509 11.027 1.00 50.43 H new ATOM 0 HZ2 LYS A 24 11.109 -6.205 10.597 1.00 50.43 H new ATOM 0 HZ3 LYS A 24 11.580 -6.417 12.214 1.00 50.43 H new ATOM 421 N ALA A 25 3.546 -5.792 12.631 1.00 52.14 N ATOM 422 CA ALA A 25 2.531 -4.813 13.065 1.00 50.13 C ATOM 423 C ALA A 25 1.108 -5.384 12.941 1.00 51.11 C ATOM 424 O ALA A 25 0.136 -4.680 13.223 1.00 13.23 O ATOM 425 CB ALA A 25 2.682 -3.509 12.260 1.00 14.03 C ATOM 0 H ALA A 25 3.851 -5.663 11.666 1.00 52.14 H new ATOM 0 HA ALA A 25 2.694 -4.592 14.120 1.00 50.13 H new ATOM 0 HB1 ALA A 25 1.929 -2.791 12.586 1.00 14.03 H new ATOM 0 HB2 ALA A 25 3.676 -3.093 12.425 1.00 14.03 H new ATOM 0 HB3 ALA A 25 2.548 -3.719 11.199 1.00 14.03 H new ATOM 431 N ASN A 26 1.013 -6.658 12.488 1.00 4.13 N ATOM 432 CA ASN A 26 -0.251 -7.434 12.403 1.00 31.01 C ATOM 433 C ASN A 26 -1.260 -6.774 11.433 1.00 10.42 C ATOM 434 O ASN A 26 -2.475 -6.938 11.569 1.00 73.35 O ATOM 435 CB ASN A 26 -0.874 -7.676 13.819 1.00 35.12 C ATOM 436 CG ASN A 26 -0.091 -8.647 14.725 1.00 13.23 C ATOM 437 OD1 ASN A 26 1.239 -8.628 14.666 1.00 54.14 O flip ATOM 438 ND2 ASN A 26 -0.686 -9.390 15.505 1.00 31.51 N flip ATOM 0 H ASN A 26 1.825 -7.185 12.166 1.00 4.13 H new ATOM 0 HA ASN A 26 -0.006 -8.413 11.991 1.00 31.01 H new ATOM 0 HB2 ASN A 26 -0.959 -6.717 14.330 1.00 35.12 H new ATOM 0 HB3 ASN A 26 -1.886 -8.060 13.692 1.00 35.12 H new ATOM 0 HD21 ASN A 26 -1.706 -9.388 15.534 1.00 31.51 H new ATOM 0 HD22 ASN A 26 -0.160 -10.008 16.123 1.00 31.51 H new ATOM 445 N LEU A 27 -0.729 -6.043 10.444 1.00 63.42 N ATOM 446 CA LEU A 27 -1.517 -5.421 9.366 1.00 24.14 C ATOM 447 C LEU A 27 -1.597 -6.381 8.169 1.00 22.11 C ATOM 448 O LEU A 27 -0.682 -7.188 7.957 1.00 13.22 O ATOM 449 CB LEU A 27 -0.853 -4.088 8.924 1.00 63.21 C ATOM 450 CG LEU A 27 -0.538 -3.063 10.060 1.00 64.41 C ATOM 451 CD1 LEU A 27 0.065 -1.765 9.493 1.00 63.31 C ATOM 452 CD2 LEU A 27 -1.783 -2.774 10.926 1.00 23.22 C ATOM 0 H LEU A 27 0.272 -5.863 10.367 1.00 63.42 H new ATOM 0 HA LEU A 27 -2.522 -5.212 9.732 1.00 24.14 H new ATOM 0 HB2 LEU A 27 0.078 -4.324 8.408 1.00 63.21 H new ATOM 0 HB3 LEU A 27 -1.506 -3.604 8.198 1.00 63.21 H new ATOM 0 HG LEU A 27 0.210 -3.517 10.709 1.00 64.41 H new ATOM 0 HD11 LEU A 27 0.272 -1.073 10.309 1.00 63.31 H new ATOM 0 HD12 LEU A 27 0.992 -1.994 8.967 1.00 63.31 H new ATOM 0 HD13 LEU A 27 -0.642 -1.308 8.801 1.00 63.31 H new ATOM 0 HD21 LEU A 27 -1.526 -2.057 11.706 1.00 23.22 H new ATOM 0 HD22 LEU A 27 -2.574 -2.361 10.300 1.00 23.22 H new ATOM 0 HD23 LEU A 27 -2.130 -3.700 11.385 1.00 23.22 H new ATOM 464 N GLU A 28 -2.676 -6.275 7.383 1.00 60.23 N ATOM 465 CA GLU A 28 -2.866 -7.091 6.171 1.00 5.54 C ATOM 466 C GLU A 28 -2.116 -6.461 4.995 1.00 41.23 C ATOM 467 O GLU A 28 -2.346 -5.297 4.675 1.00 55.11 O ATOM 468 CB GLU A 28 -4.385 -7.245 5.849 1.00 52.21 C ATOM 469 CG GLU A 28 -5.071 -8.445 6.532 1.00 32.32 C ATOM 470 CD GLU A 28 -4.553 -9.801 6.003 1.00 60.34 C ATOM 471 OE1 GLU A 28 -5.043 -10.263 4.941 1.00 61.31 O ATOM 472 OE2 GLU A 28 -3.631 -10.389 6.614 1.00 4.33 O ATOM 0 H GLU A 28 -3.440 -5.625 7.566 1.00 60.23 H new ATOM 0 HA GLU A 28 -2.459 -8.087 6.346 1.00 5.54 H new ATOM 0 HB2 GLU A 28 -4.900 -6.332 6.147 1.00 52.21 H new ATOM 0 HB3 GLU A 28 -4.506 -7.341 4.770 1.00 52.21 H new ATOM 0 HG2 GLU A 28 -4.905 -8.391 7.608 1.00 32.32 H new ATOM 0 HG3 GLU A 28 -6.147 -8.383 6.372 1.00 32.32 H new ATOM 479 N LEU A 29 -1.210 -7.230 4.370 1.00 42.44 N ATOM 480 CA LEU A 29 -0.477 -6.776 3.178 1.00 14.54 C ATOM 481 C LEU A 29 -1.120 -7.368 1.912 1.00 64.53 C ATOM 482 O LEU A 29 -1.728 -8.448 1.945 1.00 60.41 O ATOM 483 CB LEU A 29 1.024 -7.193 3.226 1.00 2.03 C ATOM 484 CG LEU A 29 1.938 -6.533 2.125 1.00 53.24 C ATOM 485 CD1 LEU A 29 2.263 -5.066 2.454 1.00 11.15 C ATOM 486 CD2 LEU A 29 3.216 -7.344 1.853 1.00 63.52 C ATOM 0 H LEU A 29 -0.967 -8.173 4.673 1.00 42.44 H new ATOM 0 HA LEU A 29 -0.530 -5.687 3.157 1.00 14.54 H new ATOM 0 HB2 LEU A 29 1.424 -6.939 4.208 1.00 2.03 H new ATOM 0 HB3 LEU A 29 1.087 -8.277 3.126 1.00 2.03 H new ATOM 0 HG LEU A 29 1.358 -6.542 1.202 1.00 53.24 H new ATOM 0 HD11 LEU A 29 2.895 -4.649 1.670 1.00 11.15 H new ATOM 0 HD12 LEU A 29 1.338 -4.494 2.517 1.00 11.15 H new ATOM 0 HD13 LEU A 29 2.787 -5.015 3.408 1.00 11.15 H new ATOM 0 HD21 LEU A 29 3.808 -6.844 1.087 1.00 63.52 H new ATOM 0 HD22 LEU A 29 3.800 -7.421 2.770 1.00 63.52 H new ATOM 0 HD23 LEU A 29 2.947 -8.343 1.509 1.00 63.52 H new ATOM 498 N ARG A 30 -0.983 -6.633 0.816 1.00 50.11 N ATOM 499 CA ARG A 30 -1.276 -7.092 -0.541 1.00 41.53 C ATOM 500 C ARG A 30 -0.066 -6.700 -1.399 1.00 21.34 C ATOM 501 O ARG A 30 0.258 -5.504 -1.481 1.00 65.52 O ATOM 502 CB ARG A 30 -2.548 -6.400 -1.092 1.00 2.44 C ATOM 503 CG ARG A 30 -3.857 -6.632 -0.302 1.00 11.42 C ATOM 504 CD ARG A 30 -4.399 -8.061 -0.450 1.00 25.20 C ATOM 505 NE ARG A 30 -5.666 -8.246 0.278 1.00 64.01 N ATOM 506 CZ ARG A 30 -5.794 -8.768 1.509 1.00 43.01 C ATOM 507 NH1 ARG A 30 -4.733 -9.156 2.211 1.00 71.44 N ATOM 508 NH2 ARG A 30 -7.002 -8.919 2.016 1.00 65.43 N ATOM 0 H ARG A 30 -0.654 -5.668 0.845 1.00 50.11 H new ATOM 0 HA ARG A 30 -1.454 -8.167 -0.555 1.00 41.53 H new ATOM 0 HB2 ARG A 30 -2.361 -5.327 -1.135 1.00 2.44 H new ATOM 0 HB3 ARG A 30 -2.703 -6.738 -2.117 1.00 2.44 H new ATOM 0 HG2 ARG A 30 -3.680 -6.423 0.753 1.00 11.42 H new ATOM 0 HG3 ARG A 30 -4.612 -5.925 -0.645 1.00 11.42 H new ATOM 0 HD2 ARG A 30 -4.551 -8.284 -1.506 1.00 25.20 H new ATOM 0 HD3 ARG A 30 -3.660 -8.770 -0.078 1.00 25.20 H new ATOM 0 HE ARG A 30 -6.521 -7.952 -0.194 1.00 64.01 H new ATOM 0 HH11 ARG A 30 -3.797 -9.060 1.816 1.00 71.44 H new ATOM 0 HH12 ARG A 30 -4.855 -9.550 3.144 1.00 71.44 H new ATOM 0 HH21 ARG A 30 -7.821 -8.641 1.475 1.00 65.43 H new ATOM 0 HH22 ARG A 30 -7.118 -9.314 2.949 1.00 65.43 H new ATOM 522 N THR A 31 0.623 -7.685 -1.995 1.00 14.31 N ATOM 523 CA THR A 31 1.722 -7.413 -2.925 1.00 41.44 C ATOM 524 C THR A 31 1.113 -7.071 -4.293 1.00 41.41 C ATOM 525 O THR A 31 0.530 -7.933 -4.964 1.00 54.41 O ATOM 526 CB THR A 31 2.701 -8.637 -3.027 1.00 73.14 C ATOM 527 OG1 THR A 31 1.964 -9.829 -3.348 1.00 33.22 O ATOM 528 CG2 THR A 31 3.473 -8.860 -1.711 1.00 12.22 C ATOM 0 H THR A 31 0.436 -8.677 -1.847 1.00 14.31 H new ATOM 0 HA THR A 31 2.314 -6.573 -2.562 1.00 41.44 H new ATOM 0 HB THR A 31 3.421 -8.417 -3.815 1.00 73.14 H new ATOM 0 HG1 THR A 31 1.248 -9.611 -3.981 1.00 33.22 H new ATOM 0 HG21 THR A 31 4.140 -9.715 -1.821 1.00 12.22 H new ATOM 0 HG22 THR A 31 4.059 -7.971 -1.478 1.00 12.22 H new ATOM 0 HG23 THR A 31 2.767 -9.052 -0.903 1.00 12.22 H new ATOM 536 N VAL A 32 1.241 -5.799 -4.684 1.00 2.23 N ATOM 537 CA VAL A 32 0.615 -5.261 -5.892 1.00 0.34 C ATOM 538 C VAL A 32 1.595 -5.351 -7.067 1.00 43.12 C ATOM 539 O VAL A 32 2.650 -4.705 -7.064 1.00 52.51 O ATOM 540 CB VAL A 32 0.151 -3.781 -5.681 1.00 22.44 C ATOM 541 CG1 VAL A 32 -0.575 -3.242 -6.928 1.00 10.12 C ATOM 542 CG2 VAL A 32 -0.729 -3.655 -4.420 1.00 24.42 C ATOM 0 H VAL A 32 1.786 -5.110 -4.166 1.00 2.23 H new ATOM 0 HA VAL A 32 -0.270 -5.857 -6.115 1.00 0.34 H new ATOM 0 HB VAL A 32 1.040 -3.168 -5.530 1.00 22.44 H new ATOM 0 HG11 VAL A 32 -0.885 -2.212 -6.752 1.00 10.12 H new ATOM 0 HG12 VAL A 32 0.098 -3.276 -7.784 1.00 10.12 H new ATOM 0 HG13 VAL A 32 -1.453 -3.856 -7.132 1.00 10.12 H new ATOM 0 HG21 VAL A 32 -1.039 -2.618 -4.295 1.00 24.42 H new ATOM 0 HG22 VAL A 32 -1.611 -4.287 -4.527 1.00 24.42 H new ATOM 0 HG23 VAL A 32 -0.160 -3.972 -3.546 1.00 24.42 H new ATOM 552 N LYS A 33 1.216 -6.161 -8.056 1.00 53.34 N ATOM 553 CA LYS A 33 2.015 -6.416 -9.260 1.00 70.04 C ATOM 554 C LYS A 33 1.956 -5.191 -10.185 1.00 74.44 C ATOM 555 O LYS A 33 2.987 -4.640 -10.593 1.00 12.41 O ATOM 556 CB LYS A 33 1.448 -7.671 -9.977 1.00 12.11 C ATOM 557 CG LYS A 33 1.245 -8.895 -9.049 1.00 41.32 C ATOM 558 CD LYS A 33 0.344 -9.978 -9.692 1.00 22.15 C ATOM 559 CE LYS A 33 -0.022 -11.111 -8.718 1.00 11.42 C ATOM 560 NZ LYS A 33 -1.078 -11.997 -9.285 1.00 2.22 N ATOM 0 H LYS A 33 0.331 -6.668 -8.045 1.00 53.34 H new ATOM 0 HA LYS A 33 3.056 -6.595 -8.993 1.00 70.04 H new ATOM 0 HB2 LYS A 33 0.493 -7.414 -10.435 1.00 12.11 H new ATOM 0 HB3 LYS A 33 2.124 -7.950 -10.785 1.00 12.11 H new ATOM 0 HG2 LYS A 33 2.215 -9.329 -8.807 1.00 41.32 H new ATOM 0 HG3 LYS A 33 0.800 -8.566 -8.110 1.00 41.32 H new ATOM 0 HD2 LYS A 33 -0.571 -9.511 -10.058 1.00 22.15 H new ATOM 0 HD3 LYS A 33 0.855 -10.401 -10.557 1.00 22.15 H new ATOM 0 HE2 LYS A 33 0.867 -11.700 -8.493 1.00 11.42 H new ATOM 0 HE3 LYS A 33 -0.369 -10.685 -7.777 1.00 11.42 H new ATOM 0 HZ1 LYS A 33 -1.302 -12.750 -8.604 1.00 2.22 H new ATOM 0 HZ2 LYS A 33 -1.934 -11.438 -9.477 1.00 2.22 H new ATOM 0 HZ3 LYS A 33 -0.736 -12.422 -10.171 1.00 2.22 H new ATOM 574 N THR A 34 0.715 -4.773 -10.491 1.00 52.43 N ATOM 575 CA THR A 34 0.420 -3.683 -11.435 1.00 1.13 C ATOM 576 C THR A 34 -0.771 -2.845 -10.937 1.00 30.44 C ATOM 577 O THR A 34 -1.402 -3.174 -9.930 1.00 3.42 O ATOM 578 CB THR A 34 0.086 -4.254 -12.858 1.00 13.34 C ATOM 579 OG1 THR A 34 -0.927 -5.269 -12.739 1.00 32.35 O ATOM 580 CG2 THR A 34 1.321 -4.833 -13.579 1.00 30.44 C ATOM 0 H THR A 34 -0.122 -5.189 -10.083 1.00 52.43 H new ATOM 0 HA THR A 34 1.306 -3.052 -11.501 1.00 1.13 H new ATOM 0 HB THR A 34 -0.273 -3.422 -13.464 1.00 13.34 H new ATOM 0 HG1 THR A 34 -1.138 -5.626 -13.627 1.00 32.35 H new ATOM 0 HG21 THR A 34 1.026 -5.212 -14.558 1.00 30.44 H new ATOM 0 HG22 THR A 34 2.070 -4.051 -13.703 1.00 30.44 H new ATOM 0 HG23 THR A 34 1.741 -5.646 -12.986 1.00 30.44 H new ATOM 588 N GLU A 35 -1.079 -1.774 -11.691 1.00 34.14 N ATOM 589 CA GLU A 35 -2.222 -0.873 -11.428 1.00 70.43 C ATOM 590 C GLU A 35 -3.579 -1.627 -11.488 1.00 41.53 C ATOM 591 O GLU A 35 -4.522 -1.265 -10.786 1.00 23.40 O ATOM 592 CB GLU A 35 -2.214 0.331 -12.423 1.00 34.11 C ATOM 593 CG GLU A 35 -2.589 0.010 -13.892 1.00 71.04 C ATOM 594 CD GLU A 35 -1.701 -1.065 -14.559 1.00 23.14 C ATOM 595 OE1 GLU A 35 -0.474 -0.850 -14.668 1.00 1.35 O ATOM 596 OE2 GLU A 35 -2.214 -2.133 -14.944 1.00 54.40 O ATOM 0 H GLU A 35 -0.536 -1.504 -12.511 1.00 34.14 