USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 114:sc= 0.0859 USER MOD Set 1.2: A 72 TYR OH : rot 110:sc= -1.05 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot -54:sc= 0.585! USER MOD Set 2.3: A 55 ASN :FLIP amide:sc= -0.0948 F(o=-5.2!,f=0.49) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.988 USER MOD Set 3.2: A 62 THR OG1 : rot -75:sc= 1.15 USER MOD Single : A 0 SER N :NH3+ -155:sc= 0.0194 (180deg=-0.124) USER MOD Single : A 0 SER OG : rot 47:sc= 0.57 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.03) USER MOD Single : A 14 THR OG1 : rot 105:sc= 1.06 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.19 F(o=-1,f=-0.19) USER MOD Single : A 17 THR OG1 : rot -84:sc= -0.358! USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= 0.956 (180deg=0.531) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 165:sc= -1.4 USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= 0.43 (180deg=-0.735!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.211 K(o=-0.21,f=-8.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0679 USER MOD Single : A 59 ASN : amide:sc= -6.99! C(o=-7!,f=-13!) USER MOD Single : A 64 SER OG : rot -126:sc= 0.118! USER MOD Single : A 79 LYS NZ :NH3+ -160:sc=-0.00301 (180deg=-0.187) USER MOD Single : A 80 ASN : amide:sc= -12.9! C(o=-13!,f=-16!) USER MOD Single : A 86 SER OG : rot -46:sc= 0.497 USER MOD Single : A 89 SER OG : rot -109:sc= 0.927 USER MOD Single : A 92 SER OG : rot -38:sc= -1.21 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 68:sc= -0.189 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.510 -3.948 -5.158 1.00 2.05 N ATOM 2 CA SER A 0 -24.501 -3.121 -4.446 1.00 1.55 C ATOM 3 C SER A 0 -23.107 -3.731 -4.555 1.00 1.39 C ATOM 4 O SER A 0 -22.662 -4.449 -3.659 1.00 1.50 O ATOM 5 CB SER A 0 -24.915 -3.007 -2.977 1.00 2.08 C ATOM 6 OG SER A 0 -25.068 -4.286 -2.388 1.00 2.74 O ATOM 0 H1 SER A 0 -26.314 -3.351 -5.437 1.00 2.05 H new ATOM 0 H2 SER A 0 -25.079 -4.367 -6.007 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.844 -4.706 -4.529 1.00 2.05 H new ATOM 0 HA SER A 0 -24.461 -2.133 -4.905 1.00 1.55 H new ATOM 0 HB2 SER A 0 -24.165 -2.438 -2.428 1.00 2.08 H new ATOM 0 HB3 SER A 0 -25.852 -2.455 -2.902 1.00 2.08 H new ATOM 0 HG SER A 0 -24.297 -4.846 -2.617 1.00 2.74 H new ATOM 12 N PRO A 1 -22.394 -3.448 -5.659 1.00 1.23 N ATOM 13 CA PRO A 1 -21.043 -3.967 -5.883 1.00 1.19 C ATOM 14 C PRO A 1 -20.031 -3.317 -4.946 1.00 1.24 C ATOM 15 O PRO A 1 -20.376 -2.905 -3.838 1.00 2.06 O ATOM 16 CB PRO A 1 -20.742 -3.594 -7.346 1.00 1.18 C ATOM 17 CG PRO A 1 -22.045 -3.146 -7.922 1.00 1.26 C ATOM 18 CD PRO A 1 -22.837 -2.604 -6.772 1.00 1.24 C ATOM 0 HA PRO A 1 -20.977 -5.038 -5.692 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.995 -2.802 -7.403 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.344 -4.448 -7.894 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.893 -2.383 -8.686 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.567 -3.975 -8.399 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.624 -1.550 -6.593 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.910 -2.687 -6.943 1.00 1.24 H new ATOM 26 N ILE A 2 -18.783 -3.222 -5.392 1.00 0.68 N ATOM 27 CA ILE A 2 -17.735 -2.617 -4.582 1.00 0.61 C ATOM 28 C ILE A 2 -16.491 -2.327 -5.409 1.00 0.57 C ATOM 29 O ILE A 2 -15.998 -3.192 -6.134 1.00 0.63 O ATOM 30 CB ILE A 2 -17.338 -3.519 -3.399 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.345 -2.785 -2.490 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.746 -4.825 -3.912 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.638 -3.682 -1.493 1.00 0.56 C ATOM 0 H ILE A 2 -18.475 -3.555 -6.306 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.145 -1.682 -4.200 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.227 -3.755 -2.814 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.598 -2.290 -3.111 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.876 -2.003 -1.946 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.469 -5.455 -3.067 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.484 -5.343 -4.525 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.861 -4.613 -4.512 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.954 -3.086 -0.889 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.374 -4.157 -0.845 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.077 -4.448 -2.027 1.00 0.56 H new ATOM 45 N ASP A 3 -15.983 -1.108 -5.286 1.00 0.55 N ATOM 46 CA ASP A 3 -14.788 -0.701 -6.013 1.00 0.54 C ATOM 47 C ASP A 3 -13.626 -0.493 -5.043 1.00 0.47 C ATOM 48 O ASP A 3 -13.772 0.193 -4.032 1.00 0.49 O ATOM 49 CB ASP A 3 -15.053 0.583 -6.799 1.00 0.61 C ATOM 50 CG ASP A 3 -15.888 0.338 -8.039 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.520 -0.736 -8.127 1.00 1.64 O ATOM 52 OD2 ASP A 3 -15.912 1.221 -8.923 1.00 2.00 O ATOM 0 H ASP A 3 -16.380 -0.383 -4.689 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.524 -1.491 -6.716 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.563 1.301 -6.156 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.103 1.032 -7.087 1.00 0.61 H new ATOM 57 N PRO A 4 -12.455 -1.084 -5.332 1.00 0.44 N ATOM 58 CA PRO A 4 -11.279 -0.956 -4.472 1.00 0.41 C ATOM 59 C PRO A 4 -10.547 0.371 -4.680 1.00 0.38 C ATOM 60 O PRO A 4 -10.749 1.051 -5.685 1.00 0.43 O ATOM 61 CB PRO A 4 -10.417 -2.136 -4.907 1.00 0.45 C ATOM 62 CG PRO A 4 -10.734 -2.309 -6.352 1.00 0.50 C ATOM 63 CD PRO A 4 -12.183 -1.925 -6.513 1.00 0.50 C ATOM 0 HA PRO A 4 -11.531 -0.962 -3.412 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.357 -1.933 -4.754 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.655 -3.034 -4.337 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.093 -1.679 -6.969 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.567 -3.339 -6.667 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.352 -1.379 -7.441 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.829 -2.802 -6.537 1.00 0.50 H new ATOM 71 N PRO A 5 -9.689 0.759 -3.719 1.00 0.37 N ATOM 72 CA PRO A 5 -8.930 2.018 -3.785 1.00 0.39 C ATOM 73 C PRO A 5 -8.118 2.169 -5.069 1.00 0.38 C ATOM 74 O PRO A 5 -8.110 1.284 -5.924 1.00 0.47 O ATOM 75 CB PRO A 5 -8.001 1.933 -2.571 1.00 0.46 C ATOM 76 CG PRO A 5 -8.707 1.026 -1.624 1.00 0.71 C ATOM 77 CD PRO A 5 -9.401 0.009 -2.482 1.00 0.43 C ATOM 0 HA PRO A 5 -9.593 2.883 -3.782 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.024 1.537 -2.846 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.834 2.915 -2.130 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.005 0.549 -0.941 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.422 1.577 -1.013 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.768 -0.857 -2.673 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.313 -0.360 -2.013 1.00 0.43 H new ATOM 85 N GLY A 6 -7.437 3.306 -5.191 1.00 0.37 N ATOM 86 CA GLY A 6 -6.625 3.577 -6.366 1.00 0.39 C ATOM 87 C GLY A 6 -5.205 3.063 -6.222 1.00 0.42 C ATOM 88 O GLY A 6 -4.738 2.817 -5.110 1.00 0.66 O ATOM 0 H GLY A 6 -7.433 4.049 -4.492 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.088 