USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 455 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 47 SER OG : rot 180:sc=-0.00209 USER MOD Set 1.2: A 48 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.62) USER MOD Single : A 52 GLN : amide:sc= -0.0564 K(o=-0.056,f=-1.9!) USER MOD Single : A 55 GLN : amide:sc= -1.75 K(o=-1.8,f=-3.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.941 F(o=-3!,f=-0.94) USER MOD Single : A 77 ASN : amide:sc= -1.34 X(o=-1.3,f=-0.99) USER MOD Single : A 80 GLN : amide:sc= -4.49! C(o=-4.5!,f=-4.3!) USER MOD Single : A 81 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.1!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -126:sc= 0.495 (180deg=-0.151) USER MOD Single : A 90 THR OG1 : rot 64:sc= 0.781 USER MOD Single : A 93 SER OG : rot -45:sc= 0.536 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -58:sc= 0.262 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 -2.003 1.092 -4.281 1.00 61.20 N ATOM 2 CA GLY A 46 -1.369 2.347 -4.639 1.00 44.01 C ATOM 3 C GLY A 46 -0.474 2.880 -3.537 1.00 71.43 C ATOM 4 O GLY A 46 -0.949 3.224 -2.455 1.00 61.10 O ATOM 0 HA2 GLY A 46 -0.780 2.207 -5.545 1.00 44.01 H new ATOM 0 HA3 GLY A 46 -2.137 3.086 -4.868 1.00 44.01 H new ATOM 8 N SER A 47 0.825 2.946 -3.812 1.00 13.12 N ATOM 9 CA SER A 47 1.789 3.435 -2.833 1.00 52.22 C ATOM 10 C SER A 47 2.680 4.515 -3.441 1.00 35.42 C ATOM 11 O SER A 47 3.145 4.386 -4.572 1.00 54.34 O ATOM 12 CB SER A 47 2.649 2.282 -2.313 1.00 34.15 C ATOM 13 OG SER A 47 3.814 2.766 -1.667 1.00 35.44 O ATOM 0 H SER A 47 1.234 2.667 -4.704 1.00 13.12 H new ATOM 0 HA SER A 47 1.236 3.870 -2.001 1.00 52.22 H new ATOM 0 HB2 SER A 47 2.069 1.676 -1.617 1.00 34.15 H new ATOM 0 HB3 SER A 47 2.932 1.633 -3.142 1.00 34.15 H new ATOM 0 HG SER A 47 4.346 2.010 -1.343 1.00 35.44 H new ATOM 19 N ASN A 48 2.912 5.579 -2.679 1.00 63.33 N ATOM 20 CA ASN A 48 3.747 6.682 -3.142 1.00 34.12 C ATOM 21 C ASN A 48 3.175 7.300 -4.414 1.00 13.43 C ATOM 22 O ASN A 48 3.713 7.138 -5.509 1.00 71.00 O ATOM 23 CB ASN A 48 5.175 6.197 -3.395 1.00 64.41 C ATOM 24 CG ASN A 48 5.626 5.168 -2.376 1.00 0.23 C ATOM 25 OD1 ASN A 48 6.052 4.070 -2.732 1.00 65.24 O ATOM 26 ND2 ASN A 48 5.533 5.521 -1.099 1.00 31.12 N ATOM 0 H ASN A 48 2.534 5.701 -1.739 1.00 63.33 H new ATOM 0 HA ASN A 48 3.762 7.445 -2.364 1.00 34.12 H new ATOM 0 HB2 ASN A 48 5.238 5.766 -4.394 1.00 64.41 H new ATOM 0 HB3 ASN A 48 5.854 7.049 -3.372 1.00 64.41 H new ATOM 0 HD21 ASN A 48 5.821 4.871 -0.368 1.00 31.12 H new ATOM 0 HD22 ASN A 48 5.174 6.442 -0.849 1.00 31.12 H new ATOM 33 N PRO A 49 2.057 8.028 -4.267 1.00 62.33 N ATOM 34 CA PRO A 49 1.388 8.686 -5.393 1.00 43.50 C ATOM 35 C PRO A 49 2.196 9.858 -5.942 1.00 73.54 C ATOM 36 O PRO A 49 3.354 10.053 -5.573 1.00 13.00 O ATOM 37 CB PRO A 49 0.074 9.182 -4.784 1.00 62.11 C ATOM 38 CG PRO A 49 0.365 9.337 -3.331 1.00 54.12 C ATOM 39 CD PRO A 49 1.361 8.264 -2.991 1.00 62.52 C ATOM 0 HA PRO A 49 1.254 8.011 -6.239 1.00 43.50 H new ATOM 0 HB2 PRO A 49 -0.236 10.127 -5.229 1.00 62.11 H new ATOM 0 HB3 PRO A 49 -0.734 8.470 -4.952 1.00 62.11 H new ATOM 0 HG2 PRO A 49 0.769 10.326 -3.117 1.00 54.12 H new ATOM 0 HG3 PRO A 49 -0.543 9.229 -2.738 1.00 54.12 H new ATOM 0 HD2 PRO A 49 2.050 8.588 -2.211 1.00 62.52 H new ATOM 0 HD3 PRO A 49 0.871 7.361 -2.628 1.00 62.52 H new ATOM 47 N ASP A 50 1.577 10.634 -6.826 1.00 24.43 N ATOM 48 CA ASP A 50 2.239 11.787 -7.425 1.00 54.00 C ATOM 49 C ASP A 50 1.381 13.040 -7.282 1.00 13.21 C ATOM 50 O ASP A 50 0.173 12.973 -7.051 1.00 62.40 O ATOM 51 CB ASP A 50 2.534 11.522 -8.902 1.00 71.01 C ATOM 52 CG ASP A 50 1.503 10.615 -9.545 1.00 21.01 C ATOM 53 OD1 ASP A 50 1.535 9.396 -9.276 1.00 64.43 O ATOM 54 OD2 ASP A 50 0.663 11.125 -10.316 1.00 24.42 O ATOM 0 H ASP A 50 0.619 10.485 -7.143 1.00 24.43 H new ATOM 0 HA ASP A 50 3.179 11.950 -6.898 1.00 54.00 H new ATOM 0 HB2 ASP A 50 2.565 12.470 -9.439 1.00 71.01 H new ATOM 0 HB3 ASP A 50 3.521 11.070 -8.997 1.00 71.01 H new ATOM 59 N PRO A 51 2.017 14.213 -7.421 1.00 23.43 N ATOM 60 CA PRO A 51 1.332 15.504 -7.310 1.00 73.42 C ATOM 61 C PRO A 51 0.392 15.763 -8.483 1.00 2.32 C ATOM 62 O PRO A 51 -0.329 16.760 -8.502 1.00 42.43 O ATOM 63 CB PRO A 51 2.480 16.516 -7.310 1.00 52.15 C ATOM 64 CG PRO A 51 3.591 15.829 -8.027 1.00 34.01 C ATOM 65 CD PRO A 51 3.455 14.368 -7.697 1.00 3.23 C ATOM 0 HA PRO A 51 0.701 15.556 -6.423 1.00 73.42 H new ATOM 0 HB2 PRO A 51 2.194 17.439 -7.815 1.00 52.15 H new ATOM 0 HB3 PRO A 51 2.771 16.785 -6.294 1.00 52.15 H new ATOM 0 HG2 PRO A 51 3.523 15.994 -9.102 1.00 34.01 H new ATOM 0 HG3 PRO A 51 4.559 16.213 -7.706 1.00 34.01 H new ATOM 0 HD2 PRO A 51 3.775 13.737 -8.526 1.00 3.23 H new ATOM 0 HD3 PRO A 51 4.062 14.093 -6.834 1.00 3.23 H new ATOM 73 N GLN A 52 0.406 14.860 -9.458 1.00 20.25 N ATOM 74 CA GLN A 52 -0.445 14.993 -10.634 1.00 34.33 C ATOM 75 C GLN A 52 -1.822 14.387 -10.380 1.00 70.15 C ATOM 76 O GLN A 52 -2.838 14.931 -10.811 1.00 11.54 O ATOM 77 CB GLN A 52 0.208 14.318 -11.841 1.00 74.40 C ATOM 78 CG GLN A 52 1.677 14.667 -12.012 1.00 62.03 C ATOM 79 CD GLN A 52 2.153 14.503 -13.442 1.00 42.13 C ATOM 80 OE1 GLN A 52 1.372 14.172 -14.335 1.00 10.33 O ATOM 81 NE2 GLN A 52 3.441 14.734 -13.668 1.00 1.41 N ATOM 0 H GLN A 52 0.997 14.029 -9.457 1.00 20.25 H new ATOM 0 HA GLN A 52 -0.569 16.055 -10.844 1.00 34.33 H new ATOM 0 HB2 GLN A 52 0.109 13.237 -11.740 1.00 74.40 H new ATOM 0 HB3 GLN A 52 -0.332 14.604 -12.743 1.00 74.40 H new ATOM 0 HG2 GLN A 52 1.841 15.697 -11.694 1.00 62.03 H new ATOM 0 HG3 GLN A 52 2.276 14.032 -11.359 1.00 62.03 H new ATOM 0 HE21 GLN A 52 4.053 15.006 -12.899 1.00 1.41 H new ATOM 0 HE22 GLN A 52 3.818 14.639 -14.611 1.00 1.41 H new ATOM 90 N GLU A 53 -1.846 13.257 -9.680 1.00 54.22 N ATOM 91 CA GLU A 53 -3.099 12.578 -9.371 1.00 60.44 C ATOM 92 C GLU A 53 -3.665 13.060 -8.039 1.00 34.30 C ATOM 93 O GLU A 53 -4.877 13.220 -7.888 1.00 44.42 O ATOM 94 CB GLU A 53 -2.886 11.063 -9.330 1.00 33.15 C ATOM 95 CG GLU A 53 -1.820 10.625 -8.340 1.00 2.13 C ATOM 96 CD GLU A 53 -1.632 9.121 -8.311 1.00 75.33 C ATOM 97 OE1 GLU A 53 -2.501 8.404 -8.851 1.00 21.23 O ATOM 98 OE2 GLU A 53 -0.616 8.661 -7.749 1.00 74.54 O ATOM 0 H GLU A 53 -1.013 12.793 -9.317 1.00 54.22 H new ATOM 0 HA GLU A 53 -3.816 12.816 -10.157 1.00 60.44 H new ATOM 0 HB2 GLU A 53 -3.828 10.579 -9.074 1.00 33.15 H new ATOM 0 HB3 GLU A 53 -2.610 10.716 -10.326 