H new ATOM 0 HA GLU A 35 -2.109 -0.489 -10.414 1.00 70.43 H new ATOM 0 HB2 GLU A 35 -2.905 1.087 -12.051 1.00 34.11 H new ATOM 0 HB3 GLU A 35 -1.219 0.776 -12.413 1.00 34.11 H new ATOM 0 HG2 GLU A 35 -3.627 -0.322 -13.925 1.00 71.04 H new ATOM 0 HG3 GLU A 35 -2.529 0.927 -14.478 1.00 71.04 H new ATOM 603 N ASP A 36 -3.647 -2.678 -12.331 1.00 20.14 N ATOM 604 CA ASP A 36 -4.818 -3.573 -12.448 1.00 42.54 C ATOM 605 C ASP A 36 -5.077 -4.314 -11.123 1.00 65.11 C ATOM 606 O ASP A 36 -6.217 -4.399 -10.655 1.00 22.12 O ATOM 607 CB ASP A 36 -4.577 -4.574 -13.604 1.00 1.14 C ATOM 608 CG ASP A 36 -5.718 -5.590 -13.780 1.00 53.01 C ATOM 609 OD1 ASP A 36 -6.789 -5.210 -14.290 1.00 35.44 O ATOM 610 OD2 ASP A 36 -5.555 -6.770 -13.402 1.00 34.32 O ATOM 0 H ASP A 36 -2.882 -2.932 -12.957 1.00 20.14 H new ATOM 0 HA ASP A 36 -5.705 -2.979 -12.667 1.00 42.54 H new ATOM 0 HB2 ASP A 36 -4.447 -4.020 -14.534 1.00 1.14 H new ATOM 0 HB3 ASP A 36 -3.647 -5.112 -13.421 1.00 1.14 H new ATOM 615 N GLU A 37 -3.986 -4.815 -10.520 1.00 24.25 N ATOM 616 CA GLU A 37 -4.024 -5.486 -9.213 1.00 14.10 C ATOM 617 C GLU A 37 -4.383 -4.496 -8.098 1.00 21.45 C ATOM 618 O GLU A 37 -5.107 -4.850 -7.173 1.00 51.25 O ATOM 619 CB GLU A 37 -2.667 -6.168 -8.922 1.00 74.41 C ATOM 620 CG GLU A 37 -2.353 -7.346 -9.854 1.00 14.23 C ATOM 621 CD GLU A 37 -3.291 -8.552 -9.633 1.00 75.02 C ATOM 622 OE1 GLU A 37 -3.004 -9.383 -8.744 1.00 61.02 O ATOM 623 OE2 GLU A 37 -4.319 -8.669 -10.337 1.00 65.45 O ATOM 0 H GLU A 37 -3.052 -4.765 -10.927 1.00 24.25 H new ATOM 0 HA GLU A 37 -4.799 -6.252 -9.243 1.00 14.10 H new ATOM 0 HB2 GLU A 37 -1.873 -5.427 -9.008 1.00 74.41 H new ATOM 0 HB3 GLU A 37 -2.662 -6.521 -7.891 1.00 74.41 H new ATOM 0 HG2 GLU A 37 -2.433 -7.015 -10.889 1.00 14.23 H new ATOM 0 HG3 GLU A 37 -1.321 -7.661 -9.698 1.00 14.23 H new ATOM 630 N LEU A 38 -3.887 -3.253 -8.231 1.00 30.54 N ATOM 631 CA LEU A 38 -4.161 -2.155 -7.289 1.00 53.42 C ATOM 632 C LEU A 38 -5.689 -1.925 -7.209 1.00 72.32 C ATOM 633 O LEU A 38 -6.269 -1.921 -6.118 1.00 35.12 O ATOM 634 CB LEU A 38 -3.389 -0.875 -7.766 1.00 11.34 C ATOM 635 CG LEU A 38 -3.120 0.274 -6.727 1.00 13.41 C ATOM 636 CD1 LEU A 38 -4.396 1.037 -6.314 1.00 20.45 C ATOM 637 CD2 LEU A 38 -2.365 -0.263 -5.492 1.00 64.10 C ATOM 0 H LEU A 38 -3.279 -2.981 -9.003 1.00 30.54 H new ATOM 0 HA LEU A 38 -3.813 -2.401 -6.286 1.00 53.42 H new ATOM 0 HB2 LEU A 38 -2.425 -1.198 -8.159 1.00 11.34 H new ATOM 0 HB3 LEU A 38 -3.945 -0.444 -8.599 1.00 11.34 H new ATOM 0 HG LEU A 38 -2.486 1.002 -7.234 1.00 13.41 H new ATOM 0 HD11 LEU A 38 -4.138 1.815 -5.596 1.00 20.45 H new ATOM 0 HD12 LEU A 38 -4.849 1.492 -7.195 1.00 20.45 H new ATOM 0 HD13 LEU A 38 -5.103 0.344 -5.859 1.00 20.45 H new ATOM 0 HD21 LEU A 38 -2.191 0.552 -4.789 1.00 64.10 H new ATOM 0 HD22 LEU A 38 -2.961 -1.038 -5.010 1.00 64.10 H new ATOM 0 HD23 LEU A 38 -1.409 -0.683 -5.804 1.00 64.10 H new ATOM 649 N LYS A 39 -6.321 -1.819 -8.395 1.00 60.32 N ATOM 650 CA LYS A 39 -7.779 -1.616 -8.536 1.00 2.55 C ATOM 651 C LYS A 39 -8.565 -2.818 -7.995 1.00 31.52 C ATOM 652 O LYS A 39 -9.580 -2.644 -7.320 1.00 2.14 O ATOM 653 CB LYS A 39 -8.154 -1.408 -10.021 1.00 14.54 C ATOM 654 CG LYS A 39 -7.533 -0.158 -10.662 1.00 62.45 C ATOM 655 CD LYS A 39 -7.817 -0.056 -12.178 1.00 75.51 C ATOM 656 CE LYS A 39 -9.316 0.049 -12.493 1.00 54.41 C ATOM 657 NZ LYS A 39 -9.569 0.123 -13.954 1.00 44.51 N ATOM 0 H LYS A 39 -5.832 -1.872 -9.288 1.00 60.32 H new ATOM 0 HA LYS A 39 -8.040 -0.730 -7.958 1.00 2.55 H new ATOM 0 HB2 LYS A 39 -7.843 -2.285 -10.588 1.00 14.54 H new ATOM 0 HB3 LYS A 39 -9.239 -1.343 -10.104 1.00 14.54 H new ATOM 0 HG2 LYS A 39 -7.921 0.731 -10.164 1.00 62.45 H new ATOM 0 HG3 LYS A 39 -6.455 -0.170 -10.499 1.00 62.45 H new ATOM 0 HD2 LYS A 39 -7.303 0.816 -12.582 1.00 75.51 H new ATOM 0 HD3 LYS A 39 -7.404 -0.931 -12.681 1.00 75.51 H new ATOM 0 HE2 LYS A 39 -9.836 -0.814 -12.077 1.00 54.41 H new ATOM 0 HE3 LYS A 39 -9.728 0.934 -12.008 1.00 54.41 H new ATOM 0 HZ1 LYS A 39 -10.592 0.193 -14.126 1.00 44.51 H new ATOM 0 HZ2 LYS A 39 -9.094 0.961 -14.347 1.00 44.51 H new ATOM 0 HZ3 LYS A 39 -9.198 -0.733 -14.414 1.00 44.51 H new ATOM 671 N LYS A 40 -8.071 -4.030 -8.302 1.00 2.11 N ATOM 672 CA LYS A 40 -8.725 -5.299 -7.939 1.00 1.44 C ATOM 673 C LYS A 40 -8.828 -5.438 -6.410 1.00 13.54 C ATOM 674 O LYS A 40 -9.868 -5.838 -5.875 1.00 64.33 O ATOM 675 CB LYS A 40 -7.920 -6.467 -8.559 1.00 61.15 C ATOM 676 CG LYS A 40 -8.555 -7.864 -8.395 1.00 54.20 C ATOM 677 CD LYS A 40 -7.764 -8.998 -9.108 1.00 41.13 C ATOM 678 CE LYS A 40 -7.806 -8.930 -10.654 1.00 44.14 C ATOM 679 NZ LYS A 40 -6.993 -7.810 -11.212 1.00 13.32 N ATOM 0 H LYS A 40 -7.198 -4.157 -8.814 1.00 2.11 H new ATOM 0 HA LYS A 40 -9.742 -5.318 -8.332 1.00 1.44 H new ATOM 0 HB2 LYS A 40 -7.785 -6.270 -9.622 1.00 61.15 H new ATOM 0 HB3 LYS A 40 -6.927 -6.482 -8.109 1.00 61.15 H new ATOM 0 HG2 LYS A 40 -8.629 -8.097 -7.333 1.00 54.20 H new ATOM 0 HG3 LYS A 40 -9.571 -7.840 -8.788 1.00 54.20 H new ATOM 0 HD2 LYS A 40 -6.724 -8.960 -8.783 1.00 41.13 H new ATOM 0 HD3 LYS A 40 -8.163 -9.960 -8.787 1.00 41.13 H new ATOM 0 HE2 LYS A 40 -7.444 -9.873 -11.063 1.00 44.14 H new ATOM 0 HE3 LYS A 40 -8.840 -8.818 -10.979 1.00 44.14 H new ATOM 0 HZ1 LYS A 40 -6.498 -8.133 -12.068 1.00 13.32 H new ATOM 0 HZ2 LYS A 40 -7.618 -7.014 -11.453 1.00 13.32 H new ATOM 0 HZ3 LYS A 40 -6.296 -7.501 -10.505 1.00 13.32 H new ATOM 693 N TYR A 41 -7.740 -5.056 -5.723 1.00 22.32 N ATOM 694 CA TYR A 41 -7.666 -5.080 -4.254 1.00 2.22 C ATOM 695 C TYR A 41 -8.583 -3.992 -3.653 1.00 61.42 C ATOM 696 O TYR A 41 -9.214 -4.206 -2.614 1.00 33.11 O ATOM 697 CB TYR A 41 -6.198 -4.902 -3.776 1.00 2.42 C ATOM 698 CG TYR A 41 -5.195 -5.960 -4.309 1.00 43.11 C ATOM 699 CD1 TYR A 41 -5.606 -7.232 -4.740 1.00 23.14 C ATOM 700 CD2 TYR A 41 -3.829 -5.677 -4.382 1.00 3.42 C ATOM 701 CE1 TYR A 41 -4.693 -8.164 -5.214 1.00 72.23 C ATOM 702 CE2 TYR A 41 -2.919 -6.608 -4.853 1.00 61.41 C ATOM 703 CZ TYR A 41 -3.356 -7.845 -5.270 1.00 0.30 C ATOM 704 OH TYR A 41 -2.447 -8.769 -5.741 1.00 2.33 O ATOM 0 H TYR A 41 -6.887 -4.722 -6.171 1.00 22.32 H new ATOM 0 HA TYR A 41 -8.015 -6.051 -3.903 1.00 2.22 H new ATOM 0 HB2 TYR A 41 -5.852 -3.913 -4.077 1.00 2.42 H new ATOM 0 HB3 TYR A 41 -6.182 -4.927 -2.686 1.00 2.42 H new ATOM 0 HD1 TYR A 41 -6.654 -7.490 -4.702 1.00 23.14 H new ATOM 0 HD2 TYR A 41 -3.474 -4.708 -4.063 1.00 3.42 H new ATOM 0 HE1 TYR A 41 -5.031 -9.137 -5.538 1.00 72.23 H new ATOM 0 HE2 TYR A 41 -1.868 -6.364 -4.893 1.00 61.41 H new ATOM 0 HH TYR A 41 -2.640 -8.968 -6.681 1.00 2.33 H new ATOM 714 N LEU A 42 -8.656 -2.831 -4.336 1.00 34.12 N ATOM 715 CA LEU A 42 -9.580 -1.738 -3.963 1.00 12.41 C ATOM 716 C LEU A 42 -11.061 -2.196 -4.021 1.00 43.43 C ATOM 717 O LEU A 42 -11.852 -1.806 -3.164 1.00 44.51 O ATOM 718 CB LEU A 42 -9.360 -0.486 -4.853 1.00 30.51 C ATOM 719 CG LEU A 42 -8.020 0.294 -4.654 1.00 54.13 C ATOM 720 CD1 LEU A 42 -7.896 1.445 -5.678 1.00 71.13 C ATOM 721 CD2 LEU A 42 -7.875 0.818 -3.206 1.00 42.42 C ATOM 0 H LEU A 42 -8.082 -2.625 -5.154 1.00 34.12 H new ATOM 0 HA LEU A 42 -9.355 -1.466 -2.932 1.00 12.41 H new ATOM 0 HB2 LEU A 42 -9.421 -0.796 -5.896 1.00 30.51 H new ATOM 0 HB3 LEU A 42 -10.185 0.205 -4.677 1.00 30.51 H new ATOM 0 HG LEU A 42 -7.203 -0.405 -4.829 1.00 54.13 H new ATOM 0 HD11 LEU A 42 -6.956 1.973 -5.520 1.00 71.13 H new ATOM 0 HD12 LEU A 42 -7.917 1.037 -6.688 1.00 71.13 H new ATOM 0 HD13 LEU A 42 -8.727 2.138 -5.549 1.00 71.13 H new ATOM 0 HD21 LEU A 42 -6.932 1.355 -3.106 1.00 42.42 H new ATOM 0 HD22 LEU A 42 -8.701 1.491 -2.978 1.00 42.42 H new ATOM 0 HD23 LEU A 42 -7.890 -0.022 -2.512 1.00 42.42 H new ATOM 733 N GLU A 43 -11.411 -3.043 -5.018 1.00 12.21 N ATOM 734 CA GLU A 43 -12.777 -3.616 -5.159 1.00 1.13 C ATOM 735 C GLU A 43 -13.168 -4.446 -3.916 1.00 1.44 C ATOM 736 O GLU A 43 -14.330 -4.422 -3.489 1.00 50.13 O ATOM 737 CB GLU A 43 -12.890 -4.487 -6.438 1.00 33.34 C ATOM 738 CG GLU A 43 -12.620 -3.728 -7.752 1.00 60.14 C ATOM 739 CD GLU A 43 -12.799 -4.599 -9.007 1.00 43.14 C ATOM 740 OE1 GLU A 43 -12.016 -5.560 -9.187 1.00 45.11 O ATOM 741 OE2 GLU A 43 -13.724 -4.338 -9.814 1.00 43.53 O ATOM 0 H GLU A 43 -10.762 -3.348 -5.743 1.00 12.21 H new ATOM 0 HA GLU A 43 -13.471 -2.780 -5.247 1.00 1.13 H new ATOM 0 HB2 GLU A 43 -12.187 -5.317 -6.361 1.00 33.34 H new ATOM 0 HB3 GLU A 43 -13.890 -4.919 -6.481 1.00 33.34 H new ATOM 0 HG2 GLU A 43 -13.292 -2.872 -7.814 1.00 60.14 H new ATOM 0 HG3 GLU A 43 -11.604 -3.334 -7.734 1.00 60.14 H new ATOM 748 N GLU A 44 -12.167 -5.147 -3.339 1.00 54.41 N ATOM 749 CA GLU A 44 -12.308 -5.846 -2.045 1.00 23.45 C ATOM 750 C GLU A 44 -12.622 -4.830 -0.932 1.00 13.45 C ATOM 751 O GLU A 44 -13.584 -4.998 -0.174 1.00 75.12 O ATOM 752 CB GLU A 44 -11.012 -6.649 -1.707 1.00 40.25 C ATOM 753 CG GLU A 44 -10.937 -7.214 -0.264 1.00 72.23 C ATOM 754 CD GLU A 44 -9.612 -7.930 0.061 1.00 20.53 C ATOM 755 OE1 GLU A 44 -8.545 -7.299 -0.038 1.00 40.21 O ATOM 756 OE2 GLU A 44 -9.622 -9.131 0.412 1.00 24.53 O ATOM 0 H GLU A 44 -11.242 -5.243 -3.757 1.00 54.41 H new ATOM 0 HA GLU A 44 -13.133 -6.554 -2.118 1.00 23.45 H new ATOM 0 HB2 GLU A 44 -10.925 -7.478 -2.409 1.00 40.25 H new ATOM 0 HB3 GLU A 44 -10.151 -6.002 -1.871 1.00 40.25 H new ATOM 0 HG2 GLU A 44 -11.079 -6.397 0.443 1.00 72.23 H new ATOM 0 HG3 GLU A 44 -11.761 -7.912 -0.115 1.00 72.23 H new ATOM 763 N PHE A 45 -11.824 -3.747 -0.895 1.00 61.40 N ATOM 764 CA PHE A 45 -11.924 -2.694 0.147 1.00 73.31 C ATOM 765 C PHE A 45 -13.229 -1.882 0.054 1.00 12.32 C ATOM 766 O PHE A 45 -13.562 -1.146 0.983 1.00 22.45 O ATOM 767 CB PHE A 45 -10.702 -1.741 0.067 1.00 1.31 C ATOM 768 CG PHE A 45 -9.336 -2.436 0.086 1.00 33.21 C ATOM 769 CD1 PHE A 45 -9.145 -3.662 0.731 1.00 74.04 C ATOM 770 CD2 PHE A 45 -8.248 -1.873 -0.571 1.00 64.23 C ATOM 771 CE1 PHE A 45 -7.915 -4.279 0.720 1.00 24.11 C ATOM 772 CE2 PHE A 45 -7.022 -2.499 -0.578 1.00 65.30 C ATOM 773 CZ PHE A 45 -6.857 -3.706 0.063 1.00 13.54 C ATOM 0 H PHE A 45 -11.091 -3.572 -1.583 1.00 61.40 H new ATOM 0 HA PHE A 45 -11.933 -3.205 1.110 1.00 73.31 H new ATOM 0 HB2 PHE A 45 -10.780 -1.151 -0.846 1.00 1.31 H new ATOM 0 HB3 PHE A 45 -10.749 -1.043 0.903 1.00 1.31 H new ATOM 0 HD1 PHE A 45 -9.972 -4.130 1.244 1.00 74.04 H new ATOM 0 HD2 PHE A 45 -8.366 -0.930 -1.084 1.00 64.23 H new ATOM 0 HE1 PHE A 45 -7.782 -5.221 1.232 1.00 24.11 H new ATOM 0 HE2 PHE A 45 -6.187 -2.042 -1.088 1.00 65.30 H new ATOM 0 HZ PHE A 45 -5.897 -4.200 0.048 1.00 13.54 H new ATOM 783 N ARG A 46 -13.931 -1.990 -1.087 1.00 12.41 N ATOM 784 CA ARG A 46 -15.266 -1.392 -1.266 1.00 42.24 C ATOM 785 C ARG A 46 -16.321 -2.247 -0.528 1.00 4.54 C ATOM 786 O ARG A 46 -17.121 -1.714 0.258 1.00 60.11 O ATOM 787 CB ARG A 46 -15.607 -1.261 -2.780 1.00 23.15 C ATOM 788 CG ARG A 46 -14.651 -0.331 -3.555 1.00 63.10 C ATOM 789 CD ARG A 46 -14.972 -0.223 -5.053 1.00 62.22 C ATOM 790 NE ARG A 46 -16.254 0.458 -5.310 1.00 43.21 N ATOM 791 CZ ARG A 46 -16.593 1.074 -6.459 1.00 4.02 C ATOM 792 NH1 ARG A 46 -15.757 1.115 -7.496 1.00 22.32 N ATOM 793 NH2 ARG A 46 -17.771 1.659 -6.553 1.00 33.22 N ATOM 0 H ARG A 46 -13.591 -2.492 -1.908 1.00 12.41 H new ATOM 0 HA ARG A 46 -15.271 -0.389 -0.838 1.00 42.24 H new ATOM 0 HB2 ARG A 46 -15.584 -2.251 -3.235 1.00 23.15 H new ATOM 0 HB3 ARG A 46 -16.626 -0.887 -2.882 1.00 23.15 H new ATOM 0 HG2 ARG A 46 -14.689 0.664 -3.112 1.00 63.10 H new ATOM 0 HG3 ARG A 46 -13.630 -0.694 -3.437 1.00 63.10 H new ATOM 0 HD2 ARG A 46 -14.170 0.319 -5.555 1.00 62.22 H new ATOM 0 HD3 ARG A 46 -15.002 -1.222 -5.487 1.00 62.22 H new ATOM 0 HE ARG A 46 -16.941 0.463 -4.556 1.00 43.21 H new ATOM 0 HH11 ARG A 46 -14.840 0.674 -7.429 1.00 22.32 H new ATOM 0 HH12 ARG A 46 -16.035 1.587 -8.357 1.00 22.32 H new ATOM 0 HH21 ARG A 46 -18.414 1.642 -5.761 1.00 33.22 H new ATOM 0 HH22 ARG A 46 -18.040 2.129 -7.418 1.00 33.22 H new ATOM 807 N LYS A 47 -16.262 -3.587 -0.752 1.00 30.22 N ATOM 808 CA LYS A 47 -17.203 -4.570 -0.143 1.00 24.04 C ATOM 809 C LYS A 47 -17.243 -4.407 1.387 1.00 55.33 C ATOM 810 O LYS A 47 -18.312 -4.378 2.008 1.00 54.20 O ATOM 811 CB LYS A 47 -16.776 -6.038 -0.454 1.00 31.11 C ATOM 812 CG LYS A 47 -16.463 -6.357 -1.928 1.00 55.14 C ATOM 813 CD LYS A 47 -16.099 -7.851 -2.144 1.00 12.22 C ATOM 814 CE LYS A 47 -14.985 -8.360 -1.195 1.00 61.25 C ATOM 815 NZ LYS A 47 -14.569 -9.757 -1.506 1.00 2.21 N ATOM 0 H LYS A 47 -15.563 -4.017 -1.358 1.00 30.22 H new ATOM 0 HA LYS A 47 -18.185 -4.374 -0.574 1.00 24.04 H new ATOM 0 HB2 LYS A 47 -15.894 -6.272 0.142 1.00 31.11 H new ATOM 0 HB3 LYS A 47 -17.572 -6.704 -0.121 1.00 31.11 H new ATOM 0 HG2 LYS A 47 -17.326 -6.103 -2.543 1.00 55.14 H new ATOM 0 HG3 LYS A 47 -15.636 -5.732 -2.265 1.00 55.14 H new ATOM 0 HD2 LYS A 47 -16.993 -8.459 -2.001 1.00 12.22 H new ATOM 0 HD3 LYS A 47 -15.779 -7.993 -3.176 1.00 12.22 H new ATOM 0 HE2 LYS A 47 -14.120 -7.701 -1.268 1.00 61.25 H new ATOM 0 HE3 LYS A 47 -15.338 -8.309 -0.165 1.00 61.25 H new ATOM 0 HZ1 LYS A 47 -13.823 -10.052 -0.845 1.00 2.21 H new ATOM 0 HZ2 LYS A 47 -15.387 -10.392 -1.411 1.00 2.21 H new ATOM 0 HZ3 LYS A 47 -14.207 -9.803 -2.480 1.00 2.21 H new ATOM 829 N GLU A 48 -16.037 -4.279 1.960 1.00 14.44 N ATOM 830 CA GLU A 48 -15.816 -4.190 3.409 1.00 41.53 C ATOM 831 C GLU A 48 -15.206 -2.825 3.775 1.00 1.34 C ATOM 832 O GLU A 48 -14.301 -2.721 4.608 1.00 65.51 O ATOM 833 CB GLU A 48 -14.923 -5.379 3.855 1.00 53.13 C ATOM 834 CG GLU A 48 -13.570 -5.482 3.120 1.00 54.42 C ATOM 835 CD GLU A 48 -12.807 -6.756 3.489 1.00 3.33 C ATOM 836 OE1 GLU A 48 -12.230 -6.807 4.595 1.00 4.42 O ATOM 837 OE2 GLU A 48 -12.807 -7.724 2.695 1.00 73.12 O ATOM 0 H GLU A 48 -15.174 -4.234 1.419 1.00 14.44 H new ATOM 0 HA GLU A 48 -16.764 -4.260 3.942 1.00 41.53 H new ATOM 0 HB2 GLU A 48 -14.734 -5.292 4.925 1.00 53.13 H new ATOM 0 HB3 GLU A 48 -15.475 -6.307 3.703 1.00 53.13 H new ATOM 0 HG2 GLU A 48 -13.741 -5.462 2.044 1.00 54.42 H new ATOM 0 HG3 GLU A 48 -12.960 -4.612 3.362 1.00 54.42 H new ATOM 844 N SER A 49 -15.772 -1.763 3.172 1.00 44.20 N ATOM 845 CA SER A 49 -15.408 -0.364 3.480 1.00 62.40 C ATOM 846 C SER A 49 -15.801 0.091 4.916 1.00 61.10 C ATOM 847 O SER A 49 -15.511 1.231 5.293 1.00 71.51 O ATOM 848 CB SER A 49 -16.029 0.558 2.408 1.00 22.43 C ATOM 849 OG SER A 49 -17.420 0.324 2.263 1.00 34.24 O ATOM 0 H SER A 49 -16.495 -1.849 2.457 1.00 44.20 H new ATOM 0 HA SER A 49 -14.320 -0.295 3.456 1.00 62.40 H new ATOM 0 HB2 SER A 49 -15.861 1.600 2.681 1.00 22.43 H new ATOM 0 HB3 SER A 49 -15.530 0.394 1.453 1.00 22.43 H new ATOM 0 HG SER A 49 -17.567 -0.362 1.578 1.00 34.24 H new ATOM 855 N GLN A 50 -16.452 -0.802 5.697 1.00 21.31 N ATOM 856 CA GLN A 50 -16.817 -0.555 7.112 1.00 71.12 C ATOM 857 C GLN A 50 -15.562 -0.304 7.999 1.00 12.52 C ATOM 858 O GLN A 50 -14.899 -1.251 8.463 1.00 51.52 O ATOM 859 CB GLN A 50 -17.684 -1.738 7.663 1.00 0.04 C ATOM 860 CG GLN A 50 -17.070 -3.148 7.491 1.00 62.44 C ATOM 861 CD GLN A 50 -17.874 -4.247 8.193 1.00 13.21 C ATOM 862 OE1 GLN A 50 -18.773 -4.852 7.607 1.00 11.20 O ATOM 863 NE2 GLN A 50 -17.571 -4.493 9.460 1.00 64.11 N ATOM 0 H GLN A 50 -16.741 -1.721 5.361 1.00 21.31 H new ATOM 0 HA GLN A 50 -17.414 0.356 7.152 1.00 71.12 H new ATOM 0 HB2 GLN A 50 -17.868 -1.568 8.724 1.00 0.04 H new ATOM 0 HB3 GLN A 50 -18.653 -1.719 7.164 1.00 0.04 H new ATOM 0 HG2 GLN A 50 -17.001 -3.380 6.428 1.00 62.44 H new ATOM 0 HG3 GLN A 50 -16.053 -3.144 7.883 1.00 62.44 H new ATOM 0 HE21 GLN A 50 -16.820 -3.973 9.915 1.00 64.11 H new ATOM 0 HE22 GLN A 50 -18.088 -5.202 9.980 1.00 64.11 H new ATOM 872 N ASN A 51 -15.242 0.997 8.197 1.00 45.35 N ATOM 873 CA ASN A 51 -14.082 1.458 8.988 1.00 72.41 C ATOM 874 C ASN A 51 -12.772 0.822 8.471 1.00 23.11 C ATOM 875 O ASN A 51 -12.168 -0.046 9.124 1.00 14.14 O ATOM 876 CB ASN A 51 -14.294 1.207 10.516 1.00 65.22 C ATOM 877 CG ASN A 51 -15.410 2.062 11.127 1.00 34.50 C ATOM 878 OD1 ASN A 51 -15.660 3.186 10.691 1.00 72.55 O ATOM 879 ND2 ASN A 51 -16.084 1.542 12.142 1.00 53.31 N ATOM 0 H ASN A 51 -15.790 1.763 7.806 1.00 45.35 H new ATOM 0 HA ASN A 51 -13.993 2.536 8.856 1.00 72.41 H new ATOM 0 HB2 ASN A 51 -14.526 0.154 10.674 1.00 65.22 H new ATOM 0 HB3 ASN A 51 -13.362 1.411 11.042 1.00 65.22 H new ATOM 0 HD21 ASN A 51 -16.833 2.076 12.584 1.00 53.31 H new ATOM 0 HD22 ASN A 51 -15.854 0.608 12.482 1.00 53.31 H new ATOM 886 N ILE A 52 -12.371 1.238 7.265 1.00 61.35 N ATOM 887 CA ILE A 52 -11.168 0.731 6.595 1.00 1.34 C ATOM 888 C ILE A 52 -10.217 1.897 6.283 1.00 74.20 C ATOM 889 O ILE A 52 -10.652 3.040 6.115 1.00 62.34 O ATOM 890 CB ILE A 52 -11.543 -0.063 5.279 1.00 32.43 C ATOM 891 CG1 ILE A 52 -10.344 -0.917 4.757 1.00 62.30 C ATOM 892 CG2 ILE A 52 -12.060 0.886 4.159 1.00 23.13 C ATOM 893 CD1 ILE A 52 -10.712 -1.942 3.698 1.00 52.30 C ATOM 0 H ILE A 52 -12.875 1.940 6.723 1.00 61.35 H new ATOM 0 HA ILE A 52 -10.662 0.035 7.263 1.00 1.34 H new ATOM 0 HB ILE A 52 -12.352 -0.743 5.546 1.00 32.43 H new ATOM 0 HG12 ILE A 52 -9.588 -0.247 4.348 1.00 62.30 H new ATOM 0 HG13 ILE A 52 -9.888 -1.434 5.601 1.00 62.30 H new ATOM 0 HG21 ILE A 52 -12.307 0.302 3.272 1.00 23.13 H new ATOM 0 HG22 ILE A 52 -12.950 1.410 4.508 1.00 23.13 H new ATOM 0 HG23 ILE A 52 -11.286 1.612 3.911 1.00 23.13 H new ATOM 0 HD11 ILE A 52 -9.819 -2.488 3.394 1.00 52.30 H new ATOM 0 HD12 ILE A 52 -11.443 -2.640 4.106 1.00 52.30 H new ATOM 0 HD13 ILE A 52 -11.138 -1.434 2.833 1.00 52.30 H new ATOM 905 N LYS A 53 -8.919 1.601 6.261 1.00 43.20 N ATOM 906 CA LYS A 53 -7.875 2.517 5.789 1.00 71.50 C ATOM 907 C LYS A 53 -6.920 1.731 4.900 1.00 3.52 C ATOM 908 O LYS A 53 -6.640 0.550 5.167 1.00 1.01 O ATOM 909 CB LYS A 53 -7.087 3.157 6.965 1.00 64.12 C ATOM 910 CG LYS A 53 -7.901 4.124 7.841 1.00 41.42 C ATOM 911 CD LYS A 53 -7.042 4.842 8.905 1.00 13.00 C ATOM 912 CE LYS A 53 -7.858 5.859 9.722 1.00 12.13 C ATOM 913 NZ LYS A 53 -7.005 6.661 10.641 1.00 60.02 N ATOM 0 H LYS A 53 -8.554 0.702 6.576 1.00 43.20 H new ATOM 0 HA LYS A 53 -8.346 3.330 5.237 1.00 71.50 H new ATOM 0 HB2 LYS A 53 -6.695 2.360 7.597 1.00 64.12 H new ATOM 0 HB3 LYS A 53 -6.229 3.693 6.559 1.00 64.12 H new ATOM 0 HG2 LYS A 53 -8.378 4.869 7.204 1.00 41.42 H new ATOM 0 HG3 LYS A 53 -8.699 3.572 8.338 1.00 41.42 H new ATOM 0 HD2 LYS A 53 -6.608 4.103 9.578 1.00 13.00 H new ATOM 0 HD3 LYS A 53 -6.213 5.353 8.416 1.00 13.00 H new ATOM 0 HE2 LYS A 53 -8.385 6.529 9.042 1.00 12.13 H new ATOM 0 HE3 LYS A 53 -8.616 5.332 10.301 1.00 12.13 H new ATOM 0 HZ1 LYS A 53 -7.601 7.320 11.182 1.00 60.02 H new ATOM 0 HZ2 LYS A 53 -6.508 6.025 11.297 1.00 60.02 H new ATOM 0 HZ3 LYS A 53 -6.309 7.199 10.087 1.00 60.02 H new ATOM 927 N VAL A 54 -6.442 2.381 3.832 1.00 54.24 N ATOM 928 CA VAL A 54 -5.468 1.801 2.893 1.00 61.43 C ATOM 929 C VAL A 54 -4.215 2.699 2.819 1.00 11.01 C ATOM 930 O VAL A 54 -4.334 3.922 2.757 1.00 11.01 O ATOM 931 CB VAL A 54 -6.111 1.637 1.462 1.00 60.34 C ATOM 932 CG1 VAL A 54 -5.124 0.996 0.458 1.00 32.14 C ATOM 933 CG2 VAL A 54 -7.438 0.836 1.534 1.00 4.24 C ATOM 0 H VAL A 54 -6.721 3.332 3.591 1.00 54.24 H new ATOM 0 HA VAL A 54 -5.177 0.814 3.252 1.00 61.43 H new ATOM 0 HB VAL A 54 -6.341 2.637 1.094 1.00 60.34 H new ATOM 0 HG11 VAL A 54 -5.606 0.901 -0.515 1.00 32.14 H new ATOM 0 HG12 VAL A 54 -4.239 1.626 0.365 1.00 32.14 H new ATOM 0 HG13 VAL A 54 -4.831 0.009 0.816 1.00 32.14 H new ATOM 0 HG21 VAL A 54 -7.859 0.738 0.533 1.00 4.24 H new ATOM 0 HG22 VAL A 54 -7.243 -0.155 1.944 1.00 4.24 H new ATOM 0 HG23 VAL A 54 -8.146 1.361 2.176 1.00 4.24 H new ATOM 943 N LEU A 55 -3.024 2.075 2.882 1.00 3.42 N ATOM 944 CA LEU A 55 -1.727 2.751 2.690 1.00 21.31 C ATOM 945 C LEU A 55 -0.990 2.095 1.517 1.00 14.14 C ATOM 946 O LEU A 55 -0.643 0.918 1.599 1.00 44.41 O ATOM 947 CB LEU A 55 -0.862 2.633 3.970 1.00 42.21 C ATOM 948 CG LEU A 55 0.573 3.260 3.893 1.00 5.31 C ATOM 949 CD1 LEU A 55 0.544 4.802 3.945 1.00 4.52 C ATOM 950 CD2 LEU A 55 1.495 2.672 4.972 1.00 74.41 C ATOM 0 H LEU A 55 -2.934 1.076 3.070 1.00 3.42 H new ATOM 0 HA LEU A 55 -1.902 3.806 2.481 1.00 21.31 H new ATOM 0 HB2 LEU A 55 -1.399 3.106 4.792 1.00 42.21 H new ATOM 0 HB3 LEU A 55 -0.762 1.577 4.220 1.00 42.21 