3.116 -7.238 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.602 4.651 -6.548 1.00 0.39 H new ATOM 92 N LYS A 7 -4.513 2.908 -7.348 1.00 0.41 N ATOM 93 CA LYS A 7 -3.134 2.427 -7.337 1.00 0.44 C ATOM 94 C LYS A 7 -2.285 3.278 -6.395 1.00 0.37 C ATOM 95 O LYS A 7 -2.351 4.506 -6.446 1.00 0.42 O ATOM 96 CB LYS A 7 -2.548 2.475 -8.748 1.00 0.54 C ATOM 97 CG LYS A 7 -1.072 2.117 -8.805 1.00 0.64 C ATOM 98 CD LYS A 7 -0.253 3.231 -9.436 1.00 1.01 C ATOM 99 CE LYS A 7 0.786 2.681 -10.399 1.00 0.95 C ATOM 100 NZ LYS A 7 1.614 3.763 -11.000 1.00 1.52 N ATOM 0 H LYS A 7 -4.883 3.108 -8.277 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.128 1.396 -6.984 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.105 1.790 -9.387 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.687 3.476 -9.156 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.705 1.920 -7.798 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.941 1.199 -9.377 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.915 3.916 -9.966 1.00 1.01 H new ATOM 0 HD3 LYS A 7 0.242 3.807 -8.655 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.433 1.979 -9.873 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.287 2.123 -11.191 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.310 3.347 -11.651 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.000 4.420 -11.523 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 2.110 4.280 -10.246 1.00 1.52 H new ATOM 114 N PRO A 8 -1.476 2.659 -5.511 1.00 0.34 N ATOM 115 CA PRO A 8 -0.639 3.395 -4.565 1.00 0.32 C ATOM 116 C PRO A 8 0.665 3.879 -5.196 1.00 0.33 C ATOM 117 O PRO A 8 1.319 3.144 -5.935 1.00 0.44 O ATOM 118 CB PRO A 8 -0.361 2.361 -3.456 1.00 0.39 C ATOM 119 CG PRO A 8 -1.162 1.153 -3.831 1.00 0.44 C ATOM 120 CD PRO A 8 -1.296 1.215 -5.320 1.00 0.41 C ATOM 0 HA PRO A 8 -1.127 4.301 -4.205 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.701 2.125 -3.396 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.659 2.742 -2.479 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.661 0.237 -3.519 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.139 1.163 -3.347 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.412 0.836 -5.832 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.147 0.639 -5.684 1.00 0.41 H new ATOM 128 N VAL A 9 1.035 5.121 -4.900 1.00 0.34 N ATOM 129 CA VAL A 9 2.258 5.706 -5.436 1.00 0.38 C ATOM 130 C VAL A 9 3.085 6.352 -4.324 1.00 0.34 C ATOM 131 O VAL A 9 2.604 7.249 -3.629 1.00 0.35 O ATOM 132 CB VAL A 9 1.951 6.764 -6.510 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.128 7.900 -5.923 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.240 7.289 -7.125 1.00 0.53 C ATOM 0 H VAL A 9 0.504 5.743 -4.290 1.00 0.34 H new ATOM 0 HA VAL A 9 2.827 4.895 -5.890 1.00 0.38 H new ATOM 0 HB VAL A 9 1.364 6.294 -7.299 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.921 8.638 -6.698 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.188 7.506 -5.537 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.684 8.371 -5.113 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.004 8.036 -7.883 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.856 7.742 -6.348 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.785 6.465 -7.586 1.00 0.53 H new ATOM 144 N PRO A 10 4.339 5.904 -4.129 1.00 0.34 N ATOM 145 CA PRO A 10 5.212 6.445 -3.089 1.00 0.32 C ATOM 146 C PRO A 10 5.596 7.903 -3.318 1.00 0.37 C ATOM 147 O PRO A 10 6.496 8.197 -4.106 1.00 0.64 O ATOM 148 CB PRO A 10 6.468 5.579 -3.155 1.00 0.38 C ATOM 149 CG PRO A 10 6.103 4.396 -3.984 1.00 0.39 C ATOM 150 CD PRO A 10 4.996 4.837 -4.894 1.00 0.42 C ATOM 0 HA PRO A 10 4.704 6.425 -2.125 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.298 6.127 -3.600 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.786 5.275 -2.158 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.961 4.046 -4.558 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.780 3.566 -3.355 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.379 5.202 -5.847 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.309 4.021 -5.118 1.00 0.42 H new ATOM 158 N LEU A 11 4.933 8.816 -2.617 1.00 0.34 N ATOM 159 CA LEU A 11 5.247 10.233 -2.749 1.00 0.43 C ATOM 160 C LEU A 11 6.708 10.450 -2.380 1.00 0.43 C ATOM 161 O LEU A 11 7.403 11.281 -2.965 1.00 0.57 O ATOM 162 CB LEU A 11 4.341 11.079 -1.843 1.00 0.56 C ATOM 163 CG LEU A 11 2.829 10.862 -2.013 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.473 10.555 -3.462 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.342 9.749 -1.097 1.00 1.12 C ATOM 0 H LEU A 11 4.183 8.604 -1.959 1.00 0.34 H new ATOM 0 HA LEU A 11 5.075 10.544 -3.779 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.603 10.873 -0.805 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.560 12.131 -2.024 1.00 0.56 H new ATOM 0 HG LEU A 11 2.326 11.788 -1.734 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.397 10.407 -3.549 1.00 1.64 H new ATOM 0 HD12 LEU A 11 2.777 11.388 -4.096 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.991 9.650 -3.780 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.269 9.610 -1.232 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.861 8.823 -1.342 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.546 10.016 -0.060 1.00 1.12 H new ATOM 177 N ASN A 12 7.156 9.665 -1.411 1.00 0.34 N ATOM 178 CA ASN A 12 8.528 9.704 -0.932 1.00 0.36 C ATOM 179 C ASN A 12 8.969 8.280 -0.626 1.00 0.37 C ATOM 180 O ASN A 12 8.138 7.437 -0.301 1.00 0.58 O ATOM 181 CB ASN A 12 8.643 10.576 0.321 1.00 0.42 C ATOM 182 CG ASN A 12 10.083 10.913 0.660 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.568 11.998 0.340 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.773 9.983 1.311 1.00 0.71 N ATOM 0 H ASN A 12 6.573 8.979 -0.932 1.00 0.34 H new ATOM 0 HA ASN A 12 9.170 10.140 -1.697 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.082 11.499 0.171 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.186 10.058 1.164 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.746 10.154 1.566 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.330 9.097 1.556 1.00 0.71 H new ATOM 191 N ILE A 13 10.257 7.996 -0.739 1.00 0.38 N ATOM 192 CA ILE A 13 10.733 6.649 -0.473 1.00 0.43 C ATOM 193 C ILE A 13 12.052 6.642 0.285 1.00 0.53 C ATOM 194 O ILE A 13 13.088 7.059 -0.235 1.00 0.75 O ATOM 195 CB ILE A 13 10.892 5.848 -1.778 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.669 6.667 -2.822 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.523 5.427 -2.304 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.818 7.629 -3.633 1.00 0.96 C ATOM 0 H ILE A 13 10.978 8.665 -1.008 1.00 0.38 H new ATOM 0 HA ILE A 13 9.977 6.176 0.154 1.00 0.43 H new ATOM 0 HB ILE A 13 11.467 4.945 -1.574 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.449 7.233 -2.313 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.168 5.980 -3.505 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.646 4.861 -3.227 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.023 4.805 -1.561 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.920 