1.00 33.15 H new ATOM 0 HG2 GLU A 53 -0.874 11.101 -8.597 1.00 2.13 H new ATOM 0 HG3 GLU A 53 -2.091 10.973 -7.343 1.00 2.13 H new ATOM 105 N VAL A 54 -2.780 13.288 -7.074 1.00 50.22 N ATOM 106 CA VAL A 54 -3.190 13.752 -5.754 1.00 53.23 C ATOM 107 C VAL A 54 -3.777 15.158 -5.824 1.00 24.23 C ATOM 108 O VAL A 54 -4.886 15.402 -5.350 1.00 71.52 O ATOM 109 CB VAL A 54 -2.009 13.749 -4.766 1.00 21.11 C ATOM 110 CG1 VAL A 54 -2.464 14.204 -3.388 1.00 12.22 C ATOM 111 CG2 VAL A 54 -1.376 12.367 -4.698 1.00 3.41 C ATOM 0 H VAL A 54 -1.774 13.159 -7.182 1.00 50.22 H new ATOM 0 HA VAL A 54 -3.953 13.060 -5.398 1.00 53.23 H new ATOM 0 HB VAL A 54 -1.256 14.452 -5.124 1.00 21.11 H new ATOM 0 HG11 VAL A 54 -1.616 14.195 -2.704 1.00 12.22 H new ATOM 0 HG12 VAL A 54 -2.867 15.215 -3.453 1.00 12.22 H new ATOM 0 HG13 VAL A 54 -3.236 13.529 -3.018 1.00 12.22 H new ATOM 0 HG21 VAL A 54 -0.543 12.383 -3.995 1.00 3.41 H new ATOM 0 HG22 VAL A 54 -2.119 11.643 -4.364 1.00 3.41 H new ATOM 0 HG23 VAL A 54 -1.012 12.084 -5.686 1.00 3.41 H new ATOM 121 N GLN A 55 -3.024 16.078 -6.417 1.00 41.43 N ATOM 122 CA GLN A 55 -3.470 17.460 -6.548 1.00 44.54 C ATOM 123 C GLN A 55 -4.867 17.526 -7.155 1.00 15.43 C ATOM 124 O GLN A 55 -5.755 18.194 -6.622 1.00 63.44 O ATOM 125 CB GLN A 55 -2.488 18.255 -7.412 1.00 13.34 C ATOM 126 CG GLN A 55 -2.916 19.694 -7.651 1.00 53.23 C ATOM 127 CD GLN A 55 -1.739 20.626 -7.861 1.00 11.01 C ATOM 128 OE1 GLN A 55 -0.607 20.307 -7.495 1.00 14.42 O ATOM 129 NE2 GLN A 55 -2.000 21.786 -8.453 1.00 63.42 N ATOM 0 H GLN A 55 -2.103 15.892 -6.814 1.00 41.43 H new ATOM 0 HA GLN A 55 -3.506 17.900 -5.551 1.00 44.54 H new ATOM 0 HB2 GLN A 55 -1.509 18.251 -6.933 1.00 13.34 H new ATOM 0 HB3 GLN A 55 -2.374 17.754 -8.373 1.00 13.34 H new ATOM 0 HG2 GLN A 55 -3.567 19.735 -8.524 1.00 53.23 H new ATOM 0 HG3 GLN A 55 -3.502 20.041 -6.800 1.00 53.23 H new ATOM 0 HE21 GLN A 55 -2.953 22.009 -8.740 1.00 63.42 H new ATOM 0 HE22 GLN A 55 -1.247 22.454 -8.621 1.00 63.42 H new ATOM 138 N ARG A 56 -5.056 16.831 -8.271 1.00 73.51 N ATOM 139 CA ARG A 56 -6.346 16.812 -8.951 1.00 21.43 C ATOM 140 C ARG A 56 -7.454 16.367 -8.001 1.00 74.11 C ATOM 141 O ARG A 56 -8.621 16.711 -8.189 1.00 20.24 O ATOM 142 CB ARG A 56 -6.294 15.880 -10.163 1.00 20.11 C ATOM 143 CG ARG A 56 -5.481 16.433 -11.322 1.00 55.41 C ATOM 144 CD ARG A 56 -6.112 17.694 -11.893 1.00 33.12 C ATOM 145 NE ARG A 56 -7.487 17.468 -12.332 1.00 24.30 N ATOM 146 CZ ARG A 56 -7.805 16.799 -13.435 1.00 31.35 C ATOM 147 NH1 ARG A 56 -6.852 16.293 -14.205 1.00 75.34 N ATOM 148 NH2 ARG A 56 -9.079 16.634 -13.768 1.00 0.53 N ATOM 0 H ARG A 56 -4.332 16.273 -8.724 1.00 73.51 H new ATOM 0 HA ARG A 56 -6.565 17.825 -9.289 1.00 21.43 H new ATOM 0 HB2 ARG A 56 -5.871 14.923 -9.857 1.00 20.11 H new ATOM 0 HB3 ARG A 56 -7.311 15.684 -10.504 1.00 20.11 H new ATOM 0 HG2 ARG A 56 -4.468 16.652 -10.985 1.00 55.41 H new ATOM 0 HG3 ARG A 56 -5.401 15.678 -12.104 1.00 55.41 H new ATOM 0 HD2 ARG A 56 -6.097 18.480 -11.138 1.00 33.12 H new ATOM 0 HD3 ARG A 56 -5.516 18.048 -12.734 1.00 33.12 H new ATOM 0 HE ARG A 56 -8.244 17.844 -11.761 1.00 24.30 H new ATOM 0 HH11 ARG A 56 -5.872 16.417 -13.951 1.00 75.34 H new ATOM 0 HH12 ARG A 56 -7.099 15.780 -15.051 1.00 75.34 H new ATOM 0 HH21 ARG A 56 -9.815 17.021 -13.177 1.00 0.53 H new ATOM 0 HH22 ARG A 56 -9.322 16.120 -14.615 1.00 0.53 H new ATOM 162 N ALA A 57 -7.081 15.600 -6.982 1.00 30.01 N ATOM 163 CA ALA A 57 -8.043 15.110 -6.002 1.00 63.55 C ATOM 164 C ALA A 57 -8.287 16.143 -4.908 1.00 30.21 C ATOM 165 O ALA A 57 -9.343 16.153 -4.274 1.00 30.22 O ATOM 166 CB ALA A 57 -7.558 13.801 -5.397 1.00 32.43 C ATOM 0 H ALA A 57 -6.119 15.304 -6.813 1.00 30.01 H new ATOM 0 HA ALA A 57 -8.989 14.933 -6.514 1.00 63.55 H new ATOM 0 HB1 ALA A 57 -8.285 13.446 -4.667 1.00 32.43 H new ATOM 0 HB2 ALA A 57 -7.442 13.057 -6.185 1.00 32.43 H new ATOM 0 HB3 ALA A 57 -6.599 13.961 -4.905 1.00 32.43 H new ATOM 172 N LEU A 58 -7.305 17.010 -4.690 1.00 41.42 N ATOM 173 CA LEU A 58 -7.413 18.048 -3.671 1.00 10.42 C ATOM 174 C LEU A 58 -8.707 18.839 -3.834 1.00 33.13 C ATOM 175 O LEU A 58 -9.402 19.119 -2.857 1.00 71.05 O ATOM 176 CB LEU A 58 -6.212 18.993 -3.747 1.00 71.22 C ATOM 177 CG LEU A 58 -6.021 19.933 -2.556 1.00 63.25 C ATOM 178 CD1 LEU A 58 -7.052 21.050 -2.587 1.00 51.02 C ATOM 179 CD2 LEU A 58 -6.107 19.161 -1.248 1.00 60.41 C ATOM 0 H LEU A 58 -6.425 17.015 -5.205 1.00 41.42 H new ATOM 0 HA LEU A 58 -7.425 17.563 -2.695 1.00 10.42 H new ATOM 0 HB2 LEU A 58 -5.309 18.393 -3.859 1.00 71.22 H new ATOM 0 HB3 LEU A 58 -6.307 19.597 -4.649 1.00 71.22 H new ATOM 0 HG LEU A 58 -5.029 20.380 -2.626 1.00 63.25 H new ATOM 0 HD11 LEU A 58 -6.900 21.709 -1.732 1.00 51.02 H new ATOM 0 HD12 LEU A 58 -6.942 21.621 -3.509 1.00 51.02 H new ATOM 0 HD13 LEU A 58 -8.053 20.622 -2.542 1.00 51.02 H new ATOM 0 HD21 LEU A 58 -5.969 19.846 -0.411 1.00 60.41 H new ATOM 0 HD22 LEU A 58 -7.085 18.685 -1.170 1.00 60.41 H new ATOM 0 HD23 LEU A 58 -5.329 18.398 -1.224 1.00 60.41 H new ATOM 191 N ALA A 59 -9.026 19.194 -5.074 1.00 63.22 N ATOM 192 CA ALA A 59 -10.239 19.948 -5.366 1.00 25.04 C ATOM 193 C ALA A 59 -11.450 19.026 -5.454 1.00 52.31 C ATOM 194 O ALA A 59 -12.593 19.481 -5.396 1.00 21.54 O ATOM 195 CB ALA A 59 -10.074 20.733 -6.659 1.00 32.33 C ATOM 0 H ALA A 59 -8.461 18.971 -5.893 1.00 63.22 H new ATOM 0 HA ALA A 59 -10.408 20.649 -4.548 1.00 25.04 H new ATOM 0 HB1 ALA A 59 -10.987 21.291 -6.865 1.00 32.33 H new ATOM 0 HB2 ALA A 59 -9.239 21.427 -6.559 1.00 32.33 H new ATOM 0 HB3 ALA A 59 -9.877 20.044 -7.480 1.00 32.33 H new ATOM 201 N ARG A 60 -11.193 17.730 -5.596 1.00 42.21 N ATOM 202 CA ARG A 60 -12.263 16.745 -5.695 1.00 10.12 C ATOM 203 C ARG A 60 -12.891 16.486 -4.329 1.00 14.45 C ATOM 204 O ARG A 60 -13.889 15.773 -4.218 1.00 62.44 O ATOM 205 CB ARG A 60 -11.728 15.436 -6.278 1.00 41.00 C ATOM 206 CG ARG A 60 -11.467 15.498 -7.774 1.00 62.41 C ATOM 207 CD ARG A 60 -12.298 14.471 -8.527 1.00 53.24 C ATOM 208 NE ARG A 60 -13.677 14.916 -8.716 1.00 64.44 N ATOM 209 CZ ARG A 60 -14.504 14.384 -9.609 1.00 35.42 C ATOM 210 NH1 ARG A 60 -14.096 13.393 -10.389 1.00 64.03 N ATOM 211 NH2 ARG A 60 -15.744 14.842 -9.721 1.00 55.32 N ATOM 0 H ARG A 60 -10.253 17.338 -5.645 1.00 42.21 H new ATOM 0 HA ARG A 60 -13.030 17.144 -6.359 1.00 10.12 H new ATOM 0 HB2 ARG A 60 -10.802 15.172 -5.767 1.00 41.00 H new ATOM 0 HB3 ARG A 60 -12.443 