H new ATOM 0 HG LEU A 55 0.986 2.992 2.921 1.00 5.31 H new ATOM 0 HD11 LEU A 55 1.562 5.187 3.888 1.00 4.52 H new ATOM 0 HD12 LEU A 55 -0.036 5.184 3.104 1.00 4.52 H new ATOM 0 HD13 LEU A 55 0.085 5.126 4.879 1.00 4.52 H new ATOM 0 HD21 LEU A 55 2.483 3.126 4.893 1.00 74.41 H new ATOM 0 HD22 LEU A 55 1.078 2.878 5.958 1.00 74.41 H new ATOM 0 HD23 LEU A 55 1.579 1.594 4.831 1.00 74.41 H new ATOM 962 N ILE A 56 -0.734 2.855 0.443 1.00 32.22 N ATOM 963 CA ILE A 56 -0.043 2.342 -0.749 1.00 75.52 C ATOM 964 C ILE A 56 1.411 2.855 -0.758 1.00 51.31 C ATOM 965 O ILE A 56 1.628 4.062 -0.801 1.00 62.34 O ATOM 966 CB ILE A 56 -0.771 2.765 -2.084 1.00 42.22 C ATOM 967 CG1 ILE A 56 -2.277 2.363 -2.038 1.00 0.14 C ATOM 968 CG2 ILE A 56 -0.071 2.138 -3.325 1.00 52.34 C ATOM 969 CD1 ILE A 56 -3.097 2.793 -3.241 1.00 32.14 C ATOM 0 H ILE A 56 -0.998 3.838 0.376 1.00 32.22 H new ATOM 0 HA ILE A 56 -0.056 1.253 -0.702 1.00 75.52 H new ATOM 0 HB ILE A 56 -0.707 3.849 -2.175 1.00 42.22 H new ATOM 0 HG12 ILE A 56 -2.345 1.279 -1.941 1.00 0.14 H new ATOM 0 HG13 ILE A 56 -2.724 2.792 -1.141 1.00 0.14 H new ATOM 0 HG21 ILE A 56 -0.593 2.446 -4.231 1.00 52.34 H new ATOM 0 HG22 ILE A 56 0.964 2.477 -3.369 1.00 52.34 H new ATOM 0 HG23 ILE A 56 -0.093 1.051 -3.245 1.00 52.34 H new ATOM 0 HD11 ILE A 56 -4.129 2.467 -3.113 1.00 32.14 H new ATOM 0 HD12 ILE A 56 -3.068 3.879 -3.332 1.00 32.14 H new ATOM 0 HD13 ILE A 56 -2.683 2.343 -4.143 1.00 32.14 H new ATOM 981 N LEU A 57 2.397 1.933 -0.713 1.00 71.44 N ATOM 982 CA LEU A 57 3.823 2.285 -0.845 1.00 13.22 C ATOM 983 C LEU A 57 4.242 1.955 -2.267 1.00 61.12 C ATOM 984 O LEU A 57 4.301 0.781 -2.641 1.00 42.13 O ATOM 985 CB LEU A 57 4.741 1.506 0.156 1.00 34.31 C ATOM 986 CG LEU A 57 4.537 1.793 1.681 1.00 11.14 C ATOM 987 CD1 LEU A 57 4.502 3.307 1.976 1.00 21.12 C ATOM 988 CD2 LEU A 57 3.292 1.071 2.230 1.00 2.03 C ATOM 0 H LEU A 57 2.228 0.935 -0.586 1.00 71.44 H new ATOM 0 HA LEU A 57 3.939 3.344 -0.615 1.00 13.22 H new ATOM 0 HB2 LEU A 57 4.594 0.439 -0.010 1.00 34.31 H new ATOM 0 HB3 LEU A 57 5.779 1.727 -0.094 1.00 34.31 H new ATOM 0 HG LEU A 57 5.401 1.387 2.207 1.00 11.14 H new ATOM 0 HD11 LEU A 57 4.359 3.466 3.045 1.00 21.12 H new ATOM 0 HD12 LEU A 57 5.443 3.760 1.664 1.00 21.12 H new ATOM 0 HD13 LEU A 57 3.679 3.766 1.427 1.00 21.12 H new ATOM 0 HD21 LEU A 57 3.181 1.293 3.291 1.00 2.03 H new ATOM 0 HD22 LEU A 57 2.407 1.413 1.694 1.00 2.03 H new ATOM 0 HD23 LEU A 57 3.406 -0.005 2.094 1.00 2.03 H new ATOM 1000 N VAL A 58 4.536 2.988 -3.042 1.00 50.01 N ATOM 1001 CA VAL A 58 4.980 2.851 -4.427 1.00 20.11 C ATOM 1002 C VAL A 58 6.486 3.109 -4.493 1.00 14.22 C ATOM 1003 O VAL A 58 7.034 3.794 -3.636 1.00 24.54 O ATOM 1004 CB VAL A 58 4.217 3.853 -5.361 1.00 4.21 C ATOM 1005 CG1 VAL A 58 2.695 3.587 -5.337 1.00 20.23 C ATOM 1006 CG2 VAL A 58 4.520 5.314 -4.984 1.00 12.11 C ATOM 0 H VAL A 58 4.473 3.956 -2.727 1.00 50.01 H new ATOM 0 HA VAL A 58 4.762 1.841 -4.774 1.00 20.11 H new ATOM 0 HB VAL A 58 4.575 3.689 -6.377 1.00 4.21 H new ATOM 0 HG11 VAL A 58 2.191 4.296 -5.994 1.00 20.23 H new ATOM 0 HG12 VAL A 58 2.498 2.572 -5.680 1.00 20.23 H new ATOM 0 HG13 VAL A 58 2.321 3.705 -4.320 1.00 20.23 H new ATOM 0 HG21 VAL A 58 3.975 5.982 -5.651 1.00 12.11 H new ATOM 0 HG22 VAL A 58 4.210 5.496 -3.955 1.00 12.11 H new ATOM 0 HG23 VAL A 58 5.590 5.500 -5.079 1.00 12.11 H new ATOM 1016 N SER A 59 7.149 2.549 -5.497 1.00 42.44 N ATOM 1017 CA SER A 59 8.569 2.823 -5.745 1.00 12.14 C ATOM 1018 C SER A 59 8.712 4.018 -6.706 1.00 71.44 C ATOM 1019 O SER A 59 9.648 4.814 -6.593 1.00 12.33 O ATOM 1020 CB SER A 59 9.250 1.564 -6.317 1.00 43.13 C ATOM 1021 OG SER A 59 10.645 1.758 -6.506 1.00 22.03 O ATOM 0 H SER A 59 6.728 1.898 -6.159 1.00 42.44 H new ATOM 0 HA SER A 59 9.061 3.081 -4.807 1.00 12.14 H new ATOM 0 HB2 SER A 59 9.088 0.724 -5.641 1.00 43.13 H new ATOM 0 HB3 SER A 59 8.787 1.301 -7.268 1.00 43.13 H new ATOM 0 HG SER A 59 11.043 0.939 -6.868 1.00 22.03 H new ATOM 1027 N ASN A 60 7.746 4.140 -7.636 1.00 15.23 N ATOM 1028 CA ASN A 60 7.774 5.136 -8.727 1.00 74.44 C ATOM 1029 C ASN A 60 6.755 6.254 -8.453 1.00 34.02 C ATOM 1030 O ASN A 60 5.653 5.973 -7.973 1.00 54.40 O ATOM 1031 CB ASN A 60 7.423 4.447 -10.079 1.00 13.32 C ATOM 1032 CG ASN A 60 8.333 3.259 -10.425 1.00 35.44 C ATOM 1033 OD1 ASN A 60 9.507 3.222 -10.055 1.00 54.44 O ATOM 1034 ND2 ASN A 60 7.797 2.274 -11.136 1.00 3.13 N ATOM 0 H ASN A 60 6.917 3.546 -7.652 1.00 15.23 H new ATOM 0 HA ASN A 60 8.774 5.565 -8.781 1.00 74.44 H new ATOM 0 HB2 ASN A 60 6.390 4.102 -10.043 1.00 13.32 H new ATOM 0 HB3 ASN A 60 7.485 5.185 -10.879 1.00 13.32 H new ATOM 0 HD21 ASN A 60 8.360 1.462 -11.388 1.00 3.13 H new ATOM 0 HD22 ASN A 60 6.822 2.329 -11.430 1.00 3.13 H new ATOM 1041 N ASP A 61 7.118 7.516 -8.776 1.00 24.14 N ATOM 1042 CA ASP A 61 6.183 8.673 -8.720 1.00 53.43 C ATOM 1043 C ASP A 61 5.090 8.548 -9.792 1.00 62.11 C ATOM 1044 O ASP A 61 4.007 9.126 -9.658 1.00 63.40 O ATOM 1045 CB ASP A 61 6.938 10.026 -8.866 1.00 24.00 C ATOM 1046 CG ASP A 61 7.730 10.142 -10.174 1.00 72.35 C ATOM 1047 OD1 ASP A 61 7.161 10.592 -11.199 1.00 23.31 O ATOM 1048 OD2 ASP A 61 8.926 9.763 -10.188 1.00 41.33 O ATOM 0 H ASP A 61 8.059 7.765 -9.081 1.00 24.14 H new ATOM 0 HA ASP A 61 5.708 8.660 -7.739 1.00 53.43 H new ATOM 0 HB2 ASP A 61 6.219 10.843 -8.812 1.00 24.00 H new ATOM 0 HB3 ASP A 61 7.620 10.146 -8.025 1.00 24.00 H new ATOM 1053 N GLU A 62 5.417 7.804 -10.859 1.00 12.21 N ATOM 1054 CA GLU A 62 4.459 7.372 -11.883 1.00 64.35 C ATOM 1055 C GLU A 62 3.285 6.615 -11.223 1.00 4.24 C ATOM 1056 O GLU A 62 2.110 6.947 -11.427 1.00 35.40 O ATOM 1057 CB GLU A 62 5.207 6.469 -12.905 1.00 42.53 C ATOM 1058 CG GLU A 62 4.344 5.886 -14.037 1.00 64.42 C ATOM 1059 CD GLU A 62 3.621 6.955 -14.871 1.00 22.53 C ATOM 1060 OE1 GLU A 62 4.287 7.675 -15.641 1.00 52.34 O ATOM 1061 OE2 GLU A 62 2.385 7.070 -14.771 1.00 11.14 O ATOM 0 H GLU A 62 6.368 7.482 -11.036 1.00 12.21 H new ATOM 0 HA GLU A 62 4.043 8.235 -12.403 1.00 64.35 H new ATOM 0 HB2 GLU A 62 6.015 7.049 -13.351 1.00 42.53 H new ATOM 0 HB3 GLU A 62 5.669 5.644 -12.363 1.00 42.53 H new ATOM 0 HG2 GLU A 62 4.977 5.290 -14.695 1.00 64.42 H new ATOM 0 HG3 GLU A 62 3.604 5.210 -13.608 1.00 64.42 H new ATOM 1068 N GLU A 63 3.651 5.618 -10.396 1.00 43.23 N ATOM 1069 CA GLU A 63 2.704 4.774 -9.657 1.00 0.41 C ATOM 1070 C GLU A 63 2.072 5.505 -8.464 1.00 33.14 C ATOM 1071 O GLU A 63 0.986 5.133 -8.040 1.00 71.40 O ATOM 1072 CB GLU A 63 3.375 3.445 -9.239 1.00 21.11 C ATOM 1073 CG GLU A 63 3.899 2.622 -10.438 1.00 20.15 C ATOM 1074 CD GLU A 63 2.825 2.360 -11.523 1.00 3.42 C ATOM 1075 OE1 GLU A 63 2.088 1.358 -11.419 1.00 12.32 O ATOM 1076 OE2 GLU A 63 2.719 3.157 -12.490 1.00 43.11 O ATOM 0 H GLU A 63 4.627 5.376 -10.223 1.00 43.23 H new ATOM 0 HA GLU A 63 1.879 4.537 -10.329 1.00 0.41 H new ATOM 0 HB2 GLU A 63 4.204 3.661 -8.565 1.00 21.11 H new ATOM 0 HB3 GLU A 63 2.658 2.844 -8.680 1.00 21.11 H new ATOM 0 HG2 GLU A 63 4.740 3.148 -10.890 1.00 20.15 H new ATOM 0 HG3 GLU A 63 4.278 1.667 -10.075 1.00 20.15 H new ATOM 1083 N LEU A 64 2.782 6.500 -7.898 1.00 20.32 N ATOM 1084 CA LEU A 64 2.236 7.393 -6.849 1.00 44.34 C ATOM 1085 C LEU A 64 0.947 8.064 -7.350 1.00 53.12 C ATOM 1086 O LEU A 64 -0.133 7.889 -6.761 1.00 14.53 O ATOM 1087 CB LEU A 64 3.291 8.473 -6.460 1.00 13.34 C ATOM 1088 CG LEU A 64 2.900 9.474 -5.322 1.00 74.12 C ATOM 1089 CD1 LEU A 64 2.756 8.765 -3.962 1.00 21.42 C ATOM 1090 CD2 LEU A 64 3.902 10.646 -5.240 1.00 0.02 C ATOM 0 H LEU A 64 3.747 6.710 -8.152 1.00 20.32 H new ATOM 0 HA LEU A 64 2.003 6.799 -5.965 1.00 44.34 H new ATOM 0 HB2 LEU A 64 4.205 7.960 -6.160 1.00 13.34 H new ATOM 0 HB3 LEU A 64 3.528 9.052 -7.353 1.00 13.34 H new ATOM 0 HG LEU A 64 1.924 9.887 -5.575 1.00 74.12 H new ATOM 0 HD11 LEU A 64 2.484 9.494 -3.199 1.00 21.42 H new ATOM 0 HD12 LEU A 64 1.979 8.003 -4.029 1.00 21.42 H new ATOM 0 HD13 LEU A 64 3.703 8.296 -3.694 1.00 21.42 H new ATOM 0 HD21 LEU A 64 3.604 11.324 -4.441 1.00 0.02 H new ATOM 0 HD22 LEU A 64 4.900 10.258 -5.034 1.00 0.02 H new ATOM 0 HD23 LEU A 64 3.911 11.184 -6.188 1.00 0.02 H new ATOM 1102 N ASP A 65 1.077 8.768 -8.491 1.00 30.13 N ATOM 1103 CA ASP A 65 -0.046 9.446 -9.158 1.00 54.02 C ATOM 1104 C ASP A 65 -1.112 8.429 -9.586 1.00 74.45 C ATOM 1105 O ASP A 65 -2.304 8.661 -9.382 1.00 41.14 O ATOM 1106 CB ASP A 65 0.460 10.225 -10.395 1.00 34.41 C ATOM 1107 CG ASP A 65 -0.663 10.972 -11.140 1.00 51.30 C ATOM 1108 OD1 ASP A 65 -1.062 12.062 -10.679 1.00 1.33 O ATOM 1109 OD2 ASP A 65 -1.168 10.457 -12.168 1.00 41.23 O ATOM 0 H ASP A 65 1.967 8.881 -8.976 1.00 30.13 H new ATOM 0 HA ASP A 65 -0.492 10.146 -8.452 1.00 54.02 H new ATOM 0 HB2 ASP A 65 1.218 10.942 -10.080 1.00 34.41 H new ATOM 0 HB3 ASP A 65 0.944 9.530 -11.082 1.00 34.41 H new ATOM 1114 N LYS A 66 -0.645 7.289 -10.128 1.00 42.31 N ATOM 1115 CA LYS A 66 -1.506 6.225 -10.670 1.00 73.45 C ATOM 1116 C LYS A 66 -2.468 5.701 -9.595 1.00 33.15 C ATOM 1117 O LYS A 66 -3.685 5.741 -9.760 1.00 71.34 O ATOM 1118 CB LYS A 66 -0.613 5.064 -11.191 1.00 54.45 C ATOM 1119 CG LYS A 66 -1.287 4.061 -12.157 1.00 22.23 C ATOM 1120 CD LYS A 66 -1.686 4.690 -13.516 1.00 11.43 C ATOM 1121 CE LYS A 66 -0.528 5.456 -14.201 1.00 3.50 C ATOM 1122 NZ LYS A 66 0.715 4.645 -14.357 1.00 12.13 N ATOM 0 H LYS A 66 0.351 7.080 -10.202 1.00 42.31 H new ATOM 0 HA LYS A 66 -2.100 6.633 -11.488 1.00 73.45 H new ATOM 0 HB2 LYS A 66 0.251 5.497 -11.695 1.00 54.45 H new ATOM 0 HB3 LYS A 66 -0.236 4.510 -10.331 1.00 54.45 H new ATOM 0 HG2 LYS A 66 -0.608 3.228 -12.336 1.00 22.23 H new ATOM 0 HG3 LYS A 66 -2.177 3.650 -11.680 1.00 22.23 H new ATOM 0 HD2 LYS A 66 -2.036 3.903 -14.184 1.00 11.43 H new ATOM 0 HD3 LYS A 66 -2.522 5.372 -13.361 1.00 11.43 H new ATOM 0 HE2 LYS A 66 -0.858 5.793 -15.184 1.00 3.50 H new ATOM 0 HE3 LYS A 66 -0.299 6.348 -13.618 1.00 3.50 H new ATOM 0 HZ1 LYS A 66 1.482 5.251 -14.712 1.00 12.13 H new ATOM 0 HZ2 LYS A 66 0.987 4.246 -13.436 1.00 12.13 H new ATOM 0 HZ3 LYS A 66 0.543 3.873 -15.032 1.00 12.13 H new ATOM 