6.314 -2.500 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.449 8.163 -4.343 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.054 7.071 -4.175 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.339 8.344 -2.964 1.00 0.96 H new ATOM 210 N THR A 14 12.003 6.154 1.521 1.00 0.59 N ATOM 211 CA THR A 14 13.186 6.071 2.362 1.00 0.71 C ATOM 212 C THR A 14 13.669 4.626 2.436 1.00 0.79 C ATOM 213 O THR A 14 12.877 3.692 2.303 1.00 1.46 O ATOM 214 CB THR A 14 12.894 6.608 3.764 1.00 0.75 C ATOM 215 OG1 THR A 14 11.817 7.526 3.735 1.00 0.69 O ATOM 216 CG2 THR A 14 14.075 7.311 4.395 1.00 0.94 C ATOM 0 H THR A 14 11.150 5.809 1.962 1.00 0.59 H new ATOM 0 HA THR A 14 13.971 6.686 1.921 1.00 0.71 H new ATOM 0 HB THR A 14 12.651 5.730 4.363 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.014 7.100 4.100 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.799 7.667 5.388 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.910 6.616 4.478 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.368 8.158 3.775 1.00 0.94 H new ATOM 224 N ARG A 15 14.968 4.448 2.630 1.00 0.66 N ATOM 225 CA ARG A 15 15.552 3.107 2.701 1.00 0.67 C ATOM 226 C ARG A 15 15.042 2.306 3.901 1.00 0.71 C ATOM 227 O ARG A 15 15.280 1.102 3.991 1.00 1.19 O ATOM 228 CB ARG A 15 17.087 3.157 2.706 1.00 0.80 C ATOM 229 CG ARG A 15 17.689 4.415 3.310 1.00 0.96 C ATOM 230 CD ARG A 15 17.146 4.695 4.700 1.00 1.13 C ATOM 231 NE ARG A 15 17.752 5.884 5.296 1.00 1.43 N ATOM 232 CZ ARG A 15 19.017 5.944 5.702 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.807 4.886 5.575 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.494 7.061 6.234 1.00 1.90 N ATOM 0 H ARG A 15 15.639 5.208 2.741 1.00 0.66 H new ATOM 0 HA ARG A 15 15.226 2.589 1.799 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.461 2.294 3.256 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.442 3.060 1.680 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.773 4.311 3.358 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.479 5.265 2.661 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.065 4.827 4.647 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.331 3.834 5.342 1.00 1.13 H new ATOM 0 HE ARG A 15 17.171 6.715 5.407 1.00 1.43 H new ATOM 0 HH11 ARG A 15 19.444 4.025 5.166 1.00 2.42 H new ATOM 0 HH12 ARG A 15 20.777 4.933 5.887 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.890 7.877 6.333 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.465 7.104 6.545 1.00 1.90 H new ATOM 248 N HIS A 16 14.337 2.962 4.819 1.00 0.50 N ATOM 249 CA HIS A 16 13.801 2.275 5.992 1.00 0.54 C ATOM 250 C HIS A 16 12.353 2.677 6.257 1.00 0.57 C ATOM 251 O HIS A 16 11.849 2.512 7.367 1.00 0.97 O ATOM 252 CB HIS A 16 14.649 2.573 7.227 1.00 0.67 C ATOM 253 CG HIS A 16 15.838 1.675 7.362 1.00 0.68 C ATOM 254 ND1 HIS A 16 16.879 1.467 6.515 1.00 0.97 N flip ATOM 255 CD2 HIS A 16 16.066 0.862 8.449 1.00 0.78 C flip ATOM 256 CE1 HIS A 16 17.745 0.533 7.075 1.00 1.02 C flip ATOM 257 NE2 HIS A 16 17.213 0.201 8.235 1.00 0.86 N flip ATOM 0 H HIS A 16 14.125 3.959 4.775 1.00 0.50 H new ATOM 0 HA HIS A 16 13.832 1.205 5.785 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.988 3.608 7.185 1.00 0.67 H new ATOM 0 HB3 HIS A 16 14.027 2.477 8.117 1.00 0.67 H new ATOM 0 HD2 HIS A 16 15.433 0.772 9.320 1.00 0.78 H new ATOM 0 HE1 HIS A 16 18.663 0.158 6.648 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.621 -0.471 8.885 1.00 0.86 H new ATOM 265 N THR A 17 11.693 3.205 5.232 1.00 0.43 N ATOM 266 CA THR A 17 10.303 3.638 5.343 1.00 0.42 C ATOM 267 C THR A 17 9.915 4.456 4.121 1.00 0.38 C ATOM 268 O THR A 17 10.450 5.541 3.901 1.00 0.56 O ATOM 269 CB THR A 17 10.083 4.481 6.607 1.00 0.56 C ATOM 270 OG1 THR A 17 11.314 4.957 7.128 1.00 0.65 O ATOM 271 CG2 THR A 17 9.374 3.732 7.713 1.00 0.68 C ATOM 0 H THR A 17 12.101 3.345 4.308 1.00 0.43 H new ATOM 0 HA THR A 17 9.679 2.747 5.406 1.00 0.42 H new ATOM 0 HB THR A 17 9.450 5.308 6.286 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.717 4.268 7.696 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.252 4.387 8.576 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.394 3.407 7.362 1.00 0.68 H new ATOM 0 HG23 THR A 17 9.964 2.862 7.999 1.00 0.68 H new ATOM 279 N VAL A 18 8.985 3.944 3.328 1.00 0.27 N ATOM 280 CA VAL A 18 8.551 4.659 2.139 1.00 0.33 C ATOM 281 C VAL A 18 7.140 5.213 2.329 1.00 0.32 C ATOM 282 O VAL A 18 6.320 4.616 3.018 1.00 0.51 O ATOM 283 CB VAL A 18 8.616 3.777 0.874 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.999 3.161 0.689 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.537 2.725 0.873 1.00 0.80 C ATOM 0 H VAL A 18 8.522 3.048 3.484 1.00 0.27 H new ATOM 0 HA VAL A 18 9.242 5.489 1.994 1.00 0.33 H new ATOM 0 HB VAL A 18 8.434 4.428 0.019 1.00 0.44 H new ATOM 0 HG11 VAL A 18 10.006 2.547 -0.212 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.741 3.954 0.593 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.240 2.541 1.553 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.615 2.124 -0.033 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.654 2.082 1.746 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.560 3.206 0.906 1.00 0.80 H new ATOM 295 N THR A 19 6.874 6.368 1.728 1.00 0.27 N ATOM 296 CA THR A 19 5.571 7.021 1.848 1.00 0.24 C ATOM 297 C THR A 19 4.793 6.992 0.532 1.00 0.22 C ATOM 298 O THR A 19 5.250 7.540 -0.465 1.00 0.34 O ATOM 299 CB THR A 19 5.782 8.474 2.302 1.00 0.28 C ATOM 300 OG1 THR A 19 6.095 8.530 3.682 1.00 0.35 O ATOM 301 CG2 THR A 19 4.587 9.375 2.065 1.00 0.32 C ATOM 0 H THR A 19 7.545 6.874 1.150 1.00 0.27 H new ATOM 0 HA THR A 19 4.980 6.475 2.584 1.00 0.24 H new ATOM 0 HB THR A 19 6.607 8.838 1.690 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.227 9.463 3.950 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.816 10.382 2.412 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.357 9.402 1.000 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.727 8.990 2.612 1.00 0.32 H new ATOM 309 N LEU A 20 3.605 6.373 0.550 1.00 0.28 N ATOM 310 CA LEU A 20 2.762 6.302 -0.643 1.00 0.26 C ATOM 311 C LEU A 20 1.317 6.683 -0.339 1.00 0.28 C ATOM 312 O LEU A 20 0.918 6.837 0.817 1.00 0.40 O ATOM 313 CB LEU A 20 2.786 4.901 -1.266 1.00 0.33 C ATOM 314 CG LEU A 20 3.113 3.752 -0.313 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.566 3.817 0.108 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.198 3.770 0.901 1.00 0.52 C ATOM 0 H LEU A 20 3.211 5.918 1.374 1.00 0.28 H new ATOM 0 HA LEU A 20 3.176 7.019 -1.352 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.812 4.708 -1.716 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.517 4.896 -2.074 1.00 0.33 H new ATOM 0 HG LEU A 20 2.946 2.813 -0.840 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.785 2.993 0.787 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.204 3.741 -0.773 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.756 4.764 0.614 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.454 2.941 1.562 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.321 4.712 1.436 