14.639 -6.075 1.00 41.00 H new ATOM 0 HG2 ARG A 60 -11.698 16.497 -8.144 1.00 62.41 H new ATOM 0 HG3 ARG A 60 -10.409 15.324 -7.967 1.00 62.41 H new ATOM 0 HD2 ARG A 60 -11.843 14.278 -9.498 1.00 53.24 H new ATOM 0 HD3 ARG A 60 -12.293 13.528 -7.980 1.00 53.24 H new ATOM 0 HE ARG A 60 -14.023 15.676 -8.131 1.00 64.44 H new ATOM 0 HH11 ARG A 60 -13.144 13.036 -10.305 1.00 64.03 H new ATOM 0 HH12 ARG A 60 -14.734 12.987 -11.074 1.00 64.03 H new ATOM 0 HH21 ARG A 60 -16.063 15.603 -9.121 1.00 55.32 H new ATOM 0 HH22 ARG A 60 -16.379 14.433 -10.407 1.00 55.32 H new ATOM 225 N ILE A 61 -12.301 17.071 -3.291 1.00 71.44 N ATOM 226 CA ILE A 61 -12.803 16.904 -1.933 1.00 75.53 C ATOM 227 C ILE A 61 -14.221 17.450 -1.800 1.00 60.15 C ATOM 228 O ILE A 61 -14.954 17.087 -0.880 1.00 12.13 O ATOM 229 CB ILE A 61 -11.896 17.607 -0.907 1.00 20.11 C ATOM 230 CG1 ILE A 61 -10.469 17.062 -0.997 1.00 51.13 C ATOM 231 CG2 ILE A 61 -12.449 17.428 0.499 1.00 0.21 C ATOM 232 CD1 ILE A 61 -9.458 17.887 -0.233 1.00 3.22 C ATOM 0 H ILE A 61 -11.475 17.665 -3.365 1.00 71.44 H new ATOM 0 HA ILE A 61 -12.808 15.833 -1.728 1.00 75.53 H new ATOM 0 HB ILE A 61 -11.873 18.673 -1.135 1.00 20.11 H new ATOM 0 HG12 ILE A 61 -10.454 16.041 -0.617 1.00 51.13 H new ATOM 0 HG13 ILE A 61 -10.172 17.016 -2.045 1.00 51.13 H new ATOM 0 HG21 ILE A 61 -11.797 17.931 1.213 1.00 0.21 H new ATOM 0 HG22 ILE A 61 -13.449 17.859 0.554 1.00 0.21 H new ATOM 0 HG23 ILE A 61 -12.498 16.366 0.738 1.00 0.21 H new ATOM 0 HD11 ILE A 61 -8.469 17.442 -0.341 1.00 3.22 H new ATOM 0 HD12 ILE A 61 -9.444 18.903 -0.628 1.00 3.22 H new ATOM 0 HD13 ILE A 61 -9.731 17.912 0.822 1.00 3.22 H new ATOM 244 N LEU A 62 -14.602 18.323 -2.727 1.00 23.24 N ATOM 245 CA LEU A 62 -15.933 18.919 -2.715 1.00 32.30 C ATOM 246 C LEU A 62 -16.905 18.096 -3.555 1.00 52.41 C ATOM 247 O LEU A 62 -18.118 18.143 -3.345 1.00 44.41 O ATOM 248 CB LEU A 62 -15.876 20.354 -3.240 1.00 44.30 C ATOM 249 CG LEU A 62 -15.334 21.403 -2.268 1.00 53.20 C ATOM 250 CD1 LEU A 62 -15.162 22.742 -2.969 1.00 33.12 C ATOM 251 CD2 LEU A 62 -16.257 21.543 -1.066 1.00 40.00 C ATOM 0 H LEU A 62 -14.008 18.633 -3.496 1.00 23.24 H new ATOM 0 HA LEU A 62 -16.290 18.930 -1.685 1.00 32.30 H new ATOM 0 HB2 LEU A 62 -15.259 20.367 -4.138 1.00 44.30 H new ATOM 0 HB3 LEU A 62 -16.881 20.650 -3.540 1.00 44.30 H new ATOM 0 HG LEU A 62 -14.357 21.073 -1.915 1.00 53.20 H new ATOM 0 HD11 LEU A 62 -14.776 23.476 -2.262 1.00 33.12 H new ATOM 0 HD12 LEU A 62 -14.462 22.632 -3.797 1.00 33.12 H new ATOM 0 HD13 LEU A 62 -16.126 23.079 -3.351 1.00 33.12 H new ATOM 0 HD21 LEU A 62 -15.856 22.293 -0.385 1.00 40.00 H new ATOM 0 HD22 LEU A 62 -17.248 21.850 -1.402 1.00 40.00 H new ATOM 0 HD23 LEU A 62 -16.329 20.586 -0.549 1.00 40.00 H new ATOM 263 N CYS A 63 -16.365 17.342 -4.506 1.00 70.22 N ATOM 264 CA CYS A 63 -17.183 16.507 -5.378 1.00 11.05 C ATOM 265 C CYS A 63 -17.350 15.108 -4.791 1.00 44.11 C ATOM 266 O CYS A 63 -18.467 14.660 -4.535 1.00 42.11 O ATOM 267 CB CYS A 63 -16.555 16.417 -6.770 1.00 4.05 C ATOM 268 SG CYS A 63 -16.593 17.980 -7.705 1.00 73.53 S ATOM 0 H CYS A 63 -15.364 17.292 -4.693 1.00 70.22 H new ATOM 0 HA CYS A 63 -18.168 16.967 -5.461 1.00 11.05 H new ATOM 0 HB2 CYS A 63 -15.520 16.091 -6.669 1.00 4.05 H new ATOM 0 HB3 CYS A 63 -17.076 15.650 -7.343 1.00 4.05 H new ATOM 273 N ALA A 64 -16.230 14.424 -4.581 1.00 21.40 N ATOM 274 CA ALA A 64 -16.251 13.077 -4.023 1.00 10.21 C ATOM 275 C ALA A 64 -17.097 13.021 -2.756 1.00 14.43 C ATOM 276 O ALA A 64 -18.120 12.336 -2.709 1.00 51.35 O ATOM 277 CB ALA A 64 -14.834 12.603 -3.735 1.00 73.10 C ATOM 0 H ALA A 64 -15.297 14.780 -4.789 1.00 21.40 H new ATOM 0 HA ALA A 64 -16.702 12.412 -4.760 1.00 10.21 H new ATOM 0 HB1 ALA A 64 -14.865 11.596 -3.319 1.00 73.10 H new ATOM 0 HB2 ALA A 64 -14.258 12.596 -4.660 1.00 73.10 H new ATOM 0 HB3 ALA A 64 -14.363 13.277 -3.019 1.00 73.10 H new ATOM 283 N LEU A 65 -16.665 13.745 -1.729 1.00 52.10 N ATOM 284 CA LEU A 65 -17.383 13.778 -0.460 1.00 34.54 C ATOM 285 C LEU A 65 -17.415 12.395 0.184 1.00 64.12 C ATOM 286 O LEU A 65 -18.374 11.643 0.017 1.00 11.15 O ATOM 287 CB LEU A 65 -18.810 14.286 -0.671 1.00 53.43 C ATOM 288 CG LEU A 65 -19.075 15.735 -0.258 1.00 65.24 C ATOM 289 CD1 LEU A 65 -18.041 16.663 -0.877 1.00 52.24 C ATOM 290 CD2 LEU A 65 -20.481 16.156 -0.660 1.00 23.33 C ATOM 0 H LEU A 65 -15.821 14.317 -1.751 1.00 52.10 H new ATOM 0 HA LEU A 65 -16.856 14.459 0.209 1.00 34.54 H new ATOM 0 HB2 LEU A 65 -19.060 14.179 -1.726 1.00 53.43 H new ATOM 0 HB3 LEU A 65 -19.490 13.641 -0.115 1.00 53.43 H new ATOM 0 HG LEU A 65 -18.993 15.805 0.827 1.00 65.24 H new ATOM 0 HD11 LEU A 65 -18.245 17.690 -0.573 1.00 52.24 H new ATOM 0 HD12 LEU A 65 -17.045 16.375 -0.539 1.00 52.24 H new ATOM 0 HD13 LEU A 65 -18.091 16.590 -1.963 1.00 52.24 H new ATOM 0 HD21 LEU A 65 -20.652 17.189 -0.358 1.00 23.33 H new ATOM 0 HD22 LEU A 65 -20.591 16.071 -1.741 1.00 23.33 H new ATOM 0 HD23 LEU A 65 -21.209 15.510 -0.169 1.00 23.33 H new ATOM 302 N GLY A 66 -16.358 12.067 0.922 1.00 72.02 N ATOM 303 CA GLY A 66 -16.286 10.776 1.581 1.00 3.21 C ATOM 304 C GLY A 66 -15.207 9.886 0.996 1.00 52.10 C ATOM 305 O GLY A 66 -14.673 9.015 1.682 1.00 55.11 O ATOM 0 H GLY A 66 -15.551 12.672 1.075 1.00 72.02 H new ATOM 0 HA2 GLY A 66 -16.094 10.924 2.644 1.00 3.21 H new ATOM 0 HA3 GLY A 66 -17.250 10.275 1.498 1.00 3.21 H new ATOM 309 N GLU A 67 -14.887 10.104 -0.276 1.00 15.22 N ATOM 310 CA GLU A 67 -13.867 9.312 -0.953 1.00 12.42 C ATOM 311 C GLU A 67 -12.498 9.977 -0.839 1.00 32.11 C ATOM 312 O GLU A 67 -11.509 9.330 -0.493 1.00 5.54 O ATOM 313 CB GLU A 67 -14.233 9.122 -2.426 1.00 64.44 C ATOM 314 CG GLU A 67 -15.166 7.949 -2.675 1.00 61.31 C ATOM 315 CD GLU A 67 -15.964 8.099 -3.956 1.00 1.53 C ATOM 316 OE1 GLU A 67 -16.833 8.994 -4.010 1.00 55.42 O ATOM 317 OE2 GLU A 67 -15.719 7.323 -4.903 1.00 14.33 O ATOM 0 H GLU A 67 -15.319 10.822 -0.858 1.00 15.22 H new ATOM 0 HA GLU A 67 -13.819 8.336 -0.469 1.00 12.42 H new ATOM 0 HB2 GLU A 67 -14.703 10.034 -2.795 1.00 64.44 H new ATOM 0 HB3 GLU A 67 -13.320 8.978 -3.003 1.00 64.44 H new ATOM 0 HG2 GLU A 67 -14.583 7.029 -2.720 1.00 61.31 H new ATOM 0 HG3 GLU A 67 -15.852 7.850 -1.834 1.00 61.31 H new ATOM 324 N LEU A 68 -12.449 11.271 -1.133 1.00 54.40 N ATOM 325 CA LEU A 68 -11.202 12.025 -1.064 1.00 52.05 C ATOM 326 C LEU A 68 -10.634 12.010 0.351 1.00 10.20 C ATOM 327 O LEU A 68 -9.445 