1136 N ALA A 67 -1.879 5.309 -8.458 1.00 72.14 N ATOM 1137 CA ALA A 67 -2.591 4.695 -7.334 1.00 31.32 C ATOM 1138 C ALA A 67 -3.561 5.680 -6.660 1.00 31.40 C ATOM 1139 O ALA A 67 -4.632 5.273 -6.205 1.00 14.21 O ATOM 1140 CB ALA A 67 -1.580 4.152 -6.323 1.00 44.22 C ATOM 0 H ALA A 67 -0.878 5.412 -8.292 1.00 72.14 H new ATOM 0 HA ALA A 67 -3.193 3.873 -7.722 1.00 31.32 H new ATOM 0 HB1 ALA A 67 -2.110 3.696 -5.487 1.00 44.22 H new ATOM 0 HB2 ALA A 67 -0.950 3.404 -6.805 1.00 44.22 H new ATOM 0 HB3 ALA A 67 -0.958 4.969 -5.956 1.00 44.22 H new ATOM 1146 N LYS A 68 -3.176 6.981 -6.611 1.00 42.53 N ATOM 1147 CA LYS A 68 -4.046 8.045 -6.061 1.00 63.12 C ATOM 1148 C LYS A 68 -5.272 8.284 -6.960 1.00 23.52 C ATOM 1149 O LYS A 68 -6.363 8.520 -6.449 1.00 54.32 O ATOM 1150 CB LYS A 68 -3.261 9.368 -5.826 1.00 41.53 C ATOM 1151 CG LYS A 68 -2.155 9.251 -4.749 1.00 0.00 C ATOM 1152 CD LYS A 68 -1.454 10.582 -4.352 1.00 45.44 C ATOM 1153 CE LYS A 68 -0.677 11.269 -5.496 1.00 14.41 C ATOM 1154 NZ LYS A 68 -1.562 12.028 -6.419 1.00 71.22 N ATOM 0 H LYS A 68 -2.272 7.315 -6.945 1.00 42.53 H new ATOM 0 HA LYS A 68 -4.402 7.699 -5.091 1.00 63.12 H new ATOM 0 HB2 LYS A 68 -2.809 9.684 -6.766 1.00 41.53 H new ATOM 0 HB3 LYS A 68 -3.962 10.149 -5.531 1.00 41.53 H new ATOM 0 HG2 LYS A 68 -2.592 8.811 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.396 8.556 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.207 11.275 -3.975 1.00 45.44 H new ATOM 0 HD3 LYS A 68 -0.765 10.383 -3.531 1.00 45.44 H new ATOM 0 HE2 LYS A 68 0.063 11.947 -5.071 1.00 14.41 H new ATOM 0 HE3 LYS A 68 -0.131 10.515 -6.062 1.00 14.41 H new ATOM 0 HZ1 LYS A 68 -1.713 11.476 -7.288 1.00 71.22 H new ATOM 0 HZ2 LYS A 68 -2.477 12.203 -5.957 1.00 71.22 H new ATOM 0 HZ3 LYS A 68 -1.116 12.936 -6.659 1.00 71.22 H new ATOM 1168 N GLU A 69 -5.089 8.192 -8.293 1.00 74.15 N ATOM 1169 CA GLU A 69 -6.206 8.307 -9.259 1.00 15.31 C ATOM 1170 C GLU A 69 -7.224 7.174 -9.053 1.00 23.04 C ATOM 1171 O GLU A 69 -8.429 7.420 -8.975 1.00 2.33 O ATOM 1172 CB GLU A 69 -5.686 8.278 -10.721 1.00 3.22 C ATOM 1173 CG GLU A 69 -4.881 9.518 -11.134 1.00 54.31 C ATOM 1174 CD GLU A 69 -5.717 10.811 -11.143 1.00 14.10 C ATOM 1175 OE1 GLU A 69 -6.320 11.129 -12.191 1.00 1.13 O ATOM 1176 OE2 GLU A 69 -5.749 11.534 -10.117 1.00 54.32 O ATOM 0 H GLU A 69 -4.179 8.038 -8.727 1.00 74.15 H new ATOM 0 HA GLU A 69 -6.696 9.264 -9.080 1.00 15.31 H new ATOM 0 HB2 GLU A 69 -5.062 7.394 -10.854 1.00 3.22 H new ATOM 0 HB3 GLU A 69 -6.537 8.172 -11.394 1.00 3.22 H new ATOM 0 HG2 GLU A 69 -4.041 9.641 -10.451 1.00 54.31 H new ATOM 0 HG3 GLU A 69 -4.463 9.357 -12.128 1.00 54.31 H new ATOM 1183 N LEU A 70 -6.696 5.942 -8.929 1.00 60.04 N ATOM 1184 CA LEU A 70 -7.503 4.717 -8.760 1.00 24.55 C ATOM 1185 C LEU A 70 -8.286 4.760 -7.434 1.00 34.23 C ATOM 1186 O LEU A 70 -9.456 4.365 -7.380 1.00 63.42 O ATOM 1187 CB LEU A 70 -6.575 3.470 -8.814 1.00 13.44 C ATOM 1188 CG LEU A 70 -5.672 3.359 -10.085 1.00 14.25 C ATOM 1189 CD1 LEU A 70 -4.722 2.142 -10.012 1.00 72.21 C ATOM 1190 CD2 LEU A 70 -6.512 3.359 -11.381 1.00 72.20 C ATOM 0 H LEU A 70 -5.691 5.767 -8.943 1.00 60.04 H new ATOM 0 HA LEU A 70 -8.227 4.653 -9.572 1.00 24.55 H new ATOM 0 HB2 LEU A 70 -5.933 3.478 -7.933 1.00 13.44 H new ATOM 0 HB3 LEU A 70 -7.194 2.575 -8.750 1.00 13.44 H new ATOM 0 HG LEU A 70 -5.043 4.248 -10.111 1.00 14.25 H new ATOM 0 HD11 LEU A 70 -4.112 2.102 -10.915 1.00 72.21 H new ATOM 0 HD12 LEU A 70 -4.074 2.238 -9.141 1.00 72.21 H new ATOM 0 HD13 LEU A 70 -5.309 1.227 -9.929 1.00 72.21 H new ATOM 0 HD21 LEU A 70 -5.850 3.281 -12.244 1.00 72.20 H new ATOM 0 HD22 LEU A 70 -7.197 2.511 -11.371 1.00 72.20 H new ATOM 0 HD23 LEU A 70 -7.083 4.285 -11.445 1.00 72.20 H new ATOM 1202 N ALA A 71 -7.613 5.255 -6.383 1.00 71.42 N ATOM 1203 CA ALA A 71 -8.206 5.488 -5.056 1.00 34.31 C ATOM 1204 C ALA A 71 -9.412 6.446 -5.121 1.00 12.10 C ATOM 1205 O ALA A 71 -10.447 6.186 -4.498 1.00 11.34 O ATOM 1206 CB ALA A 71 -7.131 6.046 -4.114 1.00 55.51 C ATOM 0 H ALA A 71 -6.626 5.509 -6.432 1.00 71.42 H new ATOM 0 HA ALA A 71 -8.576 4.536 -4.676 1.00 34.31 H new ATOM 0 HB1 ALA A 71 -7.565 6.220 -3.129 1.00 55.51 H new ATOM 0 HB2 ALA A 71 -6.314 5.329 -4.029 1.00 55.51 H new ATOM 0 HB3 ALA A 71 -6.749 6.985 -4.514 1.00 55.51 H new ATOM 1212 N GLN A 72 -9.253 7.545 -5.891 1.00 20.01 N ATOM 1213 CA GLN A 72 -10.315 8.555 -6.110 1.00 52.23 C ATOM 1214 C GLN A 72 -11.496 7.961 -6.906 1.00 11.23 C ATOM 1215 O GLN A 72 -12.658 8.242 -6.589 1.00 65.40 O ATOM 1216 CB GLN A 72 -9.730 9.791 -6.845 1.00 41.23 C ATOM 1217 CG GLN A 72 -8.675 10.581 -6.036 1.00 3.35 C ATOM 1218 CD GLN A 72 -7.967 11.672 -6.850 1.00 55.02 C ATOM 1219 OE1 GLN A 72 -8.552 12.284 -7.745 1.00 34.14 O ATOM 1220 NE2 GLN A 72 -6.694 11.904 -6.561 1.00 45.42 N ATOM 0 H GLN A 72 -8.383 7.758 -6.380 1.00 20.01 H new ATOM 0 HA GLN A 72 -10.694 8.868 -5.137 1.00 52.23 H new ATOM 0 HB2 GLN A 72 -9.279 9.461 -7.781 1.00 41.23 H new ATOM 0 HB3 GLN A 72 -10.548 10.463 -7.105 1.00 41.23 H new ATOM 0 HG2 GLN A 72 -9.159 11.039 -5.174 1.00 3.35 H new ATOM 0 HG3 GLN A 72 -7.929 9.886 -5.651 1.00 3.35 H new ATOM 0 HE21 GLN A 72 -6.237 11.381 -5.814 1.00 45.42 H new ATOM 0 HE22 GLN A 72 -6.172 12.606 -7.086 1.00 45.42 H new ATOM 1229 N LYS A 73 -11.184 7.111 -7.910 1.00 3.43 N ATOM 1230 CA LYS A 73 -12.205 6.413 -8.731 1.00 65.21 C ATOM 1231 C LYS A 73 -13.072 5.485 -7.863 1.00 32.44 C ATOM 1232 O LYS A 73 -14.265 5.310 -8.121 1.00 72.00 O ATOM 1233 CB LYS A 73 -11.528 5.584 -9.864 1.00 0.00 C ATOM 1234 CG LYS A 73 -10.758 6.414 -10.916 1.00 1.22 C ATOM 1235 CD LYS A 73 -11.658 7.364 -11.741 1.00 50.35 C ATOM 1236 CE LYS A 73 -12.709 6.615 -12.579 1.00 21.34 C ATOM 1237 NZ LYS A 73 -13.613 7.548 -13.301 1.00 73.24 N ATOM 0 H LYS A 73 -10.224 6.889 -8.175 1.00 3.43 H new ATOM 0 HA LYS A 73 -12.844 7.174 -9.178 1.00 65.21 H new ATOM 0 HB2 LYS A 73 -10.838 4.873 -9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.295 5.002 -10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.991 7.002 -10.411 1.00 1.22 H new ATOM 0 HG3 LYS A 73 -10.243 5.735 -11.596 1.00 1.22 H new ATOM 0 HD2 LYS A 73 -12.164 8.055 -11.066 1.00 50.35 H new ATOM 0 HD3 LYS A 73 -11.034 7.964 -12.403 1.00 50.35 H new ATOM 0 HE2 LYS A 73 -12.206 5.969 -13.298 1.00 21.34 H new ATOM 0 HE3 LYS A 73 -13.299 5.970 -11.928 1.00 21.34 H new ATOM 0 HZ1 LYS A 73 -14.305 7.003 -13.853 1.00 73.24 H new ATOM 0 HZ2 LYS A 73 -14.113 8.148 -12.614 1.00 73.24 H new ATOM 0 HZ3 LYS A 73 -13.054 8.147 -13.942 1.00 73.24 H new ATOM 1251 N MET A 74 -12.445 4.903 -6.829 1.00 35.24 N ATOM 1252 CA MET A 74 -13.118 4.016 -5.865 1.00 24.43 C ATOM 1253 C MET A 74 -13.698 4.813 -4.681 1.00 12.43 C ATOM 1254 O MET A 74 -14.507 4.275 -3.925 1.00 62.23 O ATOM 1255 CB MET A 74 -12.118 2.964 -5.337 1.00 15.34 C ATOM 1256 CG MET A 74 -11.515 2.071 -6.415 1.00 33.23 C ATOM 1257 SD MET A 74 -12.740 1.065 -7.269 1.00 33.23 S ATOM 1258 CE MET A 74 -11.683 -0.091 -8.137 1.00 41.35 C ATOM 0 H MET A 74 -11.452 5.035 -6.636 1.00 35.24 H new ATOM 0 HA MET A 74 -13.941 3.520 -6.380 1.00 24.43 H new ATOM 0 HB2 MET A 74 -11.311 3.478 -4.815 1.00 15.34 H new ATOM 0 HB3 MET A 74 -12.624 2.336 -4.603 1.00 15.34 H new ATOM 0 HG2 MET A 74 -10.993 2.693 -7.143 1.00 33.23 H new ATOM 0 HG3 MET A 74 -10.770 1.418 -5.962 1.00 33.23 H new ATOM 0 HE1 MET A 74 -12.175 -0.416 -9.054 1.00 41.35 H new ATOM 0 HE2 MET A 74 -10.739 0.394 -8.384 1.00 41.35 H new ATOM 0 HE3 MET A 74 -11.491 -0.956 -7.502 1.00 41.35 H new ATOM 1268 N GLU A 75 -13.268 6.093 -4.549 1.00 21.54 N ATOM 1269 CA GLU A 75 -13.655 7.010 -3.441 1.00 1.45 C ATOM 1270 C GLU A 75 -13.254 6.481 -2.034 1.00 25.33 C ATOM 1271 O GLU A 75 -13.804 6.923 -1.017 1.00 72.32 O ATOM 1272 CB GLU A 75 -15.178 7.325 -3.515 1.00 52.43 C ATOM 1273 CG GLU A 75 -15.622 7.993 -4.835 1.00 70.52 C ATOM 1274 CD GLU A 75 -17.146 8.107 -4.973 1.00 11.22 C ATOM 1275 OE1 GLU A 75 -17.780 7.144 -5.457 1.00 74.40 O ATOM 1276 OE2 GLU A 75 -17.724 9.151 -4.586 1.00 25.22 O ATOM 0 H GLU A 75 -12.632 6.526 -5.219 1.00 21.54 H new ATOM 0 HA GLU A 75 -13.091 7.932 -3.579 1.00 1.45 H new ATOM 0 HB2 GLU A 75 -15.736 6.398 -3.384 1.00 52.43 H new ATOM 0 HB3 GLU A 75 -15.444 7.977 -2.683 1.00 52.43 H new ATOM 0 HG2 GLU A 75 -15.183 8.989 -4.896 1.00 70.52 H new ATOM 0 HG3 GLU A 75 -15.230 7.419 -5.675 1.00 70.52 H new ATOM 1283 N ILE A 76 -12.261 5.573 -1.982 1.00 1.02 N ATOM 1284 CA ILE A 76 -11.756 5.000 -0.714 1.00 40.33 C ATOM 1285 C ILE A 76 -10.707 5.954 -0.111 1.00 1.21 C ATOM 1286 O ILE A 76 -9.895 6.527 -0.852 1.00 32.35 O ATOM 1287 CB ILE A 76 -11.105 3.573 -0.930 1.00 21.41 C ATOM 1288 CG1 ILE A 76 -12.103 2.607 -1.647 1.00 23.01 C ATOM 1289 CG2 ILE A 76 -10.620 2.957 0.416 1.00 71.40 C ATOM 1290 CD1 ILE A 76 -11.521 1.255 -2.027 1.00 52.12 C ATOM 0 H ILE A 76 -11.787 5.216 -2.811 1.00 1.02 H new ATOM 0 HA ILE A 76 -12.602 4.882 -0.036 1.00 40.33 H new ATOM 0 HB ILE A 76 -10.233 3.706 -1.570 1.00 21.41 H new ATOM 0 HG12 ILE A 76 -12.962 2.447 -0.996 1.00 23.01 H new ATOM 0 HG13 ILE A 76 -12.473 3.094 -2.549 1.00 23.01 H new ATOM 0 HG21 ILE A 76 -10.179 1.978 0.230 1.00 71.40 H new ATOM 0 HG22 ILE A 76 -9.874 3.611 0.868 1.00 71.40 H new ATOM 0 HG23 ILE A 76 -11.467 2.850 1.094 1.00 71.40 H new ATOM 0 HD11 ILE A 76 -12.287 0.654 -2.518 1.00 52.12 H new ATOM 0 HD12 ILE A 76 -10.681 1.399 -2.706 1.00 52.12 H new ATOM 0 HD13 ILE A 76 -11.178 0.741 -1.129 1.00 52.12 H new ATOM 1302 N ASP A 77 -10.737 6.130 1.225 1.00 51.43 N ATOM 1303 CA ASP A 77 -9.732 6.926 1.948 1.00 53.32 C ATOM 1304 C ASP A 77 -8.391 6.164 1.942 1.00 71.13 C ATOM 1305 O ASP A 77 -8.254 5.085 2.538 1.00 52.25 O ATOM 1306 CB ASP A 77 -10.209 7.276 3.393 1.00 34.15 C ATOM 1307 CG ASP A 77 -10.519 6.054 4.285 1.00 2.25 C ATOM 1308 OD1 ASP A 77 -11.524 5.368 4.024 1.00 3.02 O ATOM 1309 OD2 ASP A 77 -9.783 5.806 5.265 1.00 13.12 O ATOM 0 H ASP A 77 -11.454 5.726 1.827 1.00 51.43 H new ATOM 0 HA ASP A 77 -9.592 7.881 1.441 1.00 53.32 H new ATOM 0 HB2 ASP A 77 -9.441 7.877 3.879 1.00 34.15 H new ATOM 0 HB3 