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.162 3.670 0.577 1.00 0.52 H new ATOM 328 N LYS A 21 0.538 6.820 -1.402 1.00 0.25 N ATOM 329 CA LYS A 21 -0.873 7.167 -1.300 1.00 0.31 C ATOM 330 C LYS A 21 -1.588 6.737 -2.580 1.00 0.31 C ATOM 331 O LYS A 21 -0.941 6.306 -3.533 1.00 0.51 O ATOM 332 CB LYS A 21 -1.042 8.675 -1.042 1.00 0.40 C ATOM 333 CG LYS A 21 -1.006 9.535 -2.297 1.00 0.81 C ATOM 334 CD LYS A 21 -2.335 9.498 -3.028 1.00 0.95 C ATOM 335 CE LYS A 21 -2.643 10.823 -3.709 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.508 10.642 -4.908 1.00 1.84 N ATOM 0 H LYS A 21 0.866 6.694 -2.360 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.319 6.642 -0.455 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.990 8.840 -0.530 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.253 9.006 -0.366 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.764 10.564 -2.029 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -0.214 9.184 -2.959 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.318 8.702 -3.773 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.131 9.258 -2.323 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.137 11.489 -3.002 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -1.711 11.306 -4.003 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.034 11.520 -5.092 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.916 10.413 -5.732 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.179 9.866 -4.738 1.00 1.84 H new ATOM 350 N TRP A 22 -2.912 6.848 -2.614 1.00 0.25 N ATOM 351 CA TRP A 22 -3.655 6.450 -3.809 1.00 0.24 C ATOM 352 C TRP A 22 -4.775 7.429 -4.157 1.00 0.24 C ATOM 353 O TRP A 22 -4.834 8.533 -3.620 1.00 0.40 O ATOM 354 CB TRP A 22 -4.206 5.041 -3.630 1.00 0.27 C ATOM 355 CG TRP A 22 -4.705 4.763 -2.256 1.00 0.26 C ATOM 356 CD1 TRP A 22 -6.004 4.726 -1.858 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.917 4.475 -1.103 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.076 4.423 -0.521 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.806 4.266 -0.033 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.545 4.371 -0.872 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.366 3.957 1.249 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.106 4.066 0.404 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.016 3.861 1.451 1.00 0.32 C ATOM 0 H TRP A 22 -3.484 7.202 -1.847 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.959 6.464 -4.648 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -5.018 4.885 -4.340 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.425 4.321 -3.876 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.854 4.908 -2.499 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.935 4.330 0.021 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.839 4.526 -1.674 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.065 3.798 2.057 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.046 3.985 0.597 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.644 3.623 2.436 1.00 0.32 H new ATOM 374 N ALA A 23 -5.650 7.024 -5.081 1.00 0.31 N ATOM 375 CA ALA A 23 -6.743 7.875 -5.520 1.00 0.33 C ATOM 376 C ALA A 23 -8.060 7.587 -4.806 1.00 0.36 C ATOM 377 O ALA A 23 -8.997 8.380 -4.893 1.00 0.83 O ATOM 378 CB ALA A 23 -6.921 7.744 -7.025 1.00 0.36 C ATOM 0 H ALA A 23 -5.617 6.111 -5.535 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.472 8.898 -5.259 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -7.741 8.383 -7.351 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.003 8.047 -7.528 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.147 6.708 -7.276 1.00 0.36 H new ATOM 384 N LYS A 24 -8.141 6.465 -4.104 1.00 0.59 N ATOM 385 CA LYS A 24 -9.370 6.105 -3.385 1.00 0.61 C ATOM 386 C LYS A 24 -10.439 5.634 -4.373 1.00 0.59 C ATOM 387 O LYS A 24 -10.461 6.075 -5.523 1.00 0.69 O ATOM 388 CB LYS A 24 -9.877 7.314 -2.581 1.00 0.74 C ATOM 389 CG LYS A 24 -10.848 6.965 -1.468 1.00 1.21 C ATOM 390 CD LYS A 24 -12.289 7.140 -1.922 1.00 1.22 C ATOM 391 CE LYS A 24 -12.663 8.611 -2.028 1.00 1.55 C ATOM 392 NZ LYS A 24 -13.823 8.956 -1.161 1.00 2.11 N ATOM 0 H LYS A 24 -7.382 5.790 -4.013 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.154 5.290 -2.695 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -9.021 7.833 -2.150 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.362 8.011 -3.264 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -10.686 5.935 -1.150 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -10.657 7.599 -0.602 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.429 6.657 -2.889 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -12.957 6.643 -1.218 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -11.806 9.224 -1.748 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -12.901 8.851 -3.064 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -14.044 9.967 -1.263 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.648 8.390 -1.444 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -13.588 8.752 -0.169 1.00 2.11 H new ATOM 406 N PRO A 25 -11.342 4.724 -3.953 1.00 0.56 N ATOM 407 CA PRO A 25 -12.399 4.205 -4.829 1.00 0.63 C ATOM 408 C PRO A 25 -13.414 5.268 -5.234 1.00 0.75 C ATOM 409 O PRO A 25 -13.194 6.465 -5.039 1.00 0.89 O ATOM 410 CB PRO A 25 -13.082 3.120 -3.985 1.00 0.63 C ATOM 411 CG PRO A 25 -12.146 2.842 -2.860 1.00 0.71 C ATOM 412 CD PRO A 25 -11.408 4.122 -2.611 1.00 0.58 C ATOM 0 HA PRO A 25 -11.983 3.839 -5.767 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.049 3.461 -3.616 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.265 2.222 -4.574 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.689 2.525 -1.970 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.457 2.037 -3.116 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.936 4.763 -1.905 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.415 3.943 -2.198 1.00 0.58 H new ATOM 420 N GLU A 26 -14.527 4.815 -5.803 1.00 0.85 N ATOM 421 CA GLU A 26 -15.588 5.709 -6.244 1.00 1.05 C ATOM 422 C GLU A 26 -16.948 5.033 -6.127 1.00 0.95 C ATOM 423 O GLU A 26 -17.910 5.632 -5.646 1.00 1.12 O ATOM 424 CB GLU A 26 -15.349 6.146 -7.691 1.00 1.29 C ATOM 425 CG GLU A 26 -14.639 7.484 -7.812 1.00 1.83 C ATOM 426 CD GLU A 26 -14.193 7.783 -9.230 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.414 6.984 -9.788 1.00 2.53 O ATOM 428 OE2 GLU A 26 -14.625 8.818 -9.781 1.00 2.77 O ATOM 0 H GLU A 26 -14.716 3.827 -5.970 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.579 6.588 -5.600 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -14.759 5.384 -8.199 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.307 6.204 -8.207 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -15.305 8.276 -7.470 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.771 7.491 -7.153 1.00 1.83 H new ATOM 435 N TYR A 27 -17.023 3.783 -6.570 1.00 0.85 N ATOM 436 CA TYR A 27 -18.270 3.035 -6.513 1.00 0.84 C ATOM 437 C TYR A 27 -18.189 1.902 -5.499 1.00 0.86 C ATOM 438 O TYR A 27 -18.038 0.737 -5.867 1.00 1.37 O ATOM 439 CB TYR A 27 -18.621 2.468 -7.889 1.00 