12.253 0.556 1.00 43.42 O ATOM 328 CB LEU A 68 -11.429 13.468 -1.520 1.00 33.50 C ATOM 329 CG LEU A 68 -10.355 14.061 -2.432 1.00 23.50 C ATOM 330 CD1 LEU A 68 -9.031 14.175 -1.692 1.00 41.53 C ATOM 331 CD2 LEU A 68 -10.195 13.215 -3.687 1.00 42.33 C ATOM 0 H LEU A 68 -13.258 11.821 -1.422 1.00 54.40 H new ATOM 0 HA LEU A 68 -10.482 11.549 -1.730 1.00 52.05 H new ATOM 0 HB2 LEU A 68 -12.386 13.517 -2.040 1.00 33.50 H new ATOM 0 HB3 LEU A 68 -11.514 14.098 -0.635 1.00 33.50 H new ATOM 0 HG LEU A 68 -10.669 15.061 -2.730 1.00 23.50 H new ATOM 0 HD11 LEU A 68 -8.278 14.599 -2.356 1.00 41.53 H new ATOM 0 HD12 LEU A 68 -9.154 14.822 -0.823 1.00 41.53 H new ATOM 0 HD13 LEU A 68 -8.711 13.186 -1.365 1.00 41.53 H new ATOM 0 HD21 LEU A 68 -9.426 13.652 -4.325 1.00 42.33 H new ATOM 0 HD22 LEU A 68 -9.903 12.202 -3.408 1.00 42.33 H new ATOM 0 HD23 LEU A 68 -11.141 13.184 -4.228 1.00 42.33 H new ATOM 343 N ASP A 69 -11.491 11.721 1.324 1.00 52.32 N ATOM 344 CA ASP A 69 -11.074 11.671 2.720 1.00 13.14 C ATOM 345 C ASP A 69 -9.998 10.610 2.928 1.00 10.23 C ATOM 346 O ASP A 69 -9.276 10.630 3.925 1.00 22.33 O ATOM 347 CB ASP A 69 -12.275 11.382 3.623 1.00 24.51 C ATOM 348 CG ASP A 69 -13.212 12.568 3.739 1.00 64.34 C ATOM 349 OD1 ASP A 69 -13.829 12.937 2.718 1.00 32.12 O ATOM 350 OD2 ASP A 69 -13.327 13.127 4.849 1.00 4.43 O ATOM 0 H ASP A 69 -12.479 11.518 1.171 1.00 52.32 H new ATOM 0 HA ASP A 69 -10.656 12.643 2.984 1.00 13.14 H new ATOM 0 HB2 ASP A 69 -12.824 10.526 3.230 1.00 24.51 H new ATOM 0 HB3 ASP A 69 -11.921 11.104 4.616 1.00 24.51 H new ATOM 355 N LYS A 70 -9.897 9.684 1.981 1.00 22.22 N ATOM 356 CA LYS A 70 -8.909 8.614 2.059 1.00 32.01 C ATOM 357 C LYS A 70 -7.585 9.050 1.439 1.00 33.43 C ATOM 358 O LYS A 70 -6.626 8.278 1.394 1.00 41.34 O ATOM 359 CB LYS A 70 -9.428 7.360 1.351 1.00 51.41 C ATOM 360 CG LYS A 70 -9.469 6.131 2.242 1.00 3.22 C ATOM 361 CD LYS A 70 -8.177 5.336 2.154 1.00 31.41 C ATOM 362 CE LYS A 70 -8.414 3.857 2.418 1.00 34.42 C ATOM 363 NZ LYS A 70 -7.155 3.068 2.327 1.00 25.12 N ATOM 0 H LYS A 70 -10.487 9.653 1.150 1.00 22.22 H new ATOM 0 HA LYS A 70 -8.739 8.386 3.111 1.00 32.01 H new ATOM 0 HB2 LYS A 70 -10.431 7.556 0.971 1.00 51.41 H new ATOM 0 HB3 LYS A 70 -8.795 7.152 0.488 1.00 51.41 H new ATOM 0 HG2 LYS A 70 -9.641 6.435 3.275 1.00 3.22 H new ATOM 0 HG3 LYS A 70 -10.308 5.498 1.952 1.00 3.22 H new ATOM 0 HD2 LYS A 70 -7.736 5.464 1.165 1.00 31.41 H new ATOM 0 HD3 LYS A 70 -7.459 5.725 2.876 1.00 31.41 H new ATOM 0 HE2 LYS A 70 -8.851 3.731 3.409 1.00 34.42 H new ATOM 0 HE3 LYS A 70 -9.137 3.471 1.699 1.00 34.42 H new ATOM 0 HZ1 LYS A 70 -7.359 2.065 2.513 1.00 25.12 H new ATOM 0 HZ2 LYS A 70 -6.751 3.168 1.374 1.00 25.12 H new ATOM 0 HZ3 LYS A 70 -6.474 3.419 3.030 1.00 25.12 H new ATOM 377 N LEU A 71 -7.539 10.289 0.965 1.00 51.43 N ATOM 378 CA LEU A 71 -6.331 10.828 0.349 1.00 55.51 C ATOM 379 C LEU A 71 -5.886 12.107 1.051 1.00 12.13 C ATOM 380 O LEU A 71 -4.695 12.321 1.278 1.00 52.01 O ATOM 381 CB LEU A 71 -6.573 11.106 -1.136 1.00 1.31 C ATOM 382 CG LEU A 71 -5.504 11.938 -1.845 1.00 52.44 C ATOM 383 CD1 LEU A 71 -5.359 11.498 -3.294 1.00 30.13 C ATOM 384 CD2 LEU A 71 -5.843 13.420 -1.768 1.00 74.11 C ATOM 0 H LEU A 71 -8.324 10.940 0.995 1.00 51.43 H new ATOM 0 HA LEU A 71 -5.539 10.086 0.450 1.00 55.51 H new ATOM 0 HB2 LEU A 71 -6.665 10.151 -1.654 1.00 1.31 H new ATOM 0 HB3 LEU A 71 -7.530 11.617 -1.238 1.00 1.31 H new ATOM 0 HG LEU A 71 -4.552 11.776 -1.340 1.00 52.44 H new ATOM 0 HD11 LEU A 71 -4.594 12.101 -3.783 1.00 30.13 H new ATOM 0 HD12 LEU A 71 -5.070 10.448 -3.328 1.00 30.13 H new ATOM 0 HD13 LEU A 71 -6.310 11.629 -3.811 1.00 30.13 H new ATOM 0 HD21 LEU A 71 -5.071 13.997 -2.278 1.00 74.11 H new ATOM 0 HD22 LEU A 71 -6.806 13.598 -2.247 1.00 74.11 H new ATOM 0 HD23 LEU A 71 -5.895 13.727 -0.724 1.00 74.11 H new ATOM 396 N VAL A 72 -6.851 12.954 1.396 1.00 73.12 N ATOM 397 CA VAL A 72 -6.559 14.210 2.076 1.00 54.12 C ATOM 398 C VAL A 72 -6.614 14.041 3.590 1.00 71.00 C ATOM 399 O VAL A 72 -6.975 14.967 4.317 1.00 60.11 O ATOM 400 CB VAL A 72 -7.546 15.317 1.658 1.00 64.11 C ATOM 401 CG1 VAL A 72 -8.921 15.060 2.255 1.00 41.21 C ATOM 402 CG2 VAL A 72 -7.021 16.683 2.075 1.00 61.44 C ATOM 0 H VAL A 72 -7.842 12.793 1.216 1.00 73.12 H new ATOM 0 HA VAL A 72 -5.551 14.502 1.782 1.00 54.12 H new ATOM 0 HB VAL A 72 -7.640 15.305 0.572 1.00 64.11 H new ATOM 0 HG11 VAL A 72 -9.604 15.852 1.949 1.00 41.21 H new ATOM 0 HG12 VAL A 72 -9.297 14.100 1.902 1.00 41.21 H new ATOM 0 HG13 VAL A 72 -8.848 15.044 3.342 1.00 41.21 H new ATOM 0 HG21 VAL A 72 -7.730 17.453 1.772 1.00 61.44 H new ATOM 0 HG22 VAL A 72 -6.896 16.710 3.158 1.00 61.44 H new ATOM 0 HG23 VAL A 72 -6.060 16.866 1.594 1.00 61.44 H new ATOM 412 N LYS A 73 -6.253 12.852 4.060 1.00 20.03 N ATOM 413 CA LYS A 73 -6.259 12.560 5.489 1.00 65.22 C ATOM 414 C LYS A 73 -4.851 12.246 5.985 1.00 2.15 C ATOM 415 O LYS A 73 -4.275 13.003 6.768 1.00 74.22 O ATOM 416 CB LYS A 73 -7.190 11.382 5.786 1.00 41.41 C ATOM 417 CG LYS A 73 -7.054 10.841 7.199 1.00 72.05 C ATOM 418 CD LYS A 73 -6.361 9.489 7.213 1.00 32.23 C ATOM 419 CE LYS A 73 -6.967 8.563 8.257 1.00 53.20 C ATOM 420 NZ LYS A 73 -6.212 8.604 9.540 1.00 71.32 N ATOM 0 H LYS A 73 -5.952 12.074 3.472 1.00 20.03 H new ATOM 0 HA LYS A 73 -6.622 13.444 6.014 1.00 65.22 H new ATOM 0 HB2 LYS A 73 -8.221 11.695 5.623 1.00 41.41 H new ATOM 0 HB3 LYS A 73 -6.985 10.580 5.077 1.00 41.41 H new ATOM 0 HG2 LYS A 73 -6.489 11.547 7.807 1.00 72.05 H new ATOM 0 HG3 LYS A 73 -8.041 10.750 7.651 1.00 72.05 H new ATOM 0 HD2 LYS A 73 -6.439 9.029 6.228 1.00 32.23 H new ATOM 0 HD3 LYS A 73 -5.299 9.625 7.418 1.00 32.23 H new ATOM 0 HE2 LYS A 73 -8.004 8.847 8.437 1.00 53.20 H new ATOM 0 HE3 LYS A 73 -6.978 7.542 7.875 1.00 53.20 H new ATOM 0 HZ1 LYS A 73 -6.656 7.960 10.225 1.00 71.32 H new ATOM 0 HZ2 LYS A 73 -5.229 8.308 9.374 1.00 71.32 H new ATOM 0 HZ3 LYS A 73 -6.223 9.573 9.918 1.00 71.32 H new ATOM 434 N ASP A 74 -4.302 11.127 5.525 1.00 3.52 N ATOM 435 CA ASP A 74 -2.960 10.715 5.921 1.00 50.31 C ATOM 436 C ASP A 74 -1.922 11.739 5.472 1.00 53.34 C ATOM 437 O ASP A 74 -1.475 12.571 6.261 1.00 33.43 O ATOM 438 CB ASP A 74 -2.630 9.344 5.331 1.00 61.55 C ATOM 439 CG ASP A 74 -1.156 9.005 5.441 1.00 34.14 C ATOM 440 OD1 ASP A 74 -0.702 8.692 6.562 1.00 42.00 O ATOM 441 OD2 ASP A 74 -0.458 9.052 4.408 1.00 62.24 O ATOM 0 H ASP A 74 -4.765 