ASP A 77 -11.103 7.895 3.326 1.00 34.15 H new ATOM 1314 N VAL A 78 -7.433 6.704 1.175 1.00 14.53 N ATOM 1315 CA VAL A 78 -6.116 6.089 0.945 1.00 23.25 C ATOM 1316 C VAL A 78 -4.992 7.120 1.170 1.00 53.23 C ATOM 1317 O VAL A 78 -5.126 8.291 0.805 1.00 40.24 O ATOM 1318 CB VAL A 78 -6.002 5.510 -0.521 1.00 12.42 C ATOM 1319 CG1 VAL A 78 -4.614 4.889 -0.784 1.00 2.03 C ATOM 1320 CG2 VAL A 78 -7.129 4.489 -0.834 1.00 72.14 C ATOM 0 H VAL A 78 -7.552 7.593 0.690 1.00 14.53 H new ATOM 0 HA VAL A 78 -6.009 5.270 1.656 1.00 23.25 H new ATOM 0 HB VAL A 78 -6.126 6.355 -1.198 1.00 12.42 H new ATOM 0 HG11 VAL A 78 -4.576 4.502 -1.802 1.00 2.03 H new ATOM 0 HG12 VAL A 78 -3.845 5.650 -0.656 1.00 2.03 H new ATOM 0 HG13 VAL A 78 -4.440 4.075 -0.080 1.00 2.03 H new ATOM 0 HG21 VAL A 78 -7.011 4.117 -1.852 1.00 72.14 H new ATOM 0 HG22 VAL A 78 -7.069 3.655 -0.134 1.00 72.14 H new ATOM 0 HG23 VAL A 78 -8.099 4.976 -0.736 1.00 72.14 H new ATOM 1330 N ARG A 79 -3.883 6.652 1.770 1.00 1.05 N ATOM 1331 CA ARG A 79 -2.651 7.432 1.961 1.00 24.10 C ATOM 1332 C ARG A 79 -1.588 6.773 1.086 1.00 71.03 C ATOM 1333 O ARG A 79 -1.286 5.597 1.276 1.00 33.54 O ATOM 1334 CB ARG A 79 -2.184 7.445 3.453 1.00 13.25 C ATOM 1335 CG ARG A 79 -3.250 7.904 4.482 1.00 52.53 C ATOM 1336 CD ARG A 79 -4.256 6.794 4.843 1.00 12.41 C ATOM 1337 NE ARG A 79 -5.364 7.300 5.655 1.00 50.11 N ATOM 1338 CZ ARG A 79 -6.610 6.832 5.615 1.00 42.20 C ATOM 1339 NH1 ARG A 79 -6.927 5.824 4.809 1.00 14.10 N ATOM 1340 NH2 ARG A 79 -7.543 7.384 6.370 1.00 75.50 N ATOM 0 H ARG A 79 -3.819 5.704 2.142 1.00 1.05 H new ATOM 0 HA ARG A 79 -2.823 8.473 1.687 1.00 24.10 H new ATOM 0 HB2 ARG A 79 -1.854 6.441 3.721 1.00 13.25 H new ATOM 0 HB3 ARG A 79 -1.316 8.099 3.538 1.00 13.25 H new ATOM 0 HG2 ARG A 79 -2.749 8.242 5.389 1.00 52.53 H new ATOM 0 HG3 ARG A 79 -3.791 8.760 4.079 1.00 52.53 H new ATOM 0 HD2 ARG A 79 -4.650 6.351 3.929 1.00 12.41 H new ATOM 0 HD3 ARG A 79 -3.741 6.001 5.386 1.00 12.41 H new ATOM 0 HE ARG A 79 -5.167 8.067 6.298 1.00 50.11 H new ATOM 0 HH11 ARG A 79 -6.213 5.402 4.215 1.00 14.10 H new ATOM 0 HH12 ARG A 79 -7.884 5.472 4.785 1.00 14.10 H new ATOM 0 HH21 ARG A 79 -7.308 8.166 6.981 1.00 75.50 H new ATOM 0 HH22 ARG A 79 -8.498 7.028 6.342 1.00 75.50 H new ATOM 1354 N THR A 80 -1.040 7.505 0.127 1.00 14.44 N ATOM 1355 CA THR A 80 -0.108 6.948 -0.859 1.00 1.44 C ATOM 1356 C THR A 80 1.244 7.666 -0.721 1.00 5.21 C ATOM 1357 O THR A 80 1.319 8.898 -0.827 1.00 43.52 O ATOM 1358 CB THR A 80 -0.701 7.094 -2.300 1.00 51.42 C ATOM 1359 OG1 THR A 80 -2.073 6.648 -2.298 1.00 22.13 O ATOM 1360 CG2 THR A 80 0.070 6.281 -3.358 1.00 3.45 C ATOM 0 H THR A 80 -1.225 8.501 0.005 1.00 14.44 H new ATOM 0 HA THR A 80 0.045 5.884 -0.679 1.00 1.44 H new ATOM 0 HB THR A 80 -0.620 8.148 -2.567 1.00 51.42 H new ATOM 0 HG1 THR A 80 -2.448 6.740 -3.199 1.00 22.13 H new ATOM 0 HG21 THR A 80 -0.391 6.425 -4.335 1.00 3.45 H new ATOM 0 HG22 THR A 80 1.106 6.619 -3.392 1.00 3.45 H new ATOM 0 HG23 THR A 80 0.042 5.223 -3.096 1.00 3.45 H new ATOM 1368 N ARG A 81 2.298 6.883 -0.436 1.00 10.34 N ATOM 1369 CA ARG A 81 3.652 7.390 -0.151 1.00 54.53 C ATOM 1370 C ARG A 81 4.647 6.734 -1.122 1.00 41.02 C ATOM 1371 O ARG A 81 4.603 5.514 -1.313 1.00 34.15 O ATOM 1372 CB ARG A 81 4.054 7.049 1.314 1.00 5.11 C ATOM 1373 CG ARG A 81 3.040 7.475 2.399 1.00 65.12 C ATOM 1374 CD ARG A 81 2.830 8.998 2.480 1.00 13.44 C ATOM 1375 NE ARG A 81 1.795 9.346 3.477 1.00 33.45 N ATOM 1376 CZ ARG A 81 0.807 10.239 3.297 1.00 72.54 C ATOM 1377 NH1 ARG A 81 0.682 10.900 2.146 1.00 4.42 N ATOM 1378 NH2 ARG A 81 -0.056 10.456 4.278 1.00 12.45 N ATOM 0 H ARG A 81 2.233 5.866 -0.396 1.00 10.34 H new ATOM 0 HA ARG A 81 3.667 8.473 -0.278 1.00 54.53 H new ATOM 0 HB2 ARG A 81 4.208 5.973 1.389 1.00 5.11 H new ATOM 0 HB3 ARG A 81 5.011 7.524 1.529 1.00 5.11 H new ATOM 0 HG2 ARG A 81 2.082 6.994 2.199 1.00 65.12 H new ATOM 0 HG3 ARG A 81 3.383 7.112 3.368 1.00 65.12 H new ATOM 0 HD2 ARG A 81 3.770 9.483 2.744 1.00 13.44 H new ATOM 0 HD3 ARG A 81 2.538 9.379 1.502 1.00 13.44 H new ATOM 0 HE ARG A 81 1.834 8.868 4.377 1.00 33.45 H new ATOM 0 HH11 ARG A 81 1.342 10.731 1.387 1.00 4.42 H new ATOM 0 HH12 ARG A 81 -0.073 11.575 2.025 1.00 4.42 H new ATOM 0 HH21 ARG A 81 0.034 9.948 5.158 1.00 12.45 H new ATOM 0 HH22 ARG A 81 -0.810 11.131 4.154 1.00 12.45 H new ATOM 1392 N LYS A 82 5.531 7.538 -1.730 1.00 73.15 N ATOM 1393 CA LYS A 82 6.599 7.026 -2.598 1.00 63.44 C ATOM 1394 C LYS A 82 7.865 6.785 -1.774 1.00 40.02 C ATOM 1395 O LYS A 82 8.383 7.708 -1.140 1.00 52.45 O ATOM 1396 CB LYS A 82 6.916 7.995 -3.763 1.00 54.42 C ATOM 1397 CG LYS A 82 8.013 7.452 -4.723 1.00 51.31 C ATOM 1398 CD LYS A 82 8.466 8.484 -5.770 1.00 45.25 C ATOM 1399 CE LYS A 82 9.131 9.723 -5.145 1.00 14.14 C ATOM 1400 NZ LYS A 82 9.513 10.713 -6.187 1.00 22.14 N ATOM 0 H LYS A 82 5.526 8.554 -1.635 1.00 73.15 H new ATOM 0 HA LYS A 82 6.249 6.089 -3.031 1.00 63.44 H new ATOM 0 HB2 LYS A 82 6.005 8.183 -4.331 1.00 54.42 H new ATOM 0 HB3 LYS A 82 7.240 8.952 -3.354 1.00 54.42 H new ATOM 0 HG2 LYS A 82 8.876 7.136 -4.137 1.00 51.31 H new ATOM 0 HG3 LYS A 82 7.634 6.567 -5.235 1.00 51.31 H new ATOM 0 HD2 LYS A 82 9.166 8.011 -6.459 1.00 45.25 H new ATOM 0 HD3 LYS A 82 7.604 8.799 -6.358 1.00 45.25 H new ATOM 0 HE2 LYS A 82 8.447 10.186 -4.434 1.00 14.14 H new ATOM 0 HE3 LYS A 82 10.016 9.420 -4.586 1.00 14.14 H new ATOM 0 HZ1 LYS A 82 10.225 11.365 -5.801 1.00 22.14 H new ATOM 0 HZ2 LYS A 82 9.909 10.215 -7.010 1.00 22.14 H new ATOM 0 HZ3 LYS A 82 8.672 11.251 -6.479 1.00 22.14 H new ATOM 1414 N VAL A 83 8.349 5.549 -1.793 1.00 12.21 N ATOM 1415 CA VAL A 83 9.573 5.142 -1.111 1.00 73.24 C ATOM 1416 C VAL A 83 10.628 4.721 -2.154 1.00 34.22 C ATOM 1417 O VAL A 83 10.324 4.019 -3.131 1.00 21.34 O ATOM 1418 CB VAL A 83 9.268 3.985 -0.085 1.00 70.31 C ATOM 1419 CG1 VAL A 83 8.285 4.482 1.009 1.00 2.44 C ATOM 1420 CG2 VAL A 83 8.714 2.717 -0.790 1.00 71.42 C ATOM 0 H VAL A 83 7.893 4.786 -2.293 1.00 12.21 H new ATOM 0 HA VAL A 83 9.974 5.981 -0.543 1.00 73.24 H new ATOM 0 HB VAL A 83 10.209 3.704 0.388 1.00 70.31 H new ATOM 0 HG11 VAL A 83 8.083 3.673 1.711 1.00 2.44 H new ATOM 0 HG12 VAL A 83 8.729 5.323 1.542 1.00 2.44 H new ATOM 0 HG13 VAL A 83 7.352 4.800 0.543 1.00 2.44 H new ATOM 0 HG21 VAL A 83 8.517 1.944 -0.047 1.00 71.42 H new ATOM 0 HG22 VAL A 83 7.788 2.965 -1.310 1.00 71.42 H new ATOM 0 HG23 VAL A 83 9.447 2.351 -1.509 1.00 71.42 H new ATOM 1430 N THR A 84 11.857 5.208 -1.959 1.00 64.33 N ATOM 1431 CA THR A 84 13.018 4.842 -2.782 1.00 33.51 C ATOM 1432 C THR A 84 13.897 3.841 -2.016 1.00 15.11 C ATOM 1433 O THR A 84 14.726 3.143 -2.610 1.00 74.14 O ATOM 1434 CB THR A 84 13.839 6.118 -3.170 1.00 10.13 C ATOM 1435 OG1 THR A 84 14.215 6.850 -1.981 1.00 62.43 O ATOM 1436 CG2 THR A 84 13.038 7.048 -4.110 1.00 50.25 C ATOM 0 H THR A 84 12.078 5.874 -1.219 1.00 64.33 H new ATOM 0 HA THR A 84 12.670 4.374 -3.703 1.00 33.51 H new ATOM 0 HB THR A 84 14.732 5.783 -3.698 1.00 10.13 H new ATOM 0 HG1 THR A 84 14.729 7.645 -2.235 1.00 62.43 H new ATOM 0 HG21 THR A 84 13.640 7.922 -4.357 1.00 50.25 H new ATOM 0 HG22 THR A 84 12.786 6.511 -5.024 1.00 50.25 H new ATOM 0 HG23 THR A 84 12.122 7.367 -3.612 1.00 50.25 H new ATOM 1444 N SER A 85 13.689 3.778 -0.687 1.00 41.44 N ATOM 1445 CA SER A 85 14.403 2.880 0.223 1.00 31.30 C ATOM 1446 C SER A 85 13.376 1.977 0.942 1.00 11.23 C ATOM 1447 O SER A 85 12.293 2.455 1.312 1.00 22.54 O ATOM 1448 CB SER A 85 15.199 3.701 1.265 1.00 33.34 C ATOM 1449 OG SER A 85 15.994 4.694 0.641 1.00 12.24 O ATOM 0 H SER A 85 13.004 4.365 -0.212 1.00 41.44 H new ATOM 0 HA SER A 85 15.103 2.266 -0.345 1.00 31.30 H new ATOM 0 HB2 SER A 85 14.508 4.172 1.964 1.00 33.34 H new ATOM 0 HB3 SER A 85 15.836 3.034 1.846 1.00 33.34 H new ATOM 0 HG SER A 85 16.484 5.198 1.324 1.00 12.24 H new ATOM 1455 N PRO A 86 13.690 0.658 1.136 1.00 11.41 N ATOM 1456 CA PRO A 86 12.844 -0.271 1.928 1.00 74.44 C ATOM 1457 C PRO A 86 12.605 0.190 3.385 1.00 11.10 C ATOM 1458 O PRO A 86 11.526 -0.050 3.933 1.00 50.23 O ATOM 1459 CB PRO A 86 13.627 -1.610 1.881 1.00 50.41 C ATOM 1460 CG PRO A 86 15.003 -1.279 1.388 1.00 72.22 C ATOM 1461 CD PRO A 86 14.852 -0.050 0.534 1.00 45.21 C ATOM 0 HA PRO A 86 11.838 -0.337 1.514 1.00 74.44 H new ATOM 0 HB2 PRO A 86 13.669 -2.070 2.868 1.00 50.41 H new ATOM 0 HB3 PRO A 86 13.138 -2.323 1.217 1.00 50.41 H new ATOM 0 HG2 PRO A 86 15.682 -1.095 2.220 1.00 72.22 H new ATOM 0 HG3 PRO A 86 15.421 -2.105 0.813 1.00 72.22 H new ATOM 0 HD2 PRO A 86 15.751 0.566 0.556 1.00 45.21 H new ATOM 0 HD3 PRO A 86 14.667 -0.307 -0.509 1.00 45.21 H new ATOM 1469 N ASP A 87 13.614 0.856 3.986 1.00 11.43 N ATOM 1470 CA ASP A 87 13.536 1.389 5.374 1.00 15.34 C ATOM 1471 C ASP A 87 12.384 2.411 5.526 1.00 33.35 C ATOM 1472 O ASP A 87 11.700 2.453 6.560 1.00 11.42 O ATOM 1473 CB ASP A 87 14.890 2.039 5.773 1.00 11.04 C ATOM 1474 CG ASP A 87 15.029 2.276 7.289 1.00 73.23 C ATOM 1475 OD1 ASP A 87 15.477 1.343 8.002 1.00 22.14 O ATOM 1476 OD2 ASP A 87 14.693 3.381 7.778 1.00 72.54 O ATOM 0 H ASP A 87 14.506 1.042 3.528 1.00 11.43 H new ATOM 0 HA ASP A 87 13.328 0.554 6.043 1.00 15.34 H new ATOM 0 HB2 ASP A 87 15.706 1.399 5.436 1.00 11.04 H new ATOM 0 HB3 ASP A 87 14.996 2.991 5.252 1.00 11.04 H new ATOM 1481 N GLU A 88 12.170 3.206 4.458 1.00 20.44 N ATOM 1482 CA GLU A 88 11.090 4.208 4.393 1.00 43.03 C ATOM 1483 C GLU A 88 9.717 3.513 4.347 1.00 34.23 C ATOM 1484 O GLU A 88 8.786 3.929 5.041 1.00 65.53 O ATOM 1485 CB GLU A 88 11.270 5.122 3.153 1.00 42.11 C ATOM 1486 CG GLU A 88 12.624 5.853 3.081 1.00 41.04 C ATOM 1487 CD GLU A 88 12.753 6.754 1.842 1.00 12.13 C ATOM 1488 OE1 GLU A 88 12.910 6.223 0.723 1.00 31.35 O ATOM 1489 OE2 GLU A 88 12.680 7.996 1.974 1.00 75.43 O ATOM 0 H GLU A 88 12.743 3.170 3.615 1.00 20.44 H new ATOM 0 HA GLU A 88 11.140 4.826 5.289 1.00 43.03 H new ATOM 0 HB2 GLU A 88 11.151 4.518 2.253 1.00 42.11 H new ATOM 0 HB3 GLU A 88 10.472 5.864 3.147 1.00 42.11 H new ATOM 0 HG2 GLU A 88 12.753 6.458 3.979 1.00 41.04 H new ATOM 0 HG3 GLU A 88 