0.86 C ATOM 440 CG TYR A 27 -20.106 2.266 -8.099 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.797 1.268 -7.419 1.00 0.93 C ATOM 442 CD2 TYR A 27 -20.819 3.073 -8.979 1.00 1.15 C ATOM 443 CE1 TYR A 27 -22.154 1.084 -7.610 1.00 1.04 C ATOM 444 CE2 TYR A 27 -22.175 2.894 -9.174 1.00 1.28 C ATOM 445 CZ TYR A 27 -22.838 1.898 -8.488 1.00 1.19 C ATOM 446 OH TYR A 27 -24.188 1.715 -8.679 1.00 1.35 O ATOM 0 H TYR A 27 -16.238 3.270 -6.971 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.052 3.726 -6.199 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.242 3.141 -8.658 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.111 1.514 -8.021 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.265 0.627 -6.731 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -20.304 3.853 -9.519 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -22.676 0.306 -7.074 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -22.713 3.531 -9.860 1.00 1.28 H new ATOM 0 HH TYR A 27 -24.518 2.371 -9.328 1.00 1.35 H new ATOM 456 N THR A 28 -18.299 2.247 -4.221 1.00 0.65 N ATOM 457 CA THR A 28 -18.250 1.251 -3.161 1.00 0.61 C ATOM 458 C THR A 28 -19.658 0.785 -2.821 1.00 0.66 C ATOM 459 O THR A 28 -20.033 0.714 -1.651 1.00 0.81 O ATOM 460 CB THR A 28 -17.571 1.822 -1.913 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.126 3.079 -1.571 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.078 2.006 -2.073 1.00 0.79 C ATOM 0 H THR A 28 -18.422 3.206 -3.896 1.00 0.65 H new ATOM 0 HA THR A 28 -17.666 0.400 -3.512 1.00 0.61 H new ATOM 0 HB THR A 28 -17.746 1.086 -1.128 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.858 2.950 -0.933 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.661 2.414 -1.152 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.614 1.043 -2.287 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.882 2.694 -2.896 1.00 0.79 H new ATOM 470 N GLY A 29 -20.440 0.480 -3.854 1.00 0.75 N ATOM 471 CA GLY A 29 -21.804 0.035 -3.640 1.00 0.80 C ATOM 472 C GLY A 29 -22.564 0.979 -2.729 1.00 0.85 C ATOM 473 O GLY A 29 -23.050 2.022 -3.165 1.00 1.01 O ATOM 0 H GLY A 29 -20.153 0.533 -4.831 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.318 -0.038 -4.599 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.797 -0.964 -3.205 1.00 0.80 H new ATOM 477 N GLY A 30 -22.646 0.616 -1.458 1.00 0.83 N ATOM 478 CA GLY A 30 -23.326 1.442 -0.482 1.00 0.89 C ATOM 479 C GLY A 30 -22.507 1.552 0.784 1.00 0.85 C ATOM 480 O GLY A 30 -23.044 1.695 1.881 1.00 0.98 O ATOM 0 H GLY A 30 -22.249 -0.245 -1.082 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.501 2.435 -0.896 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.303 1.016 -0.254 1.00 0.89 H new ATOM 484 N PHE A 31 -21.192 1.463 0.614 1.00 0.73 N ATOM 485 CA PHE A 31 -20.256 1.528 1.728 1.00 0.69 C ATOM 486 C PHE A 31 -19.337 2.735 1.601 1.00 0.67 C ATOM 487 O PHE A 31 -19.363 3.450 0.599 1.00 0.74 O ATOM 488 CB PHE A 31 -19.409 0.248 1.782 1.00 0.63 C ATOM 489 CG PHE A 31 -20.040 -0.936 1.094 1.00 0.67 C ATOM 490 CD1 PHE A 31 -21.134 -1.580 1.657 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.533 -1.408 -0.105 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.708 -2.670 1.031 1.00 0.87 C ATOM 493 CE2 PHE A 31 -20.104 -2.499 -0.733 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.217 -3.108 -0.182 1.00 0.83 C ATOM 0 H PHE A 31 -20.748 1.344 -0.296 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.835 1.624 2.647 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.440 0.447 1.324 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.223 -0.008 2.825 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.540 -1.226 2.593 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.682 -0.918 -0.555 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.542 -3.180 1.491 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.682 -2.876 -1.653 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.700 -3.924 -0.699 1.00 0.83 H new ATOM 504 N LYS A 32 -18.523 2.951 2.625 1.00 0.68 N ATOM 505 CA LYS A 32 -17.585 4.066 2.641 1.00 0.72 C ATOM 506 C LYS A 32 -16.174 3.606 3.022 1.00 0.66 C ATOM 507 O LYS A 32 -15.250 4.416 3.079 1.00 0.74 O ATOM 508 CB LYS A 32 -18.063 5.133 3.628 1.00 0.86 C ATOM 509 CG LYS A 32 -17.871 6.562 3.137 1.00 1.38 C ATOM 510 CD LYS A 32 -16.424 7.013 3.258 1.00 1.38 C ATOM 511 CE LYS A 32 -15.884 6.806 4.664 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.792 7.765 4.984 1.00 2.26 N ATOM 0 H LYS A 32 -18.493 2.366 3.460 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.545 4.485 1.636 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -19.120 4.971 3.838 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.528 5.008 4.569 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.188 6.634 2.097 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -18.510 7.232 3.712 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.810 6.459 2.548 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.348 8.067 2.991 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.693 6.923 5.385 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.513 5.786 4.764 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.450 7.592 5.951 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.009 7.636 4.312 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.153 8.738 4.913 1.00 2.26 H new ATOM 526 N ILE A 33 -16.006 2.310 3.287 1.00 0.67 N ATOM 527 CA ILE A 33 -14.704 1.781 3.666 1.00 0.66 C ATOM 528 C ILE A 33 -14.251 2.395 4.982 1.00 0.80 C ATOM 529 O ILE A 33 -14.397 3.598 5.198 1.00 1.71 O ATOM 530 CB ILE A 33 -13.647 2.045 2.580 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.098 1.427 1.254 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.297 1.490 3.015 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.050 1.474 0.166 1.00 0.91 C ATOM 0 H ILE A 33 -16.752 1.615 3.246 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.808 0.702 3.782 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.538 3.120 2.437 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.381 0.389 1.427 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.991 1.948 0.907 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.557 1.683 2.238 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.986 1.974 3.941 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.381 0.415 3.178 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.446 1.017 -0.741 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.783 2.511 -0.037 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.164 0.928 0.490 1.00 0.91 H new ATOM 545 N THR A 34 -13.719 1.564 5.870 1.00 0.72 N ATOM 546 CA THR A 34 -13.272 2.039 7.173 1.00 0.73 C ATOM 547 C THR A 34 -11.747 2.074 7.298 1.00 0.59 C ATOM 548 O THR A 34 -11.219 2.702 8.216 1.00 0.76 O ATOM 549 CB THR A 34 -13.872 1.160 8.272 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.216 -0.093 8.329 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.354 0.897 8.084 1.00 1.15 C ATOM 0 H THR A 34 -13.587 0.565 5.713 1.00 0.72 H new ATOM 0 HA THR A 34 -13.620 3.066 7.283 