10.489 4.878 1.00 3.52 H new ATOM 0 HA ASP A 74 -2.933 10.650 7.009 1.00 50.31 H new ATOM 0 HB2 ASP A 74 -3.215 8.581 5.844 1.00 61.55 H new ATOM 0 HB3 ASP A 74 -2.928 9.322 4.283 1.00 61.55 H new ATOM 446 N GLN A 75 -1.544 11.671 4.199 1.00 3.44 N ATOM 447 CA GLN A 75 -0.557 12.592 3.646 1.00 31.33 C ATOM 448 C GLN A 75 -0.910 14.036 3.986 1.00 42.11 C ATOM 449 O GLN A 75 -0.028 14.881 4.138 1.00 12.10 O ATOM 450 CB GLN A 75 -0.463 12.420 2.129 1.00 1.42 C ATOM 451 CG GLN A 75 -1.810 12.218 1.455 1.00 72.30 C ATOM 452 CD GLN A 75 -2.132 10.755 1.223 1.00 75.30 C ATOM 453 OE1 GLN A 75 -3.081 10.229 1.989 1.00 32.11 O flip ATOM 454 NE2 GLN A 75 -1.535 10.104 0.365 1.00 73.44 N flip ATOM 0 H GLN A 75 -1.906 10.989 3.532 1.00 3.44 H new ATOM 0 HA GLN A 75 0.410 12.360 4.091 1.00 31.33 H new ATOM 0 HB2 GLN A 75 0.020 13.299 1.701 1.00 1.42 H new ATOM 0 HB3 GLN A 75 0.176 11.566 1.908 1.00 1.42 H new ATOM 0 HG2 GLN A 75 -2.591 12.665 2.070 1.00 72.30 H new ATOM 0 HG3 GLN A 75 -1.817 12.744 0.500 1.00 72.30 H new ATOM 0 HE21 GLN A 75 -0.812 10.548 -0.201 1.00 73.44 H new ATOM 0 HE22 GLN A 75 -1.763 9.120 0.221 1.00 73.44 H new ATOM 463 N ALA A 76 -2.205 14.312 4.103 1.00 45.23 N ATOM 464 CA ALA A 76 -2.673 15.654 4.426 1.00 74.12 C ATOM 465 C ALA A 76 -1.970 16.198 5.665 1.00 73.41 C ATOM 466 O ALA A 76 -1.868 17.409 5.850 1.00 11.44 O ATOM 467 CB ALA A 76 -4.181 15.651 4.631 1.00 51.14 C ATOM 0 H ALA A 76 -2.948 13.624 3.979 1.00 45.23 H new ATOM 0 HA ALA A 76 -2.432 16.308 3.588 1.00 74.12 H new ATOM 0 HB1 ALA A 76 -4.517 16.659 4.872 1.00 51.14 H new ATOM 0 HB2 ALA A 76 -4.672 15.313 3.718 1.00 51.14 H new ATOM 0 HB3 ALA A 76 -4.435 14.978 5.450 1.00 51.14 H new ATOM 473 N ASN A 77 -1.488 15.293 6.511 1.00 61.03 N ATOM 474 CA ASN A 77 -0.795 15.683 7.734 1.00 73.34 C ATOM 475 C ASN A 77 0.416 14.789 7.981 1.00 31.32 C ATOM 476 O ASN A 77 1.020 14.827 9.053 1.00 53.12 O ATOM 477 CB ASN A 77 -1.748 15.612 8.929 1.00 51.34 C ATOM 478 CG ASN A 77 -2.738 14.470 8.812 1.00 33.41 C ATOM 479 OD1 ASN A 77 -3.946 14.687 8.718 1.00 53.51 O ATOM 480 ND2 ASN A 77 -2.229 13.243 8.818 1.00 14.01 N ATOM 0 H ASN A 77 -1.564 14.285 6.372 1.00 61.03 H new ATOM 0 HA ASN A 77 -0.448 16.709 7.615 1.00 73.34 H new ATOM 0 HB2 ASN A 77 -1.169 15.495 9.845 1.00 51.34 H new ATOM 0 HB3 ASN A 77 -2.291 16.553 9.013 1.00 51.34 H new ATOM 0 HD21 ASN A 77 -2.846 12.434 8.743 1.00 14.01 H new ATOM 0 HD22 ASN A 77 -1.221 13.109 8.898 1.00 14.01 H new ATOM 487 N ALA A 78 0.765 13.985 6.982 1.00 23.12 N ATOM 488 CA ALA A 78 1.906 13.083 7.090 1.00 14.32 C ATOM 489 C ALA A 78 3.175 13.737 6.554 1.00 32.31 C ATOM 490 O ALA A 78 4.285 13.352 6.920 1.00 53.31 O ATOM 491 CB ALA A 78 1.624 11.785 6.348 1.00 1.12 C ATOM 0 H ALA A 78 0.274 13.940 6.089 1.00 23.12 H new ATOM 0 HA ALA A 78 2.063 12.859 8.145 1.00 14.32 H new ATOM 0 HB1 ALA A 78 2.484 11.121 6.437 1.00 1.12 H new ATOM 0 HB2 ALA A 78 0.747 11.303 6.779 1.00 1.12 H new ATOM 0 HB3 ALA A 78 1.439 12.000 5.296 1.00 1.12 H new ATOM 497 N GLY A 79 3.003 14.727 5.684 1.00 40.23 N ATOM 498 CA GLY A 79 4.144 15.417 5.111 1.00 52.43 C ATOM 499 C GLY A 79 3.878 15.906 3.701 1.00 75.23 C ATOM 500 O GLY A 79 4.599 16.760 3.187 1.00 11.42 O ATOM 0 H GLY A 79 2.094 15.064 5.366 1.00 40.23 H new ATOM 0 HA2 GLY A 79 4.406 16.265 5.743 1.00 52.43 H new ATOM 0 HA3 GLY A 79 5.004 14.747 5.104 1.00 52.43 H new ATOM 504 N GLN A 80 2.840 15.361 3.073 1.00 23.13 N ATOM 505 CA GLN A 80 2.483 15.745 1.713 1.00 50.31 C ATOM 506 C GLN A 80 3.725 16.106 0.905 1.00 23.00 C ATOM 507 O GLN A 80 3.965 17.276 0.608 1.00 24.14 O ATOM 508 CB GLN A 80 1.512 16.927 1.733 1.00 41.33 C ATOM 509 CG GLN A 80 1.987 18.091 2.588 1.00 23.42 C ATOM 510 CD GLN A 80 1.680 17.896 4.060 1.00 53.51 C ATOM 511 OE1 GLN A 80 2.559 18.027 4.912 1.00 31.11 O ATOM 512 NE2 GLN A 80 0.426 17.583 4.367 1.00 43.13 N ATOM 0 H GLN A 80 2.232 14.653 3.485 1.00 23.13 H new ATOM 0 HA GLN A 80 1.998 14.893 1.237 1.00 50.31 H new ATOM 0 HB2 GLN A 80 1.357 17.276 0.712 1.00 41.33 H new ATOM 0 HB3 GLN A 80 0.545 16.586 2.103 1.00 41.33 H new ATOM 0 HG2 GLN A 80 3.062 18.217 2.458 1.00 23.42 H new ATOM 0 HG3 GLN A 80 1.514 19.009 2.240 1.00 23.42 H new ATOM 0 HE21 GLN A 80 -0.271 17.484 3.628 1.00 43.13 H new ATOM 0 HE22 GLN A 80 0.160 17.441 5.341 1.00 43.13 H new ATOM 521 N GLN A 81 4.511 15.093 0.553 1.00 12.31 N ATOM 522 CA GLN A 81 5.729 15.305 -0.220 1.00 21.14 C ATOM 523 C GLN A 81 5.423 15.369 -1.712 1.00 52.33 C ATOM 524 O GLN A 81 6.263 15.783 -2.510 1.00 41.30 O ATOM 525 CB GLN A 81 6.735 14.187 0.059 1.00 45.02 C ATOM 526 CG GLN A 81 8.143 14.502 -0.422 1.00 73.44 C ATOM 527 CD GLN A 81 9.017 15.082 0.671 1.00 3.33 C ATOM 528 OE1 GLN A 81 8.777 14.859 1.858 1.00 24.12 O ATOM 529 NE2 GLN A 81 10.039 15.833 0.277 1.00 62.24 N ATOM 0 H GLN A 81 4.326 14.118 0.791 1.00 12.31 H new ATOM 0 HA GLN A 81 6.161 16.258 0.084 1.00 21.14 H new ATOM 0 HB2 GLN A 81 6.761 13.992 1.131 1.00 45.02 H new ATOM 0 HB3 GLN A 81 6.391 13.272 -0.423 1.00 45.02 H new ATOM 0 HG2 GLN A 81 8.604 13.592 -0.806 1.00 73.44 H new ATOM 0 HG3 GLN A 81 8.090 15.207 -1.252 1.00 73.44 H new ATOM 0 HE21 GLN A 81 10.201 15.992 -0.717 1.00 62.24 H new ATOM 0 HE22 GLN A 81 10.661 16.251 0.969 1.00 62.24 H new ATOM 538 N GLU A 82 4.214 14.957 -2.082 1.00 23.43 N ATOM 539 CA GLU A 82 3.799 14.967 -3.479 1.00 74.24 C ATOM 540 C GLU A 82 3.500 16.388 -3.948 1.00 3.10 C ATOM 541 O GLU A 82 4.311 17.010 -4.635 1.00 74.15 O ATOM 542 CB GLU A 82 2.564 14.084 -3.674 1.00 12.33 C ATOM 543 CG GLU A 82 2.894 12.650 -4.049 1.00 60.53 C ATOM 544 CD GLU A 82 3.695 11.936 -2.978 1.00 65.31 C ATOM 545 OE1 GLU A 82 4.941 12.010 -3.022 1.00 4.43 O ATOM 546 OE2 GLU A 82 3.078 11.303 -2.097 1.00 35.31 O ATOM 0 H GLU A 82 3.506 14.613 -1.434 1.00 23.43 H new ATOM 0 HA GLU A 82 4.619 14.570 -4.077 1.00 74.24 H new ATOM 0 HB2 GLU A 82 1.979 14.085 -2.755 1.00 12.33 H new ATOM 0 HB3 GLU A 82 1.936 14.519 -4.452 1.00 12.33 H new ATOM 0 HG2 GLU A 82 1.968 12.104 -4.230 1.00 60.53 H new ATOM 0 HG3 GLU A 82 3.456 12.643 -4.983 1.00 60.53 H new ATOM 553 N PHE A 83 2.331 16.896 -3.571 1.00 65.13 N ATOM 554 CA PHE A 83 1.924 18.243 -3.954 1.00 23.03 C ATOM 555 C PHE A 83 2.077 19.210 -2.783 1.00 52.02 C ATOM 556 O PHE A 83 2.455 18.814 -1.680 1.00 72.14 O ATOM 557 CB PHE A 83 0.474 18.241 -4.443 1.00 25.04 C ATOM 558 CG PHE A 83 -0.533 18.188 -3.330 1.00 73.32 C ATOM 559 CD1 PHE