13.428 5.117 3.074 1.00 41.04 H new ATOM 1496 N ALA A 89 9.633 2.409 3.565 1.00 72.52 N ATOM 1497 CA ALA A 89 8.392 1.615 3.414 1.00 32.12 C ATOM 1498 C ALA A 89 7.980 1.003 4.757 1.00 41.51 C ATOM 1499 O ALA A 89 6.794 0.978 5.103 1.00 30.30 O ATOM 1500 CB ALA A 89 8.579 0.518 2.350 1.00 22.05 C ATOM 0 H ALA A 89 10.419 2.047 3.025 1.00 72.52 H new ATOM 0 HA ALA A 89 7.595 2.280 3.082 1.00 32.12 H new ATOM 0 HB1 ALA A 89 7.657 -0.055 2.253 1.00 22.05 H new ATOM 0 HB2 ALA A 89 8.823 0.978 1.392 1.00 22.05 H new ATOM 0 HB3 ALA A 89 9.389 -0.146 2.651 1.00 22.05 H new ATOM 1506 N LYS A 90 8.996 0.556 5.516 1.00 35.11 N ATOM 1507 CA LYS A 90 8.838 0.006 6.867 1.00 15.14 C ATOM 1508 C LYS A 90 8.283 1.067 7.837 1.00 0.14 C ATOM 1509 O LYS A 90 7.384 0.772 8.647 1.00 71.11 O ATOM 1510 CB LYS A 90 10.212 -0.506 7.371 1.00 75.21 C ATOM 1511 CG LYS A 90 10.779 -1.719 6.592 1.00 13.13 C ATOM 1512 CD LYS A 90 12.251 -2.038 6.969 1.00 40.12 C ATOM 1513 CE LYS A 90 12.455 -2.267 8.479 1.00 23.22 C ATOM 1514 NZ LYS A 90 13.874 -2.574 8.813 1.00 40.04 N ATOM 0 H LYS A 90 9.965 0.569 5.199 1.00 35.11 H new ATOM 0 HA LYS A 90 8.126 -0.818 6.829 1.00 15.14 H new ATOM 0 HB2 LYS A 90 10.931 0.311 7.316 1.00 75.21 H new ATOM 0 HB3 LYS A 90 10.119 -0.779 8.422 1.00 75.21 H new ATOM 0 HG2 LYS A 90 10.160 -2.594 6.789 1.00 13.13 H new ATOM 0 HG3 LYS A 90 10.717 -1.520 5.522 1.00 13.13 H new ATOM 0 HD2 LYS A 90 12.574 -2.927 6.426 1.00 40.12 H new ATOM 0 HD3 LYS A 90 12.889 -1.216 6.643 1.00 40.12 H new ATOM 0 HE2 LYS A 90 12.138 -1.379 9.026 1.00 23.22 H new ATOM 0 HE3 LYS A 90 11.819 -3.088 8.810 1.00 23.22 H new ATOM 0 HZ1 LYS A 90 13.965 -2.721 9.839 1.00 40.04 H new ATOM 0 HZ2 LYS A 90 14.170 -3.436 8.312 1.00 40.04 H new ATOM 0 HZ3 LYS A 90 14.479 -1.780 8.522 1.00 40.04 H new ATOM 1528 N ARG A 91 8.837 2.302 7.740 1.00 33.31 N ATOM 1529 CA ARG A 91 8.425 3.425 8.596 1.00 32.51 C ATOM 1530 C ARG A 91 6.922 3.693 8.476 1.00 2.24 C ATOM 1531 O ARG A 91 6.225 3.714 9.485 1.00 32.44 O ATOM 1532 CB ARG A 91 9.188 4.734 8.261 1.00 45.31 C ATOM 1533 CG ARG A 91 8.729 5.945 9.120 1.00 61.04 C ATOM 1534 CD ARG A 91 9.191 7.305 8.583 1.00 42.02 C ATOM 1535 NE ARG A 91 8.509 8.416 9.278 1.00 21.31 N ATOM 1536 CZ ARG A 91 8.143 9.582 8.714 1.00 34.43 C ATOM 1537 NH1 ARG A 91 8.393 9.826 7.431 1.00 32.44 N ATOM 1538 NH2 ARG A 91 7.519 10.496 9.446 1.00 70.44 N ATOM 0 H ARG A 91 9.572 2.538 7.073 1.00 33.31 H new ATOM 0 HA ARG A 91 8.669 3.128 9.616 1.00 32.51 H new ATOM 0 HB2 ARG A 91 10.256 4.574 8.411 1.00 45.31 H new ATOM 0 HB3 ARG A 91 9.046 4.970 7.206 1.00 45.31 H new ATOM 0 HG2 ARG A 91 7.641 5.941 9.181 1.00 61.04 H new ATOM 0 HG3 ARG A 91 9.106 5.820 10.135 1.00 61.04 H new ATOM 0 HD2 ARG A 91 10.269 7.401 8.710 1.00 42.02 H new ATOM 0 HD3 ARG A 91 8.989 7.364 7.513 1.00 42.02 H new ATOM 0 HE ARG A 91 8.298 8.289 10.268 1.00 21.31 H new ATOM 0 HH11 ARG A 91 8.868 9.125 6.862 1.00 32.44 H new ATOM 0 HH12 ARG A 91 8.110 10.714 7.016 1.00 32.44 H new ATOM 0 HH21 ARG A 91 7.320 10.313 10.429 1.00 70.44 H new ATOM 0 HH22 ARG A 91 7.239 11.382 9.025 1.00 70.44 H new ATOM 1552 N TRP A 92 6.436 3.881 7.232 1.00 72.41 N ATOM 1553 CA TRP A 92 5.030 4.231 6.975 1.00 40.12 C ATOM 1554 C TRP A 92 4.035 3.163 7.455 1.00 53.33 C ATOM 1555 O TRP A 92 2.888 3.494 7.746 1.00 55.44 O ATOM 1556 CB TRP A 92 4.806 4.557 5.483 1.00 3.33 C ATOM 1557 CG TRP A 92 5.564 5.777 5.013 1.00 14.12 C ATOM 1558 CD1 TRP A 92 6.619 5.814 4.146 1.00 12.23 C ATOM 1559 CD2 TRP A 92 5.317 7.140 5.392 1.00 60.01 C ATOM 1560 NE1 TRP A 92 7.052 7.101 3.983 1.00 63.01 N ATOM 1561 CE2 TRP A 92 6.267 7.935 4.727 1.00 61.43 C ATOM 1562 CE3 TRP A 92 4.385 7.766 6.224 1.00 62.24 C ATOM 1563 CZ2 TRP A 92 6.316 9.316 4.868 1.00 25.24 C ATOM 1564 CZ3 TRP A 92 4.435 9.138 6.368 1.00 71.41 C ATOM 1565 CH2 TRP A 92 5.394 9.902 5.691 1.00 73.42 C ATOM 0 H TRP A 92 7.002 3.795 6.388 1.00 72.41 H new ATOM 0 HA TRP A 92 4.829 5.123 7.568 1.00 40.12 H new ATOM 0 HB2 TRP A 92 5.107 3.698 4.882 1.00 3.33 H new ATOM 0 HB3 TRP A 92 3.741 4.711 5.309 1.00 3.33 H new ATOM 0 HD1 TRP A 92 7.049 4.951 3.659 1.00 12.23 H new ATOM 0 HE1 TRP A 92 7.836 7.392 3.399 1.00 63.01 H new ATOM 0 HE3 TRP A 92 3.638 7.186 6.746 1.00 62.24 H new ATOM 0 HZ2 TRP A 92 7.055 9.906 4.347 1.00 25.24 H new ATOM 0 HZ3 TRP A 92 3.723 9.630 7.013 1.00 71.41 H new ATOM 0 HH2 TRP A 92 5.406 10.974 5.821 1.00 73.42 H new ATOM 1576 N ILE A 93 4.476 1.902 7.542 1.00 11.05 N ATOM 1577 CA ILE A 93 3.657 0.799 8.088 1.00 22.34 C ATOM 1578 C ILE A 93 3.519 0.963 9.617 1.00 35.22 C ATOM 1579 O ILE A 93 2.417 0.811 10.171 1.00 0.41 O ATOM 1580 CB ILE A 93 4.292 -0.590 7.713 1.00 24.31 C ATOM 1581 CG1 ILE A 93 4.267 -0.771 6.162 1.00 60.34 C ATOM 1582 CG2 ILE A 93 3.597 -1.778 8.432 1.00 42.01 C ATOM 1583 CD1 ILE A 93 4.961 -2.014 5.667 1.00 31.31 C ATOM 0 H ILE A 93 5.406 1.612 7.239 1.00 11.05 H new ATOM 0 HA ILE A 93 2.660 0.834 7.649 1.00 22.34 H new ATOM 0 HB ILE A 93 5.325 -0.593 8.060 1.00 24.31 H new ATOM 0 HG12 ILE A 93 3.230 -0.792 5.828 1.00 60.34 H new ATOM 0 HG13 ILE A 93 4.733 0.099 5.700 1.00 60.34 H new ATOM 0 HG21 ILE A 93 4.075 -2.712 8.137 1.00 42.01 H new ATOM 0 HG22 ILE A 93 3.684 -1.651 9.511 1.00 42.01 H new ATOM 0 HG23 ILE A 93 2.544 -1.806 8.153 1.00 42.01 H new ATOM 0 HD11 ILE A 93 4.895 -2.059 4.580 1.00 31.31 H new ATOM 0 HD12 ILE A 93 6.009 -1.989 5.966 1.00 31.31 H new ATOM 0 HD13 ILE A 93 4.482 -2.894 6.096 1.00 31.31 H new ATOM 1595 N LYS A 94 4.645 1.294 10.277 1.00 45.32 N ATOM 1596 CA LYS A 94 4.670 1.653 11.711 1.00 2.34 C ATOM 1597 C LYS A 94 3.784 2.895 11.998 1.00 24.14 C ATOM 1598 O LYS A 94 3.120 2.962 13.045 1.00 44.44 O ATOM 1599 CB LYS A 94 6.134 1.907 12.162 1.00 31.31 C ATOM 1600 CG LYS A 94 6.291 2.355 13.630 1.00 3.13 C ATOM 1601 CD LYS A 94 7.754 2.678 13.995 1.00 35.13 C ATOM 1602 CE LYS A 94 7.897 3.237 15.420 1.00 21.32 C ATOM 1603 NZ LYS A 94 7.455 2.269 16.459 1.00 44.14 N ATOM 0 H LYS A 94 5.563 1.321 9.833 1.00 45.32 H new ATOM 0 HA LYS A 94 4.260 0.820 12.282 1.00 2.34 H new ATOM 0 HB2 LYS A 94 6.709 0.993 12.012 1.00 31.31 H new ATOM 0 HB3 LYS A 94 6.571 2.668 11.516 1.00 31.31 H new ATOM 0 HG2 LYS A 94 5.673 3.235 13.806 1.00 3.13 H new ATOM 0 HG3 LYS A 94 5.921 1.569 14.288 1.00 3.13 H new ATOM 0 HD2 LYS A 94 8.356 1.774 13.901 1.00 35.13 H new ATOM 0 HD3 LYS A 94 8.151 3.402 13.283 1.00 35.13 H new ATOM 0 HE2 LYS A 94 8.938 3.506 15.598 1.00 21.32 H new ATOM 0 HE3 LYS A 94 7.312 4.152 15.508 1.00 21.32 H new ATOM 0 HZ1 LYS A 94 7.603 2.681 17.402 1.00 44.14 H new ATOM 0 HZ2 LYS A 94 6.445 2.057 16.328 1.00 44.14 H new ATOM 0 HZ3 LYS A 94 8.007 1.392 16.374 1.00 44.14 H new ATOM 1617 N GLU A 95 3.770 3.866 11.057 1.00 22.25 N ATOM 1618 CA GLU A 95 2.900 5.054 11.155 1.00 32.30 C ATOM 1619 C GLU A 95 1.420 4.621 11.091 1.00 10.12 C ATOM 1620 O GLU A 95 0.647 4.876 12.013 1.00 42.22 O ATOM 1621 CB GLU A 95 3.186 6.078 10.012 1.00 21.14 C ATOM 1622 CG GLU A 95 4.655 6.500 9.836 1.00 3.11 C ATOM 1623 CD GLU A 95 5.312 7.052 11.108 1.00 72.13 C ATOM 1624 OE1 GLU A 95 4.997 8.197 11.499 1.00 71.03 O ATOM 1625 OE2 GLU A 95 6.150 6.345 11.722 1.00 3.11 O ATOM 0 H GLU A 95 4.354 3.847 10.221 1.00 22.25 H new ATOM 0 HA GLU A 95 3.111 5.541 12.107 1.00 32.30 H new ATOM 0 HB2 GLU A 95 2.837 5.650 9.072 1.00 21.14 H new ATOM 0 HB3 GLU A 95 2.591 6.973 10.196 1.00 21.14 H new ATOM 0 HG2 GLU A 95 5.228 5.640 9.489 1.00 3.11 H new ATOM 0 HG3 GLU A 95 4.712 7.257 9.054 1.00 3.11 H new ATOM 1632 N PHE A 96 1.107 3.874 10.019 1.00 63.04 N ATOM 1633 CA PHE A 96 -0.260 3.497 9.600 1.00 34.02 C ATOM 1634 C PHE A 96 -1.001 2.656 10.651 1.00 63.02 C ATOM 1635 O PHE A 96 -2.222 2.799 10.816 1.00 0.34 O ATOM 1636 CB PHE A 96 -0.145 2.726 8.263 1.00 45.51 C ATOM 1637 CG PHE A 96 -1.449 2.204 7.666 1.00 33.34 C ATOM 1638 CD1 PHE A 96 -2.435 3.078 7.220 1.00 62.53 C ATOM 1639 CD2 PHE A 96 -1.671 0.837 7.533 1.00 21.53 C ATOM 1640 CE1 PHE A 96 -3.601 2.599 6.668 1.00 54.23 C ATOM 1641 CE2 PHE A 96 -2.834 0.361 6.983 1.00 72.33 C ATOM 1642 CZ PHE A 96 -3.798 1.239 6.552 1.00 74.12 C ATOM 0 H PHE A 96 1.823 3.501 9.395 1.00 63.04 H new ATOM 0 HA PHE A 96 -0.853 4.404 9.481 1.00 34.02 H new ATOM 0 HB2 PHE A 96 0.328 3.381 7.531 1.00 45.51 H new ATOM 0 HB3 PHE A 96 0.525 1.879 8.413 1.00 45.51 H new ATOM 0 HD1 PHE A 96 -2.284 4.144 7.308 1.00 62.53 H new ATOM 0 HD2 PHE A 96 -0.917 0.140 7.868 1.00 21.53 H new ATOM 0 HE1 PHE A 96 -4.360 3.287 6.326 1.00 54.23 H new ATOM 0 HE2 PHE A 96 -2.991 -0.703 6.889 1.00 72.33 H new ATOM 0 HZ PHE A 96 -4.714 0.863 6.121 1.00 74.12 H new ATOM 1652 N SER A 97 -0.260 1.768 11.334 1.00 14.41 N ATOM 1653 CA SER A 97 -0.811 0.948 12.427 1.00 24.25 C ATOM 1654 C SER A 97 -1.343 1.841 13.570 1.00 4.32 C ATOM 1655 O SER A 97 -2.460 1.642 14.056 1.00 53.43 O ATOM 1656 CB SER A 97 0.264 -0.032 12.943 1.00 53.43 C ATOM 1657 OG SER A 97 1.465 0.644 13.269 1.00 54.43 O ATOM 0 H SER A 97 0.728 1.599 11.147 1.00 14.41 H new ATOM 0 HA SER A 97 -1.651 0.370 12.043 1.00 24.25 H new ATOM 0 HB2 SER A 97 -0.111 -0.556 13.822 1.00 53.43 H new ATOM 0 HB3 SER A 97 0.465 -0.788 12.183 1.00 53.43 H new ATOM 0 HG SER A 97 1.995 0.780 12.456 1.00 54.43 H new ATOM 1663 N GLU A 98 -0.539 2.858 13.935 1.00 62.13 N ATOM 1664 CA GLU A 98 -0.842 3.793 15.041 1.00 13.30 C ATOM 1665 C GLU A 98 -1.806 4.916 14.605 1.00 4.24 C ATOM 1666 O GLU A 98 -2.471 5.522 15.452 1.00 40.43 O ATOM 1667 CB GLU A 98 0.484 4.370 15.602 1.00 42.24 C ATOM 1668 CG GLU A 98 1.417 3.287 16.194 1.00 74.32 C ATOM 1669 CD GLU A 98 2.762 3.824 16.721 1.00 5.22 C ATOM 1670 OE1 GLU A 98 2.755 4.618 17.683 1.00 12.31 O ATOM 1671 OE2 GLU A 98 3.831 3.463 16.166 1.00 74.42 O ATOM 0 H GLU A 98 0.346 3.057 13.469 1.00 62.13 H new ATOM 0 HA GLU A 98 -1.355 3.241 15.829 1.00 13.30 H new ATOM 0 HB2 GLU A 98 1.009 4.897 14.806 1.00 42.24 H new ATOM 0 HB3 GLU A 98 0.255 5.105 16.374 1.00 42.24 H new ATOM 0 HG2 GLU A 98 0.897 2.782 17.008 1.00 74.32 H new ATOM 0 HG3 GLU A 98 1.614 2.537 15.428 1.00 74.32 H new ATOM 1678 N GLU A 99 -1.875 5.184 13.288 1.00 