1.00 0.73 H new ATOM 0 HB THR A 34 -13.732 1.719 9.197 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.614 -0.639 9.039 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.718 0.268 8.896 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.895 1.843 8.088 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.516 0.390 7.133 1.00 1.15 H new ATOM 559 N SER A 35 -11.033 1.406 6.392 1.00 0.49 N ATOM 560 CA SER A 35 -9.571 1.393 6.460 1.00 0.47 C ATOM 561 C SER A 35 -8.936 0.846 5.189 1.00 0.45 C ATOM 562 O SER A 35 -9.568 0.108 4.439 1.00 0.72 O ATOM 563 CB SER A 35 -9.116 0.535 7.638 1.00 0.64 C ATOM 564 OG SER A 35 -9.964 0.704 8.760 1.00 1.58 O ATOM 0 H SER A 35 -11.432 0.877 5.617 1.00 0.49 H new ATOM 0 HA SER A 35 -9.249 2.427 6.584 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.106 -0.514 7.343 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.094 0.800 7.909 1.00 0.64 H new ATOM 0 HG SER A 35 -10.033 1.657 8.977 1.00 1.58 H new ATOM 570 N TYR A 36 -7.664 1.197 4.975 1.00 0.27 N ATOM 571 CA TYR A 36 -6.913 0.726 3.816 1.00 0.28 C ATOM 572 C TYR A 36 -5.730 -0.114 4.269 1.00 0.33 C ATOM 573 O TYR A 36 -4.972 0.282 5.155 1.00 0.68 O ATOM 574 CB TYR A 36 -6.418 1.881 2.948 1.00 0.29 C ATOM 575 CG TYR A 36 -7.530 2.740 2.388 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.638 2.166 1.777 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.470 4.125 2.470 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.655 2.950 1.264 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.483 4.915 1.960 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.573 4.323 1.358 1.00 0.60 C ATOM 581 OH TYR A 36 -10.583 5.106 0.849 1.00 0.76 O ATOM 0 H TYR A 36 -7.134 1.809 5.595 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.589 0.120 3.213 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.749 2.507 3.539 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.831 1.478 2.123 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.706 1.091 1.702 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.618 4.593 2.940 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.510 2.489 0.792 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.421 5.991 2.033 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.499 6.017 1.199 1.00 0.76 H new ATOM 591 N ILE A 37 -5.582 -1.275 3.660 1.00 0.24 N ATOM 592 CA ILE A 37 -4.501 -2.181 3.995 1.00 0.26 C ATOM 593 C ILE A 37 -3.420 -2.160 2.925 1.00 0.33 C ATOM 594 O ILE A 37 -3.713 -2.248 1.736 1.00 0.70 O ATOM 595 CB ILE A 37 -5.013 -3.620 4.151 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.362 -3.637 4.871 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.996 -4.457 4.906 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.896 -5.031 5.119 1.00 1.14 C ATOM 0 H ILE A 37 -6.202 -1.614 2.925 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.082 -1.842 4.942 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.152 -4.049 3.159 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.262 -3.120 5.825 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -7.088 -3.078 4.280 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.369 -5.476 5.011 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.055 -4.470 4.356 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.832 -4.027 5.894 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.855 -4.967 5.633 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.028 -5.545 4.167 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.190 -5.587 5.736 1.00 1.14 H new ATOM 610 N VAL A 38 -2.171 -2.047 3.355 1.00 0.36 N ATOM 611 CA VAL A 38 -1.054 -2.019 2.425 1.00 0.42 C ATOM 612 C VAL A 38 -0.222 -3.289 2.523 1.00 0.35 C ATOM 613 O VAL A 38 0.560 -3.460 3.458 1.00 0.48 O ATOM 614 CB VAL A 38 -0.137 -0.809 2.674 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.794 -0.600 1.491 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.952 0.442 2.948 1.00 0.46 C ATOM 0 H VAL A 38 -1.908 -1.974 4.338 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.486 -1.941 1.427 1.00 0.42 H new ATOM 0 HB VAL A 38 0.468 -1.013 3.557 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.437 0.259 1.681 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.409 -1.489 1.350 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.205 -0.420 0.592 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.281 1.283 3.121 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.589 0.656 2.090 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.573 0.286 3.830 1.00 0.46 H new ATOM 626 N GLU A 39 -0.387 -4.173 1.548 1.00 0.30 N ATOM 627 CA GLU A 39 0.359 -5.419 1.523 1.00 0.33 C ATOM 628 C GLU A 39 1.711 -5.190 0.859 1.00 0.32 C ATOM 629 O GLU A 39 1.791 -4.588 -0.211 1.00 0.43 O ATOM 630 CB GLU A 39 -0.434 -6.494 0.783 1.00 0.42 C ATOM 631 CG GLU A 39 -1.770 -6.814 1.435 1.00 0.51 C ATOM 632 CD GLU A 39 -2.170 -8.266 1.264 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.065 -8.780 0.131 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.589 -8.889 2.262 1.00 1.67 O ATOM 0 H GLU A 39 -1.030 -4.049 0.766 1.00 0.30 H new ATOM 0 HA GLU A 39 0.523 -5.763 2.544 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.607 -6.166 -0.242 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.163 -7.404 0.730 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.717 -6.579 2.498 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.542 -6.175 1.005 1.00 0.51 H new ATOM 641 N LYS A 40 2.772 -5.657 1.503 1.00 0.28 N ATOM 642 CA LYS A 40 4.116 -5.479 0.968 1.00 0.31 C ATOM 643 C LYS A 40 4.638 -6.747 0.319 1.00 0.29 C ATOM 644 O LYS A 40 4.619 -7.822 0.917 1.00 0.35 O ATOM 645 CB LYS A 40 5.084 -5.044 2.069 1.00 0.43 C ATOM 646 CG LYS A 40 4.834 -5.719 3.408 1.00 0.92 C ATOM 647 CD LYS A 40 6.122 -5.857 4.207 1.00 1.14 C ATOM 648 CE LYS A 40 6.300 -7.270 4.737 1.00 1.65 C ATOM 649 NZ LYS A 40 6.089 -8.292 3.676 1.00 1.97 N ATOM 0 H LYS A 40 2.730 -6.158 2.390 1.00 0.28 H new ATOM 0 HA LYS A 40 4.053 -4.701 0.207 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.104 -5.259 1.749 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.011 -3.964 2.198 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.109 -5.140 3.980 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.397 -6.704 3.245 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.972 -5.594 3.577 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.112 -5.154 5.040 1.00 1.14 H new ATOM 0 HE2 LYS A 40 7.302 -7.379 5.151 1.00 1.65 H new ATOM 0 HE3 LYS A 40 5.598 -7.443 5.552 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.520 -9.192 3.970 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 5.069 -8.430 3.525 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.530 -7.970 2.791 1.00 1.97 H new ATOM 663 N ARG A 41 5.124 -6.606 -0.905 1.00 0.36 N ATOM 664 CA ARG A 41 5.675 -7.729 -1.633 1.00 0.40 C ATOM 665 C ARG A 41 7.189 -7.617 -1.667 1.00 0.41 C ATOM 666 O ARG A 41 7.756 -6.972 -2.553 1.00 0.43 O ATOM 667 CB ARG A 41 5.125 -7.794 -3.061 1.00 0.46 C ATOM 668 CG ARG A 41 5.729 -8.921 -3.883 1.00 0.58 C ATOM 