A 83 -0.982 16.971 -2.842 1.00 4.15 C ATOM 560 CD2 PHE A 83 -1.032 19.354 -2.773 1.00 3.13 C ATOM 561 CE1 PHE A 83 -1.909 16.919 -1.818 1.00 55.55 C ATOM 562 CE2 PHE A 83 -1.959 19.309 -1.749 1.00 75.31 C ATOM 563 CZ PHE A 83 -2.398 18.090 -1.271 1.00 31.42 C ATOM 0 H PHE A 83 1.649 16.395 -3.001 1.00 65.13 H new ATOM 0 HA PHE A 83 2.572 18.576 -4.765 1.00 23.03 H new ATOM 0 HB2 PHE A 83 0.299 19.137 -5.039 1.00 25.04 H new ATOM 0 HB3 PHE A 83 0.322 17.386 -5.101 1.00 25.04 H new ATOM 0 HD1 PHE A 83 -0.603 16.053 -3.267 1.00 4.15 H new ATOM 0 HD2 PHE A 83 -0.692 20.310 -3.143 1.00 3.13 H new ATOM 0 HE1 PHE A 83 -2.251 15.964 -1.446 1.00 55.55 H new ATOM 0 HE2 PHE A 83 -2.340 20.226 -1.323 1.00 75.31 H new ATOM 0 HZ PHE A 83 -3.122 18.052 -0.471 1.00 31.42 H new ATOM 573 N LYS A 84 1.781 20.481 -3.032 1.00 15.25 N ATOM 574 CA LYS A 84 1.883 21.507 -2.000 1.00 62.22 C ATOM 575 C LYS A 84 0.819 22.582 -2.195 1.00 1.34 C ATOM 576 O LYS A 84 1.088 23.640 -2.765 1.00 41.32 O ATOM 577 CB LYS A 84 3.275 22.142 -2.021 1.00 3.15 C ATOM 578 CG LYS A 84 3.703 22.627 -3.395 1.00 74.01 C ATOM 579 CD LYS A 84 5.212 22.768 -3.492 1.00 64.11 C ATOM 580 CE LYS A 84 5.612 23.748 -4.585 1.00 74.40 C ATOM 581 NZ LYS A 84 5.643 23.100 -5.926 1.00 2.23 N ATOM 0 H LYS A 84 1.468 20.826 -3.940 1.00 15.25 H new ATOM 0 HA LYS A 84 1.721 21.032 -1.032 1.00 62.22 H new ATOM 0 HB2 LYS A 84 3.292 22.982 -1.327 1.00 3.15 H new ATOM 0 HB3 LYS A 84 4.002 21.415 -1.659 1.00 3.15 H new ATOM 0 HG2 LYS A 84 3.353 21.928 -4.154 1.00 74.01 H new ATOM 0 HG3 LYS A 84 3.233 23.588 -3.605 1.00 74.01 H new ATOM 0 HD2 LYS A 84 5.609 23.107 -2.535 1.00 64.11 H new ATOM 0 HD3 LYS A 84 5.657 21.794 -3.695 1.00 64.11 H new ATOM 0 HE2 LYS A 84 4.910 24.581 -4.600 1.00 74.40 H new ATOM 0 HE3 LYS A 84 6.594 24.163 -4.359 1.00 74.40 H new ATOM 0 HZ1 LYS A 84 5.920 23.800 -6.644 1.00 2.23 H new ATOM 0 HZ2 LYS A 84 6.332 22.321 -5.919 1.00 2.23 H new ATOM 0 HZ3 LYS A 84 4.699 22.726 -6.153 1.00 2.23 H new ATOM 595 N LEU A 85 -0.389 22.306 -1.716 1.00 41.10 N ATOM 596 CA LEU A 85 -1.494 23.251 -1.836 1.00 2.12 C ATOM 597 C LEU A 85 -2.369 23.226 -0.587 1.00 54.20 C ATOM 598 O LEU A 85 -2.511 22.202 0.081 1.00 32.03 O ATOM 599 CB LEU A 85 -2.337 22.927 -3.070 1.00 62.42 C ATOM 600 CG LEU A 85 -1.946 23.651 -4.359 1.00 72.21 C ATOM 601 CD1 LEU A 85 -2.068 22.718 -5.554 1.00 30.54 C ATOM 602 CD2 LEU A 85 -2.808 24.889 -4.557 1.00 52.12 C ATOM 0 H LEU A 85 -0.628 21.436 -1.241 1.00 41.10 H new ATOM 0 HA LEU A 85 -1.074 24.251 -1.944 1.00 2.12 H new ATOM 0 HB2 LEU A 85 -2.284 21.853 -3.250 1.00 62.42 H new ATOM 0 HB3 LEU A 85 -3.378 23.162 -2.846 1.00 62.42 H new ATOM 0 HG LEU A 85 -0.906 23.966 -4.275 1.00 72.21 H new ATOM 0 HD11 LEU A 85 -1.786 23.251 -6.462 1.00 30.54 H new ATOM 0 HD12 LEU A 85 -1.408 21.862 -5.416 1.00 30.54 H new ATOM 0 HD13 LEU A 85 -3.098 22.372 -5.642 1.00 30.54 H new ATOM 0 HD21 LEU A 85 -2.516 25.392 -5.479 1.00 52.12 H new ATOM 0 HD22 LEU A 85 -3.856 24.596 -4.619 1.00 52.12 H new ATOM 0 HD23 LEU A 85 -2.670 25.567 -3.715 1.00 52.12 H new ATOM 614 N PRO A 86 -2.973 24.380 -0.264 1.00 72.43 N ATOM 615 CA PRO A 86 -3.848 24.515 0.904 1.00 1.32 C ATOM 616 C PRO A 86 -5.162 23.761 0.735 1.00 33.02 C ATOM 617 O PRO A 86 -5.605 23.508 -0.385 1.00 74.23 O ATOM 618 CB PRO A 86 -4.103 26.023 0.983 1.00 22.43 C ATOM 619 CG PRO A 86 -3.914 26.512 -0.411 1.00 0.41 C ATOM 620 CD PRO A 86 -2.849 25.640 -1.016 1.00 30.03 C ATOM 0 HA PRO A 86 -3.395 24.097 1.803 1.00 1.32 H new ATOM 0 HB2 PRO A 86 -5.109 26.236 1.344 1.00 22.43 H new ATOM 0 HB3 PRO A 86 -3.408 26.507 1.670 1.00 22.43 H new ATOM 0 HG2 PRO A 86 -4.843 26.444 -0.978 1.00 0.41 H new ATOM 0 HG3 PRO A 86 -3.612 27.559 -0.419 1.00 0.41 H new ATOM 0 HD2 PRO A 86 -3.011 25.489 -2.083 1.00 30.03 H new ATOM 0 HD3 PRO A 86 -1.858 26.079 -0.904 1.00 30.03 H new ATOM 628 N LYS A 87 -5.783 23.404 1.855 1.00 45.33 N ATOM 629 CA LYS A 87 -7.048 22.680 1.832 1.00 42.14 C ATOM 630 C LYS A 87 -8.228 23.646 1.872 1.00 31.51 C ATOM 631 O LYS A 87 -9.385 23.226 1.891 1.00 73.31 O ATOM 632 CB LYS A 87 -7.127 21.712 3.014 1.00 24.21 C ATOM 633 CG LYS A 87 -6.528 22.266 4.295 1.00 10.32 C ATOM 634 CD LYS A 87 -7.153 23.599 4.671 1.00 3.52 C ATOM 635 CE LYS A 87 -7.015 23.879 6.160 1.00 52.41 C ATOM 636 NZ LYS A 87 -7.372 25.286 6.495 1.00 21.31 N ATOM 0 H LYS A 87 -5.430 23.605 2.791 1.00 45.33 H new ATOM 0 HA LYS A 87 -7.097 22.113 0.903 1.00 42.14 H new ATOM 0 HB2 LYS A 87 -8.171 21.454 3.193 1.00 24.21 H new ATOM 0 HB3 LYS A 87 -6.611 20.788 2.751 1.00 24.21 H new ATOM 0 HG2 LYS A 87 -6.676 21.552 5.105 1.00 10.32 H new ATOM 0 HG3 LYS A 87 -5.452 22.389 4.171 1.00 10.32 H new ATOM 0 HD2 LYS A 87 -6.676 24.398 4.104 1.00 3.52 H new ATOM 0 HD3 LYS A 87 -8.208 23.598 4.396 1.00 3.52 H new ATOM 0 HE2 LYS A 87 -7.657 23.198 6.719 1.00 52.41 H new ATOM 0 HE3 LYS A 87 -5.990 23.680 6.474 1.00 52.41 H new ATOM 0 HZ1 LYS A 87 -6.589 25.728 7.018 1.00 21.31 H new ATOM 0 HZ2 LYS A 87 -7.547 25.818 5.619 1.00 21.31 H new ATOM 0 HZ3 LYS A 87 -8.230 25.296 7.083 1.00 21.31 H new ATOM 650 N ASP A 88 -7.928 24.940 1.884 1.00 62.52 N ATOM 651 CA ASP A 88 -8.964 25.965 1.919 1.00 34.32 C ATOM 652 C ASP A 88 -9.249 26.498 0.519 1.00 40.33 C ATOM 653 O ASP A 88 -10.318 27.052 0.259 1.00 22.42 O ATOM 654 CB ASP A 88 -8.546 27.112 2.840 1.00 22.22 C ATOM 655 CG ASP A 88 -9.233 27.050 4.190 1.00 4.34 C ATOM 656 OD1 ASP A 88 -10.404 26.620 4.242 1.00 60.34 O ATOM 657 OD2 ASP A 88 -8.598 27.432 5.196 1.00 74.20 O ATOM 0 H ASP A 88 -6.975 25.304 1.870 1.00 62.52 H new ATOM 0 HA ASP A 88 -9.876 25.512 2.308 1.00 34.32 H new ATOM 0 HB2 ASP A 88 -7.466 27.084 2.984 1.00 22.22 H new ATOM 0 HB3 ASP A 88 -8.779 28.063 2.360 1.00 22.22 H new ATOM 662 N PHE A 89 -8.285 26.329 -0.380 1.00 52.35 N ATOM 663 CA PHE A 89 -8.431 26.796 -1.754 1.00 71.24 C ATOM 664 C PHE A 89 -9.691 26.219 -2.394 1.00 11.35 C ATOM 665 O PHE A 89 -10.239 26.788 -3.338 1.00 42.44 O ATOM 666 CB PHE A 89 -7.203 26.407 -2.580 1.00 51.35 C ATOM 667 CG PHE A 89 -7.396 26.582 -4.060 1.00 31.13 C ATOM 668 CD1 PHE A 89 -7.392 27.846 -4.628 1.00 32.50 C ATOM 669 CD2 PHE A 89 -7.582 25.482 -4.882 1.00 1.20 C ATOM 670 CE1 PHE A 89 -7.569 28.010 -5.989 1.00 31.30 C ATOM 671 CE2 PHE A 89 -7.759 25.640 -6.244 1.00 1.15 C ATOM 672 CZ PHE A 89 -7.754 26.905 -6.798 1.00 3.44 C ATOM 0 H PHE A 89 -7.395 25.872 -0.182 1.00 52.35 H new ATOM 0 HA PHE