14.43 N ATOM 1679 CA GLU A 99 -2.842 6.141 12.709 1.00 50.32 C ATOM 1680 C GLU A 99 -4.241 5.504 12.634 1.00 33.41 C ATOM 1681 O GLU A 99 -5.257 6.198 12.766 1.00 0.00 O ATOM 1682 CB GLU A 99 -2.378 6.617 11.302 1.00 23.33 C ATOM 1683 CG GLU A 99 -1.084 7.464 11.311 1.00 22.42 C ATOM 1684 CD GLU A 99 -0.666 7.951 9.913 1.00 73.23 C ATOM 1685 OE1 GLU A 99 0.065 7.229 9.209 1.00 13.33 O ATOM 1686 OE2 GLU A 99 -1.084 9.056 9.509 1.00 32.13 O ATOM 0 H GLU A 99 -1.266 4.747 12.596 1.00 14.43 H new ATOM 0 HA GLU A 99 -2.892 7.015 13.359 1.00 50.32 H new ATOM 0 HB2 GLU A 99 -2.222 5.743 10.669 1.00 23.33 H new ATOM 0 HB3 GLU A 99 -3.178 7.202 10.847 1.00 23.33 H new ATOM 0 HG2 GLU A 99 -1.227 8.327 11.961 1.00 22.42 H new ATOM 0 HG3 GLU A 99 -0.274 6.873 11.740 1.00 22.42 H new ATOM 1693 N GLY A 100 -4.270 4.180 12.415 1.00 63.51 N ATOM 1694 CA GLY A 100 -5.511 3.408 12.412 1.00 64.32 C ATOM 1695 C GLY A 100 -5.975 3.038 13.815 1.00 3.42 C ATOM 1696 O GLY A 100 -7.165 2.795 14.035 1.00 13.41 O ATOM 0 H GLY A 100 -3.435 3.622 12.236 1.00 63.51 H new ATOM 0 HA2 GLY A 100 -6.292 3.984 11.915 1.00 64.32 H new ATOM 0 HA3 GLY A 100 -5.367 2.498 11.829 1.00 64.32 H new ATOM 1700 N GLY A 101 -5.031 3.003 14.762 1.00 0.54 N ATOM 1701 CA GLY A 101 -5.328 2.726 16.164 1.00 11.53 C ATOM 1702 C GLY A 101 -4.068 2.824 17.008 1.00 74.21 C ATOM 1703 O GLY A 101 -3.114 2.084 16.756 1.00 71.51 O ATOM 0 H GLY A 101 -4.042 3.166 14.574 1.00 0.54 H new ATOM 0 HA2 GLY A 101 -6.073 3.433 16.530 1.00 11.53 H new ATOM 0 HA3 GLY A 101 -5.760 1.730 16.260 1.00 11.53 H new ATOM 1707 N SER A 102 -4.057 3.742 18.004 1.00 5.01 N ATOM 1708 CA SER A 102 -2.867 4.009 18.847 1.00 53.41 C ATOM 1709 C SER A 102 -2.435 2.754 19.631 1.00 12.13 C ATOM 1710 O SER A 102 -1.239 2.553 19.872 1.00 73.30 O ATOM 1711 CB SER A 102 -3.142 5.184 19.816 1.00 0.21 C ATOM 1712 OG SER A 102 -4.247 4.915 20.669 1.00 11.02 O ATOM 0 H SER A 102 -4.866 4.314 18.244 1.00 5.01 H new ATOM 0 HA SER A 102 -2.047 4.284 18.184 1.00 53.41 H new ATOM 0 HB2 SER A 102 -2.254 5.373 20.419 1.00 0.21 H new ATOM 0 HB3 SER A 102 -3.337 6.090 19.243 1.00 0.21 H new ATOM 0 HG SER A 102 -4.185 5.474 21.471 1.00 11.02 H new ATOM 1718 N LEU A 103 -3.444 1.929 20.019 1.00 5.23 N ATOM 1719 CA LEU A 103 -3.255 0.653 20.745 1.00 34.33 C ATOM 1720 C LEU A 103 -2.458 0.856 22.055 1.00 34.03 C ATOM 1721 O LEU A 103 -1.742 -0.035 22.527 1.00 60.22 O ATOM 1722 CB LEU A 103 -2.607 -0.403 19.806 1.00 0.43 C ATOM 1723 CG LEU A 103 -3.435 -0.812 18.546 1.00 15.15 C ATOM 1724 CD1 LEU A 103 -2.648 -1.806 17.669 1.00 34.43 C ATOM 1725 CD2 LEU A 103 -4.819 -1.386 18.936 1.00 32.03 C ATOM 0 H LEU A 103 -4.424 2.139 19.831 1.00 5.23 H new ATOM 0 HA LEU A 103 -4.231 0.272 21.045 1.00 34.33 H new ATOM 0 HB2 LEU A 103 -1.644 -0.018 19.472 1.00 0.43 H new ATOM 0 HB3 LEU A 103 -2.406 -1.302 20.389 1.00 0.43 H new ATOM 0 HG LEU A 103 -3.610 0.090 17.960 1.00 15.15 H new ATOM 0 HD11 LEU A 103 -3.246 -2.075 16.798 1.00 34.43 H new ATOM 0 HD12 LEU A 103 -1.717 -1.344 17.341 1.00 34.43 H new ATOM 0 HD13 LEU A 103 -2.424 -2.703 18.247 1.00 34.43 H new ATOM 0 HD21 LEU A 103 -5.367 -1.660 18.034 1.00 32.03 H new ATOM 0 HD22 LEU A 103 -4.684 -2.269 19.560 1.00 32.03 H new ATOM 0 HD23 LEU A 103 -5.382 -0.634 19.488 1.00 32.03 H new ATOM 1737 N GLU A 104 -2.666 2.038 22.648 1.00 34.14 N ATOM 1738 CA GLU A 104 -1.920 2.537 23.813 1.00 70.13 C ATOM 1739 C GLU A 104 -2.093 1.657 25.067 1.00 41.23 C ATOM 1740 O GLU A 104 -1.128 1.411 25.802 1.00 1.14 O ATOM 1741 CB GLU A 104 -2.353 3.998 24.101 1.00 13.24 C ATOM 1742 CG GLU A 104 -3.876 4.203 24.250 1.00 3.03 C ATOM 1743 CD GLU A 104 -4.274 5.667 24.449 1.00 72.35 C ATOM 1744 OE1 GLU A 104 -4.498 6.380 23.443 1.00 5.54 O ATOM 1745 OE2 GLU A 104 -4.366 6.115 25.614 1.00 53.22 O ATOM 0 H GLU A 104 -3.377 2.693 22.323 1.00 34.14 H new ATOM 0 HA GLU A 104 -0.858 2.499 23.569 1.00 70.13 H new ATOM 0 HB2 GLU A 104 -1.864 4.334 25.015 1.00 13.24 H new ATOM 0 HB3 GLU A 104 -1.992 4.635 23.294 1.00 13.24 H new ATOM 0 HG2 GLU A 104 -4.376 3.815 23.362 1.00 3.03 H new ATOM 0 HG3 GLU A 104 -4.233 3.618 25.098 1.00 3.03 H new ATOM 1752 N HIS A 105 -3.326 1.190 25.299 1.00 31.24 N ATOM 1753 CA HIS A 105 -3.662 0.337 26.450 1.00 1.23 C ATOM 1754 C HIS A 105 -3.620 -1.148 26.046 1.00 75.34 C ATOM 1755 O HIS A 105 -3.636 -2.032 26.906 1.00 21.01 O ATOM 1756 CB HIS A 105 -5.049 0.739 27.009 1.00 74.02 C ATOM 1757 CG HIS A 105 -5.461 -0.010 28.253 1.00 70.40 C ATOM 1758 ND1 HIS A 105 -6.626 -0.746 28.337 1.00 42.35 N ATOM 1759 CD2 HIS A 105 -4.862 -0.128 29.465 1.00 15.05 C ATOM 1760 CE1 HIS A 105 -6.718 -1.289 29.533 1.00 42.25 C ATOM 1761 NE2 HIS A 105 -5.664 -0.929 30.237 1.00 21.44 N ATOM 0 H HIS A 105 -4.122 1.392 24.694 1.00 31.24 H new ATOM 0 HA HIS A 105 -2.924 0.482 27.239 1.00 1.23 H new ATOM 0 HB2 HIS A 105 -5.043 1.807 27.228 1.00 74.02 H new ATOM 0 HB3 HIS A 105 -5.800 0.576 26.236 1.00 74.02 H new ATOM 0 HD2 HIS A 105 -3.928 0.324 29.765 1.00 15.05 H new ATOM 0 HE1 HIS A 105 -7.522 -1.922 29.879 1.00 42.25 H new ATOM 0 HE2 HIS A 105 -5.475 -1.202 31.201 1.00 21.44 H new ATOM 1770 N HIS A 106 -3.572 -1.414 24.730 1.00 21.51 N ATOM 1771 CA HIS A 106 -3.371 -2.774 24.198 1.00 52.42 C ATOM 1772 C HIS A 106 -1.904 -3.206 24.427 1.00 24.51 C ATOM 1773 O HIS A 106 -1.005 -2.353 24.511 1.00 41.11 O ATOM 1774 CB HIS A 106 -3.723 -2.818 22.686 1.00 71.42 C ATOM 1775 CG HIS A 106 -3.629 -4.185 22.059 1.00 64.24 C ATOM 1776 ND1 HIS A 106 -2.463 -4.697 21.524 1.00 22.45 N ATOM 1777 CD2 HIS A 106 -4.555 -5.164 21.927 1.00 25.10 C ATOM 1778 CE1 HIS A 106 -2.679 -5.921 21.095 1.00 71.22 C ATOM 1779 NE2 HIS A 106 -3.936 -6.232 21.328 1.00 71.35 N ATOM 0 H HIS A 106 -3.670 -0.699 24.009 1.00 21.51 H new ATOM 0 HA HIS A 106 -4.031 -3.466 24.721 1.00 52.42 H new ATOM 0 HB2 HIS A 106 -4.736 -2.440 22.551 1.00 71.42 H new ATOM 0 HB3 HIS A 106 -3.057 -2.141 22.151 1.00 71.42 H new ATOM 0 HD2 HIS A 106 -5.589 -5.114 22.236 1.00 25.10 H new ATOM 0 HE1 HIS A 106 -1.947 -6.564 20.629 1.00 71.22 H new ATOM 0 HE2 HIS A 106 -4.378 -7.122 21.100 1.00 71.35 H new ATOM 1788 N HIS A 107 -1.673 -4.529 24.528 1.00 71.12 N ATOM 1789 CA HIS A 107 -0.326 -5.101 24.713 1.00 15.51 C ATOM 1790 C HIS A 107 0.521 -4.952 23.434 1.00 33.21 C ATOM 1791 O HIS A 107 0.466 -5.798 22.536 1.00 43.25 O ATOM 1792 CB HIS A 107 -0.398 -6.597 25.142 1.00 24.03 C ATOM 1793 CG HIS A 107 -1.048 -6.837 26.482 1.00 42.42 C ATOM 1794 ND1 HIS A 107 -2.075 -7.738 26.670 1.00 11.44 N ATOM 1795 CD2 HIS A 107 -0.793 -6.309 27.704 1.00 1.21 C ATOM 1796 CE1 HIS A 107 -2.421 -7.753 27.941 1.00 1.52 C ATOM 1797 NE2 HIS A 107 -1.661 -6.894 28.585 1.00 35.44 N ATOM 0 H HIS A 107 -2.413 -5.230 24.484 1.00 71.12 H new ATOM 0 HA HIS A 107 0.157 -4.541 25.514 1.00 15.51 H new ATOM 0 HB2 HIS A 107 -0.947 -7.153 24.382 1.00 24.03 H new ATOM 0 HB3 HIS A 107 0.613 -7.003 25.166 1.00 24.03 H new ATOM 0 HD2 HIS A 107 -0.045 -5.566 27.938 1.00 1.21 H new ATOM 0 HE1 HIS A 107 -3.195 -8.365 28.379 1.00 1.52 H new ATOM 0 HE2 HIS A 107 -1.711 -6.695 29.584 1.00 35.44 H new ATOM 1806 N HIS A 108 1.238 -3.822 23.337 1.00 13.25 N ATOM 1807 CA HIS A 108 2.312 -3.635 22.345 1.00 72.25 C ATOM 1808 C HIS A 108 3.560 -4.336 22.877 1.00 74.13 C ATOM 1809 O HIS A 108 4.148 -3.900 23.873 1.00 61.41 O ATOM 1810 CB HIS A 108 2.565 -2.123 22.032 1.00 34.12 C ATOM 1811 CG HIS A 108 2.576 -1.207 23.234 1.00 22.34 C ATOM 1812 ND1 HIS A 108 1.417 -0.772 23.852 1.00 71.34 N ATOM 1813 CD2 HIS A 108 3.595 -0.611 23.903 1.00 25.55 C ATOM 1814 CE1 HIS A 108 1.727 0.035 24.845 1.00 71.40 C ATOM 1815 NE2 HIS A 108 3.034 0.150 24.896 1.00 64.03 N ATOM 0 H HIS A 108 1.092 -3.013 23.941 1.00 13.25 H new ATOM 0 HA HIS A 108 2.022 -4.077 21.392 1.00 72.25 H new ATOM 0 HB2 HIS A 108 3.521 -2.031 21.517 1.00 34.12 H new ATOM 0 HB3 HIS A 108 1.796 -1.779 21.341 1.00 34.12 H new ATOM 0 HD1 HIS A 108 0.470 -1.036 23.581 1.00 71.34 H new ATOM 0 HD2 HIS A 108 4.649 -0.716 23.693 1.00 25.55 H new ATOM 0 HE1 HIS A 108 1.025 0.521 25.506 1.00 71.40 H new ATOM 1824 N HIS A 109 3.918 -5.458 22.239 1.00 74.24 N ATOM 1825 CA HIS A 109 4.996 -6.328 22.710 1.00 74.20 C ATOM 1826 C HIS A 109 6.359 -5.665 22.469 1.00 53.33 C ATOM 1827 O HIS A 109 6.683 -5.287 21.336 1.00 33.21 O ATOM 1828 CB HIS A 109 4.924 -7.712 22.027 1.00 44.23 C ATOM 1829 CG HIS A 109 5.977 -8.688 22.497 1.00 40.41 C ATOM 1830 ND1 HIS A 109 7.090 -9.013 21.752 1.00 62.32 N ATOM 1831 CD2 HIS A 109 6.082 -9.406 23.644 1.00 55.15 C ATOM 1832 CE1 HIS A 109 7.818 -9.896 22.405 1.00 31.34 C ATOM 1833 NE2 HIS A 109 7.234 -10.148 23.561 1.00 41.14 N ATOM 0 H HIS A 109 3.468 -5.785 21.384 1.00 74.24 H new ATOM 0 HA HIS A 109 4.874 -6.480 23.782 1.00 74.20 H new ATOM 0 HB2 HIS A 109 3.939 -8.143 22.206 1.00 44.23 H new ATOM 0 HB3 HIS A 109 5.022 -7.579 20.950 1.00 44.23 H new ATOM 0 HD2 HIS A 109 5.387 -9.396 24.470 1.00 55.15 H new ATOM 0 HE1 HIS A 109 8.738 -10.339 22.053 1.00 31.34 H new ATOM 0 HE2 HIS A 109 7.581 -10.788 24.275 1.00 41.14 H new ATOM 1842 N HIS A 110 7.126 -5.511 23.558 1.00 73.23 N ATOM 1843 CA HIS A 110 8.473 -4.935 23.513 1.00 71.41 C ATOM 1844 C HIS A 110 9.442 -5.913 22.806 1.00 34.20 C ATOM 1845 O HIS A 110 9.412 -7.126 23.123 1.00 15.15 O ATOM 1846 CB HIS A 110 8.976 -4.542 24.939 1.00 74.31 C ATOM 1847 CG HIS A 110 9.088 -5.665 25.947 1.00 3.41 C ATOM 1848 ND1 HIS A 110 8.041 -6.058 26.756 1.00 71.21 N ATOM 1849 CD2 HIS A 110 10.132 -6.472 26.283 1.00 10.24 C ATOM 1850 CE1 HIS A 110 8.435 -7.045 27.543 1.00 31.02 C ATOM 1851 NE2 HIS A 110 9.695 -7.317 27.275 1.00 53.50 N ATOM 1852 OXT HIS A 110 10.218 -5.472 21.935 1.00 36.87 O ATOM 0 H HIS A 110 6.827 -5.783 24.495 1.00 73.23 H new ATOM 0 HA HIS A 110 8.438 -4.013 22.933 1.00 71.41 H new ATOM 0 HB2 HIS A 110 9.955 -4.074 24.839 1.00 74.31 H new ATOM 0 HB3 HIS A 110 8.302 -3.787 25.343 1.00 74.31 H new ATOM 0 HD2 HIS A 110 11.121 -6.452 25.850 1.00 10.24 H new ATOM 0 HE1 HIS A 110 7.825 -7.544 28.282 1.00 31.02 H new ATOM 0 HE2 HIS A 110 10.256 -8.038 27.730 1.00 53.50 H new TER 1861 HIS A 110