669 CD ARG A 41 4.670 -9.676 -4.670 1.00 0.88 C ATOM 670 NE ARG A 41 4.324 -8.996 -5.914 1.00 0.95 N ATOM 671 CZ ARG A 41 3.538 -9.524 -6.847 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.020 -10.730 -6.674 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.266 -8.842 -7.950 1.00 1.44 N ATOM 0 H ARG A 41 5.146 -5.721 -1.412 1.00 0.36 H new ATOM 0 HA ARG A 41 5.383 -8.645 -1.120 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.043 -7.921 -3.022 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.317 -6.845 -3.561 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.470 -8.513 -4.570 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.253 -9.612 -3.223 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.032 -10.680 -4.894 1.00 0.88 H new ATOM 0 HD3 ARG A 41 3.775 -9.789 -4.058 1.00 0.88 H new ATOM 0 HE ARG A 41 4.706 -8.064 -6.077 1.00 0.95 H new ATOM 0 HH11 ARG A 41 3.224 -11.255 -5.824 1.00 1.44 H new ATOM 0 HH12 ARG A 41 2.417 -11.134 -7.391 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.660 -7.911 -8.084 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.663 -9.248 -8.665 1.00 1.44 H new ATOM 687 N ASP A 42 7.841 -8.243 -0.695 1.00 0.50 N ATOM 688 CA ASP A 42 9.292 -8.212 -0.618 1.00 0.57 C ATOM 689 C ASP A 42 9.881 -8.885 -1.845 1.00 0.62 C ATOM 690 O ASP A 42 9.302 -9.826 -2.383 1.00 0.91 O ATOM 691 CB ASP A 42 9.792 -8.904 0.654 1.00 0.71 C ATOM 692 CG ASP A 42 8.875 -8.683 1.842 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.053 -7.745 1.793 1.00 1.49 O ATOM 694 OD2 ASP A 42 8.978 -9.451 2.823 1.00 1.59 O ATOM 0 H ASP A 42 7.388 -8.776 0.047 1.00 0.50 H new ATOM 0 HA ASP A 42 9.615 -7.171 -0.583 1.00 0.57 H new ATOM 0 HB2 ASP A 42 9.886 -9.974 0.467 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.788 -8.534 0.896 1.00 0.71 H new ATOM 699 N LEU A 43 11.025 -8.401 -2.294 1.00 0.63 N ATOM 700 CA LEU A 43 11.667 -8.971 -3.468 1.00 0.68 C ATOM 701 C LEU A 43 13.121 -9.343 -3.166 1.00 0.81 C ATOM 702 O LEU A 43 13.865 -8.537 -2.608 1.00 0.90 O ATOM 703 CB LEU A 43 11.585 -7.981 -4.632 1.00 0.62 C ATOM 704 CG LEU A 43 10.196 -7.362 -4.833 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.281 -6.077 -5.640 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.264 -8.355 -5.508 1.00 0.70 C ATOM 0 H LEU A 43 11.526 -7.621 -1.869 1.00 0.63 H new ATOM 0 HA LEU A 43 11.144 -9.886 -3.748 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.307 -7.181 -4.466 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.880 -8.491 -5.549 1.00 0.62 H new ATOM 0 HG LEU A 43 9.791 -7.116 -3.851 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.282 -5.660 -5.767 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.910 -5.358 -5.115 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.712 -6.290 -6.618 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.283 -7.899 -5.643 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.671 -8.634 -6.480 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.168 -9.245 -4.886 1.00 0.70 H new ATOM 718 N PRO A 44 13.551 -10.575 -3.519 1.00 0.92 N ATOM 719 CA PRO A 44 12.725 -11.583 -4.184 1.00 0.99 C ATOM 720 C PRO A 44 11.958 -12.471 -3.202 1.00 1.15 C ATOM 721 O PRO A 44 11.825 -13.675 -3.421 1.00 1.43 O ATOM 722 CB PRO A 44 13.750 -12.424 -4.962 1.00 1.15 C ATOM 723 CG PRO A 44 15.109 -11.975 -4.501 1.00 1.25 C ATOM 724 CD PRO A 44 14.902 -11.085 -3.305 1.00 1.08 C ATOM 0 HA PRO A 44 11.957 -11.122 -4.805 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.606 -13.487 -4.768 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.637 -12.277 -6.036 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.729 -12.832 -4.240 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.627 -11.437 -5.296 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.983 -11.638 -2.369 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.637 -10.281 -3.265 1.00 1.08 H new ATOM 732 N ASN A 45 11.455 -11.875 -2.125 1.00 1.14 N ATOM 733 CA ASN A 45 10.701 -12.623 -1.120 1.00 1.33 C ATOM 734 C ASN A 45 9.244 -12.165 -1.090 1.00 1.43 C ATOM 735 O ASN A 45 8.736 -11.751 -0.049 1.00 2.42 O ATOM 736 CB ASN A 45 11.333 -12.447 0.262 1.00 1.66 C ATOM 737 CG ASN A 45 12.621 -13.233 0.416 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.600 -14.426 0.721 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.750 -12.567 0.204 1.00 1.89 N ATOM 0 H ASN A 45 11.554 -10.880 -1.925 1.00 1.14 H new ATOM 0 HA ASN A 45 10.730 -13.679 -1.389 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.534 -11.390 0.434 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.623 -12.765 1.026 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.647 -13.044 0.292 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.720 -11.579 -0.047 1.00 1.89 H new ATOM 746 N GLY A 46 8.583 -12.232 -2.242 1.00 0.90 N ATOM 747 CA GLY A 46 7.196 -11.810 -2.329 1.00 1.12 C ATOM 748 C GLY A 46 6.266 -12.628 -1.457 1.00 0.76 C ATOM 749 O GLY A 46 6.661 -13.660 -0.913 1.00 0.96 O ATOM 0 H GLY A 46 8.983 -12.571 -3.117 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.124 -10.761 -2.042 1.00 1.12 H new ATOM 0 HA3 GLY A 46 6.866 -11.880 -3.366 1.00 1.12 H new ATOM 753 N ARG A 47 5.020 -12.161 -1.323 1.00 0.80 N ATOM 754 CA ARG A 47 4.008 -12.846 -0.509 1.00 0.76 C ATOM 755 C ARG A 47 2.848 -11.914 -0.149 1.00 0.85 C ATOM 756 O ARG A 47 1.747 -12.371 0.153 1.00 1.71 O ATOM 757 CB ARG A 47 4.626 -13.393 0.785 1.00 0.99 C ATOM 758 CG ARG A 47 5.666 -12.469 1.398 1.00 1.31 C ATOM 759 CD ARG A 47 5.245 -11.989 2.777 1.00 1.11 C ATOM 760 NE ARG A 47 5.619 -12.935 3.823 1.00 1.41 N ATOM 761 CZ ARG A 47 6.872 -13.149 4.207 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.868 -12.487 3.633 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.133 -14.027 5.166 1.00 2.03 N ATOM 0 H ARG A 47 4.686 -11.307 -1.770 1.00 0.80 H new ATOM 0 HA ARG A 47 3.625 -13.671 -1.110 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.833 -13.567 1.512 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.087 -14.359 0.578 1.00 0.99 H new ATOM 0 HG2 ARG A 47 6.620 -12.991 1.470 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.821 -11.610 0.745 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.706 -11.022 2.981 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.166 -11.837 2.794 1.00 1.11 H new ATOM 0 HE ARG A 47 4.877 -13.461 4.285 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.672 -11.811 2.894 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.829 -12.654 3.930 1.00 2.41 H new ATOM 0 HH21 ARG A 47 6.371 -14.539 5.610 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.096 -14.190 5.460 1.00 2.03 H new ATOM 777 N TRP A 48 3.104 -10.609 -0.169 1.00 0.50 N ATOM 778 CA TRP A 48 2.089 -9.622 0.168 1.00 0.43 C ATOM 779 C TRP A 48 1.652 -9.789 1.618 1.00 0.45 C ATOM 780 O TRP A 48 0.950 -10.742 1.954 1.00 0.65 O ATOM 781 CB TRP A 48 0.870 -9.759 -0.736 1.00 0.47 C ATOM 782 CG TRP A 48 1.149 -9.488 -2.178 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.995 -10.363 -3.210 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.626 -8.265 -2.752 