A 89 -8.519 27.882 -1.735 1.00 71.24 H new ATOM 0 HB2 PHE A 89 -6.353 27.009 -2.259 1.00 51.35 H new ATOM 0 HB3 PHE A 89 -6.952 25.366 -2.375 1.00 51.35 H new ATOM 0 HD1 PHE A 89 -7.249 28.713 -4.000 1.00 32.50 H new ATOM 0 HD2 PHE A 89 -7.589 24.490 -4.454 1.00 1.20 H new ATOM 0 HE1 PHE A 89 -7.563 29.000 -6.420 1.00 31.30 H new ATOM 0 HE2 PHE A 89 -7.901 24.775 -6.874 1.00 1.15 H new ATOM 0 HZ PHE A 89 -7.894 27.030 -7.861 1.00 3.44 H new ATOM 682 N THR A 90 -10.146 25.084 -1.871 1.00 53.55 N ATOM 683 CA THR A 90 -11.340 24.429 -2.391 1.00 22.12 C ATOM 684 C THR A 90 -12.603 25.010 -1.765 1.00 64.00 C ATOM 685 O THR A 90 -13.435 24.279 -1.231 1.00 34.21 O ATOM 686 CB THR A 90 -11.304 22.911 -2.132 1.00 73.24 C ATOM 687 OG1 THR A 90 -11.485 22.647 -0.737 1.00 24.04 O ATOM 688 CG2 THR A 90 -9.986 22.313 -2.601 1.00 32.14 C ATOM 0 H THR A 90 -9.706 24.600 -1.088 1.00 53.55 H new ATOM 0 HA THR A 90 -11.356 24.607 -3.466 1.00 22.12 H new ATOM 0 HB THR A 90 -12.115 22.449 -2.696 1.00 73.24 H new ATOM 0 HG1 THR A 90 -12.378 22.943 -0.461 1.00 24.04 H new ATOM 0 HG21 THR A 90 -9.984 21.240 -2.408 1.00 32.14 H new ATOM 0 HG22 THR A 90 -9.866 22.489 -3.670 1.00 32.14 H new ATOM 0 HG23 THR A 90 -9.162 22.780 -2.062 1.00 32.14 H new ATOM 696 N GLY A 91 -12.739 26.331 -1.835 1.00 62.25 N ATOM 697 CA GLY A 91 -13.904 26.987 -1.272 1.00 41.41 C ATOM 698 C GLY A 91 -15.081 27.001 -2.227 1.00 64.35 C ATOM 699 O GLY A 91 -16.213 27.266 -1.824 1.00 72.32 O ATOM 0 H GLY A 91 -12.063 26.958 -2.272 1.00 62.25 H new ATOM 0 HA2 GLY A 91 -14.193 26.480 -0.352 1.00 41.41 H new ATOM 0 HA3 GLY A 91 -13.646 28.011 -1.004 1.00 41.41 H new ATOM 703 N ARG A 92 -14.813 26.716 -3.498 1.00 22.24 N ATOM 704 CA ARG A 92 -15.858 26.699 -4.514 1.00 32.03 C ATOM 705 C ARG A 92 -15.286 26.319 -5.876 1.00 41.33 C ATOM 706 O ARG A 92 -14.397 26.993 -6.397 1.00 23.12 O ATOM 707 CB ARG A 92 -16.539 28.066 -4.598 1.00 14.13 C ATOM 708 CG ARG A 92 -15.565 29.232 -4.618 1.00 5.12 C ATOM 709 CD ARG A 92 -16.100 30.392 -5.443 1.00 31.22 C ATOM 710 NE ARG A 92 -17.152 31.122 -4.742 1.00 15.44 N ATOM 711 CZ ARG A 92 -17.770 32.185 -5.245 1.00 41.31 C ATOM 712 NH1 ARG A 92 -17.442 32.639 -6.447 1.00 72.11 N ATOM 713 NH2 ARG A 92 -18.718 32.796 -4.546 1.00 41.41 N ATOM 0 H ARG A 92 -13.881 26.494 -3.848 1.00 22.24 H new ATOM 0 HA ARG A 92 -16.596 25.950 -4.228 1.00 32.03 H new ATOM 0 HB2 ARG A 92 -17.153 28.102 -5.498 1.00 14.13 H new ATOM 0 HB3 ARG A 92 -17.212 28.180 -3.748 1.00 14.13 H new ATOM 0 HG2 ARG A 92 -15.376 29.567 -3.598 1.00 5.12 H new ATOM 0 HG3 ARG A 92 -14.610 28.903 -5.028 1.00 5.12 H new ATOM 0 HD2 ARG A 92 -15.284 31.073 -5.683 1.00 31.22 H new ATOM 0 HD3 ARG A 92 -16.489 30.015 -6.389 1.00 31.22 H new ATOM 0 HE ARG A 92 -17.428 30.798 -3.815 1.00 15.44 H new ATOM 0 HH11 ARG A 92 -16.714 32.172 -6.987 1.00 72.11 H new ATOM 0 HH12 ARG A 92 -17.918 33.455 -6.831 1.00 72.11 H new ATOM 0 HH21 ARG A 92 -18.973 32.450 -3.621 1.00 41.41 H new ATOM 0 HH22 ARG A 92 -19.192 33.612 -4.934 1.00 41.41 H new ATOM 727 N SER A 93 -15.802 25.236 -6.448 1.00 42.02 N ATOM 728 CA SER A 93 -15.339 24.764 -7.748 1.00 54.01 C ATOM 729 C SER A 93 -16.512 24.572 -8.705 1.00 50.41 C ATOM 730 O SER A 93 -16.389 23.903 -9.731 1.00 20.42 O ATOM 731 CB SER A 93 -14.572 23.449 -7.594 1.00 14.35 C ATOM 732 OG SER A 93 -13.914 23.099 -8.798 1.00 65.31 O ATOM 0 H SER A 93 -16.541 24.669 -6.032 1.00 42.02 H new ATOM 0 HA SER A 93 -14.672 25.519 -8.164 1.00 54.01 H new ATOM 0 HB2 SER A 93 -13.841 23.542 -6.790 1.00 14.35 H new ATOM 0 HB3 SER A 93 -15.261 22.654 -7.308 1.00 14.35 H new ATOM 0 HG SER A 93 -14.524 23.229 -9.554 1.00 65.31 H new ATOM 738 N LYS A 94 -17.650 25.166 -8.362 1.00 74.40 N ATOM 739 CA LYS A 94 -18.847 25.063 -9.189 1.00 43.12 C ATOM 740 C LYS A 94 -19.322 23.617 -9.281 1.00 71.43 C ATOM 741 O LYS A 94 -20.119 23.269 -10.153 1.00 60.33 O ATOM 742 CB LYS A 94 -18.571 25.611 -10.591 1.00 63.33 C ATOM 743 CG LYS A 94 -17.690 26.848 -10.599 1.00 1.04 C ATOM 744 CD LYS A 94 -18.060 27.789 -11.733 1.00 4.12 C ATOM 745 CE LYS A 94 -16.891 28.682 -12.120 1.00 3.24 C ATOM 746 NZ LYS A 94 -17.133 29.385 -13.410 1.00 21.01 N ATOM 0 H LYS A 94 -17.769 25.724 -7.517 1.00 74.40 H new ATOM 0 HA LYS A 94 -19.634 25.656 -8.722 1.00 43.12 H new ATOM 0 HB2 LYS A 94 -18.096 24.833 -11.189 1.00 63.33 H new ATOM 0 HB3 LYS A 94 -19.520 25.848 -11.072 1.00 63.33 H new ATOM 0 HG2 LYS A 94 -17.785 27.370 -9.647 1.00 1.04 H new ATOM 0 HG3 LYS A 94 -16.646 26.551 -10.697 1.00 1.04 H new ATOM 0 HD2 LYS A 94 -18.379 27.209 -12.599 1.00 4.12 H new ATOM 0 HD3 LYS A 94 -18.907 28.406 -11.433 1.00 4.12 H new ATOM 0 HE2 LYS A 94 -16.719 29.416 -11.333 1.00 3.24 H new ATOM 0 HE3 LYS A 94 -15.985 28.081 -12.198 1.00 3.24 H new ATOM 0 HZ1 LYS A 94 -16.314 29.983 -13.638 1.00 21.01 H new ATOM 0 HZ2 LYS A 94 -17.272 28.685 -14.166 1.00 21.01 H new ATOM 0 HZ3 LYS A 94 -17.983 29.979 -13.328 1.00 21.01 H new ATOM 760 N CYS A 95 -18.830 22.778 -8.376 1.00 24.10 N ATOM 761 CA CYS A 95 -19.204 21.369 -8.354 1.00 15.30 C ATOM 762 C CYS A 95 -20.652 21.199 -7.903 1.00 32.42 C ATOM 763 O CYS A 95 -21.219 20.110 -8.000 1.00 54.32 O ATOM 764 CB CYS A 95 -18.274 20.587 -7.425 1.00 62.34 C ATOM 765 SG CYS A 95 -18.413 18.777 -7.586 1.00 1.44 S ATOM 0 H CYS A 95 -18.170 23.050 -7.647 1.00 24.10 H new ATOM 0 HA CYS A 95 -19.108 20.977 -9.367 1.00 15.30 H new ATOM 0 HB2 CYS A 95 -17.244 20.881 -7.628 1.00 62.34 H new ATOM 0 HB3 CYS A 95 -18.489 20.867 -6.394 1.00 62.34 H new ATOM 770 N ARG A 96 -21.244 22.282 -7.409 1.00 61.53 N ATOM 771 CA ARG A 96 -22.625 22.252 -6.942 1.00 64.12 C ATOM 772 C ARG A 96 -22.774 21.317 -5.745 1.00 42.42 C ATOM 773 O ARG A 96 -23.858 20.799 -5.481 1.00 74.55 O ATOM 774 CB ARG A 96 -23.557 21.806 -8.070 1.00 14.51 C ATOM 775 CG ARG A 96 -24.984 22.306 -7.913 1.00 34.30 C ATOM 776 CD ARG A 96 -25.987 21.166 -8.010 1.00 10.52 C ATOM 777 NE ARG A 96 -25.931 20.496 -9.306 1.00 43.52 N ATOM 778 CZ ARG A 96 -26.462 20.997 -10.416 1.00 43.50 C ATOM 779 NH1 ARG A 96 -27.085 22.167 -10.387 1.00 41.32 N ATOM 780 NH2 ARG A 96 -26.369 20.328 -11.558 1.00 13.10 N ATOM 0 H ARG A 96 -20.789 23.191 -7.322 1.00 61.53 H new ATOM 0 HA ARG A 96 -22.899 23.260 -6.630 1.00 64.12 H new ATOM 0 HB2 ARG A 96 -23.159 22.161 -9.021 1.00 14.51 H new ATOM 0 HB3 ARG A 96 -23.565 20.717 -8.114 1.00 14.51 H new ATOM 0 HG2 ARG A 96 -25.092 22.806 -6.951 1.00 34.30 H new ATOM 0 HG3 ARG A 96 -25.198 23.047 -8.683 1.00 34.30 H new ATOM 0 HD2 ARG A 96 -25.791 20.442 -7.219 1.00 10.52 H new ATOM 0 HD3 ARG A 96 -26.993 21.553 -7.845 1.00 10.52 H new ATOM 0 HE ARG A 96 -25.458 19.594 -9.362 1.00 43.52 H new ATOM 0 HH11 ARG A 96 -27.157 22.685 -9.511 1.00 41.32 H new ATOM 0 HH12 ARG A 96 -27.492 22.549 -11.241 1.00 41.32 H new ATOM 0 HH21 ARG A 96 -25.889 19.428 -11.584 1.00 13.10 H new ATOM 0 HH22 ARG A 96 -26.777 20.714 -12.410 1.00 13.10 H new ATOM 794 N SER A 97 -21.677 21.107 -5.025 1.00 3.43 N ATOM 795 CA SER A 97 -21.684 20.232 -3.858 1.00 52.14 C ATOM 796 C SER A 97 -20.739 20.755 -2.781 1.00 20.21 C ATOM 797 O SER A 97 -19.933 20.005 -2.228 1.00 71.12 O ATOM 798 CB SER A 97 -21.284 18.811 -4.258 1.00 64.24 C ATOM 799 OG SER A 97 -21.490 17.903 -3.190 1.00 71.02 O ATOM 0 H SER A 97 -20.772 21.531 -5.229 1.00 3.43 H new ATOM 0 HA SER A 97 -22.695 20.216 -3.452 1.00 52.14 H new ATOM 0 HB2 SER A 97 -21.866 18.496 -5.124 1.00 64.24 H new ATOM 0 HB3 SER A 97 -20.236 18.795 -4.556 1.00 64.24 H new ATOM 0 HG SER A 97 -20.973 18.193 -2.410 1.00 71.02 H new ATOM 805 N LEU A 98 -20.844 22.046 -2.487 1.00 45.11 N ATOM 806 CA LEU A 98 -19.999 22.671 -1.475 1.00 43.55 C ATOM 807 C LEU A 98 -20.709 22.720 -0.127 1.00 32.44 C ATOM 808 O LEU A 98 -20.168 22.281 0.888 1.00 41.54 O ATOM 809 CB LEU A 98 -19.610 24.085 -1.911 1.00 3.44 C ATOM 810 CG LEU A 98 -19.114 24.232 -3.350 1.00 14.42 C ATOM 811 CD1 LEU A 98 -18.252 23.043 -3.742 1.00 22.35 C ATOM 812 CD2 LEU A 98 -20.289 24.379 -4.306 1.00 12.53 C ATOM 0 H LEU A 98 -21.505 22.680 -2.935 1.00 45.11 H new ATOM 0 HA LEU A 98 -19.097 22.069 -1.367 1.00 43.55 H new ATOM 0 HB2 LEU A 98 -20.475 24.735 -1.778 1.00 3.44 H new ATOM 0 HB3 LEU A 98 -18.831 24.449 -1.241 1.00 3.44 H new ATOM 0 HG LEU A 98 -18.504 25.133 -3.413 1.00 14.42 H new ATOM 0 HD11 LEU A 98 -17.908 23.166 -4.769 1.00 22.35 H new ATOM 0 HD12 LEU A 98 -17.391 22.982 -3.076 1.00 22.35 H new ATOM 0 HD13 LEU A 98 -18.837 22.127 -3.662 1.00 22.35 H new ATOM 0 HD21 LEU A 98 -19.918 24.483 -5.326 1.00 12.53 H new ATOM 0 HD22 LEU A 98 -20.925 23.496 -4.239 1.00 12.53 H new ATOM 0 HD23 LEU A 98 -20.867 25.264 -4.039 1.00 12.53 H new ATOM 824 N GLY A 99 -21.927 23.254 -0.123 1.00 61.34 N ATOM 825 CA GLY A 99 -22.693 23.347 1.106 1.00 43.22 C ATOM 826 C GLY A 99 -23.697 24.482 1.078 1.00 3.54 C ATOM 827 O GLY A 99 -24.860 24.283 0.730 1.00 34.42 O ATOM 0 H GLY A 99 -22.397 23.624 -0.949 1.00 61.34 H new ATOM 0 HA2 GLY A 99 -23.217 22.406 1.276 1.00 43.22 H new ATOM 0 HA3 GLY A 99 -22.012 23.489 1.945 1.00 43.22 H new ATOM 831 N ARG A 100 -23.247 25.677 1.448 1.00 2.21 N ATOM 832 CA ARG A 100 -24.115 26.848 1.467 1.00 12.12 C ATOM 833 C ARG A 100 -23.691 27.857 0.404 1.00 3.22 C ATOM 834 O ARG A 100 -22.977 28.817 0.696 1.00 50.32 O ATOM 835 CB ARG A 100 -24.090 27.505 2.848 1.00 13.44 C ATOM 836 CG ARG A 100 -24.712 26.651 3.941 1.00 71.22 C ATOM 837 CD ARG A 100 -26.228 26.616 3.826 1.00 70.35 C ATOM 838 NE ARG A 100 -26.791 25.389 4.383 1.00 70.21 N ATOM 839 CZ ARG A 100 -28.093 25.128 4.420 1.00 51.23 C ATOM 840 NH1 ARG A 100 -28.962 26.004 3.934 1.00 42.02 N ATOM 841 NH2 ARG A 100 -28.528 23.989 4.943 1.00 14.31 N ATOM 0 H ARG A 100 -22.286 25.859 1.739 1.00 2.21 H new ATOM 0 HA ARG A 100 -25.131 26.520 1.246 1.00 12.12 H new ATOM 0 HB2 ARG A 100 -23.057 27.728 3.116 1.00 13.44 H new ATOM 0 HB3 ARG A 100 -24.619 28.457 2.798 1.00 13.44 H new ATOM 0 HG2 ARG A 100 -24.318 25.637 3.880 1.00 71.22 H new ATOM 0 HG3 ARG A 100 -24.429 27.045 4.917 1.00 71.22 H new ATOM 0 HD2 ARG A 100 -26.651 27.477 4.344 1.00 70.35 H new ATOM 0 HD3 ARG A 100 -26.514 26.703 2.778 1.00 70.35 H new ATOM 0 HE ARG A 100 -26.149 24.694 4.765 1.00 70.21 H new ATOM 0 HH11 ARG A 100 -28.631 26.880 3.531 1.00 42.02 H new ATOM 0 HH12 ARG A 100 -29.961 25.801 3.964 1.00 42.02 H new ATOM 0 HH21 ARG A 100 -27.862 23.313 5.317 1.00 14.31 H new ATOM 0 HH22 ARG A 100 -29.528 23.790 4.971 1.00 14.31 H new ATOM 855 N ILE A 101 -24.134 27.632 -0.828 1.00 40.30 N ATOM 856 CA ILE A 101 -23.800 28.522 -1.933 1.00 75.15 C ATOM 857 C ILE A 101 -25.029 29.288 -2.413 1.00 20.33 C ATOM 858 O ILE A 101 -25.114 29.683 -3.576 1.00 22.33 O ATOM 859 CB ILE A 101 -23.199 27.745 -3.119 1.00 41.04 C ATOM 860 CG1 ILE A 101 -24.119 26.589 -3.520 1.00 5.55 C ATOM 861 CG2 ILE A 101 -21.813 27.228 -2.765 1.00 63.32 C ATOM 862 CD1 ILE A 101 -23.926 26.131 -4.948 1.00 72.01 C ATOM 0 H ILE A 101 -24.725 26.842 -1.086 1.00 40.30 H new ATOM 0 HA ILE A 101 -23.059 29.227 -1.557 1.00 75.15 H new ATOM 0 HB ILE A 101 -23.107 28.422 -3.968 1.00 41.04 H new ATOM 0 HG12 ILE A 101 -23.944 25.747 -2.850 1.00 5.55 H new ATOM 0 HG13 ILE A 101 -25.156 26.896 -3.382 1.00 5.55 H new ATOM 0 HG21 ILE A 101 -21.401 26.681 -3.613 1.00 63.32 H new ATOM 0 HG22 ILE A 101 -21.162 28.068 -2.524 1.00 63.32 H new ATOM 0 HG23 ILE A 101 -21.882 26.564 -1.903 1.00 63.32 H new ATOM 0 HD11 ILE A 101 -24.610 25.310 -5.162 1.00 72.01 H new ATOM 0 HD12 ILE A 101 -24.129 26.960 -5.626 1.00 72.01 H new ATOM 0 HD13 ILE A 101 -22.899 25.793 -5.086 1.00 72.01 H new ATOM 874 N LYS A 102 -25.979 29.496 -1.508 1.00 15.21 N ATOM 875 CA LYS A 102 -27.203 30.218 -1.836 1.00 33.24 C ATOM 876 C LYS A 102 -27.719 30.992 -0.627 1.00 22.04 C ATOM 877 O LYS A 102 -27.676 30.500 0.502 1.00 54.55 O ATOM 878 CB LYS A 102 -28.277 29.245 -2.327 1.00 74.23 C ATOM 879 CG LYS A 102 -28.077 28.793 -3.763 1.00 61.53 C ATOM 880 CD LYS A 102 -29.230 27.926 -4.241 1.00 61.21 C ATOM 881 CE LYS A 102 -30.353 28.767 -4.830 1.00 24.44 C ATOM 882 NZ LYS A 102 -31.158 28.001 -5.820 1.00 74.52 N ATOM 0 H LYS A 102 -25.925 29.175 -0.541 1.00 15.21 H new ATOM 0 HA LYS A 102 -26.974 30.929 -2.630 1.00 33.24 H new ATOM 0 HB2 LYS A 102 -28.287 28.370 -1.677 1.00 74.23 H new ATOM 0 HB3 LYS A 102 -29.254 29.720 -2.237 1.00 74.23 H new ATOM 0 HG2 LYS A 102 -27.984 29.665 -4.410 1.00 61.53 H new ATOM 0 HG3 LYS A 102 -27.144 28.235 -3.843 1.00 61.53 H new ATOM 0 HD2 LYS A 102 -28.870 27.221 -4.991 1.00 61.21 H new ATOM 0 HD3 LYS A 102 -29.614 27.337 -3.408 1.00 61.21 H new ATOM 0 HE2 LYS A 102 -31.002 29.119 -4.028 1.00 24.44 H new ATOM 0 HE3 LYS A 102 -29.932 29.650 -5.310 1.00 24.44 H new ATOM 0 HZ1 LYS A 102 -31.913 28.608 -6.198 1.00 74.52 H new ATOM 0 HZ2 LYS A 102 -30.544 27.687 -6.598 1.00 74.52 H new ATOM 0 HZ3 LYS A 102 -31.581 27.172 -5.356 1.00 74.52 H new TER 896 LYS A 102