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.348 -9.764 -4.389 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.739 -8.477 -4.137 1.00 0.42 C ATOM 787 CE3 TRP A 48 1.968 -7.012 -2.235 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.180 -7.487 -5.006 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.407 -6.033 -3.101 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.509 -6.278 -4.472 1.00 0.38 C ATOM 0 H TRP A 48 4.010 -10.212 -0.416 1.00 0.50 H new ATOM 0 HA TRP A 48 2.527 -8.634 0.025 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.469 -10.768 -0.638 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.096 -9.073 -0.391 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.646 -11.380 -3.113 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.324 -10.206 -5.308 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.890 -6.814 -1.176 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.259 -7.670 -6.068 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.676 -5.062 -2.713 1.00 0.36 H new ATOM 0 HH2 TRP A 48 2.857 -5.490 -5.124 1.00 0.38 H new ATOM 801 N LEU A 49 2.066 -8.864 2.473 1.00 0.38 N ATOM 802 CA LEU A 49 1.707 -8.925 3.882 1.00 0.42 C ATOM 803 C LEU A 49 1.487 -7.527 4.445 1.00 0.36 C ATOM 804 O LEU A 49 2.381 -6.682 4.403 1.00 0.39 O ATOM 805 CB LEU A 49 2.793 -9.649 4.679 1.00 0.52 C ATOM 806 CG LEU A 49 2.338 -10.939 5.365 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.353 -10.632 6.483 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.721 -11.889 4.351 1.00 0.84 C ATOM 0 H LEU A 49 2.648 -8.066 2.217 1.00 0.38 H new ATOM 0 HA LEU A 49 0.775 -9.483 3.971 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.620 -9.884 4.008 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.181 -8.969 5.437 1.00 0.52 H new ATOM 0 HG LEU A 49 3.210 -11.423 5.804 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.041 -11.562 6.959 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.830 -9.989 7.222 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.481 -10.125 6.070 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.402 -12.802 4.854 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.859 -11.413 3.884 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.458 -12.135 3.587 1.00 0.84 H new ATOM 820 N LYS A 50 0.290 -7.287 4.968 1.00 0.40 N ATOM 821 CA LYS A 50 -0.044 -5.989 5.535 1.00 0.40 C ATOM 822 C LYS A 50 1.009 -5.541 6.533 1.00 0.47 C ATOM 823 O LYS A 50 1.149 -6.122 7.610 1.00 0.85 O ATOM 824 CB LYS A 50 -1.406 -6.032 6.219 1.00 0.59 C ATOM 825 CG LYS A 50 -1.711 -7.353 6.901 1.00 0.72 C ATOM 826 CD LYS A 50 -2.717 -7.174 8.025 1.00 1.03 C ATOM 827 CE LYS A 50 -4.041 -6.637 7.508 1.00 0.86 C ATOM 828 NZ LYS A 50 -5.184 -7.060 8.360 1.00 1.30 N ATOM 0 H LYS A 50 -0.463 -7.974 5.010 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.078 -5.273 4.714 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.455 -5.233 6.959 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.180 -5.830 5.479 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.102 -8.061 6.170 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.791 -7.781 7.298 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.881 -8.129 8.524 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.312 -6.490 8.771 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -4.001 -5.548 7.470 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.200 -6.986 6.488 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -6.068 -6.673 7.972 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.239 -8.098 8.377 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -5.046 -6.705 9.328 1.00 1.30 H new ATOM 842 N ALA A 51 1.743 -4.502 6.171 1.00 0.45 N ATOM 843 CA ALA A 51 2.781 -3.970 7.037 1.00 0.63 C ATOM 844 C ALA A 51 2.304 -2.719 7.768 1.00 0.55 C ATOM 845 O ALA A 51 2.959 -2.254 8.701 1.00 0.72 O ATOM 846 CB ALA A 51 4.036 -3.670 6.233 1.00 0.86 C ATOM 0 H ALA A 51 1.639 -4.010 5.283 1.00 0.45 H new ATOM 0 HA ALA A 51 3.015 -4.726 7.787 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.805 -3.272 6.895 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.397 -4.587 5.767 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.806 -2.936 5.461 1.00 0.86 H new ATOM 852 N ASN A 52 1.163 -2.167 7.347 1.00 0.42 N ATOM 853 CA ASN A 52 0.638 -0.967 7.986 1.00 0.43 C ATOM 854 C ASN A 52 0.036 -1.269 9.354 1.00 0.59 C ATOM 855 O ASN A 52 0.493 -0.737 10.366 1.00 1.60 O ATOM 856 CB ASN A 52 -0.400 -0.271 7.100 1.00 0.38 C ATOM 857 CG ASN A 52 -1.448 -1.219 6.554 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.165 -2.037 5.678 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.667 -1.114 7.073 1.00 0.62 N ATOM 0 H ASN A 52 0.596 -2.527 6.579 1.00 0.42 H new ATOM 0 HA ASN A 52 1.483 -0.294 8.128 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.893 0.513 7.675 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.109 0.216 6.268 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.415 -1.727 6.747 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.855 -0.421 7.797 1.00 0.62 H new ATOM 866 N PHE A 53 -0.994 -2.114 9.393 1.00 0.81 N ATOM 867 CA PHE A 53 -1.655 -2.467 10.651 1.00 0.82 C ATOM 868 C PHE A 53 -2.609 -1.362 11.110 1.00 0.84 C ATOM 869 O PHE A 53 -3.773 -1.626 11.413 1.00 1.20 O ATOM 870 CB PHE A 53 -0.626 -2.750 11.749 1.00 0.96 C ATOM 871 CG PHE A 53 -1.192 -3.528 12.899 1.00 1.15 C ATOM 872 CD1 PHE A 53 -2.009 -4.621 12.667 1.00 1.32 C ATOM 873 CD2 PHE A 53 -0.913 -3.169 14.207 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.537 -5.343 13.717 1.00 1.66 C ATOM 875 CE2 PHE A 53 -1.439 -3.887 15.264 1.00 2.08 C ATOM 876 CZ PHE A 53 -2.251 -4.976 15.019 1.00 1.96 C ATOM 0 H PHE A 53 -1.389 -2.567 8.569 1.00 0.81 H new ATOM 0 HA PHE A 53 -2.236 -3.371 10.468 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.211 -3.302 11.321 1.00 0.96 H new ATOM 0 HB3 PHE A 53 -0.228 -1.805 12.118 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.236 -4.912 11.652 1.00 1.32 H new ATOM 0 HD2 PHE A 53 -0.277 -2.318 14.403 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.173 -6.194 13.522 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -1.215 -3.597 16.280 1.00 2.08 H new ATOM 0 HZ PHE A 53 -2.662 -5.540 15.843 1.00 1.96 H new ATOM 886 N SER A 54 -2.112 -0.127 11.166 1.00 0.79 N ATOM 887 CA SER A 54 -2.924 1.006 11.597 1.00 0.89 C ATOM 888 C SER A 54 -4.191 1.134 10.761 1.00 0.95 C ATOM 889 O SER A 54 -4.491 0.278 9.927 1.00 1.89 O ATOM 890 CB SER A 54 -2.114 2.302 11.515 1.00 1.00 C ATOM 891 OG SER A 54 -0.731 2.052 11.694 1.00 1.71 O ATOM 0 H SER A 54 -1.152 0.112 10.918 1.00 0.79 H new ATOM 0 HA SER A 54 -3.217 0.828 12.632 1.00 0.89 H new ATOM 0 HB2 SER A 54 -2.279 2.777 10.548 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.462 3.001 12.276 1.00 1.00 H new ATOM 0 HG SER A 54 -0.236 2.896 11.635 1.00 1.71 H new ATOM 897 N ASN A 55 -4.933 2.211 10.997 1.00 0.75 N ATOM 898 CA ASN A 55 -6.174 2.463 10.277 1.00 0.69 C ATOM 899 C ASN A 55 -5.964 3.510 9.187 1.00 0.66 C ATOM 900 O ASN A 55 -6.291 4.684 9.363 1.00 1.05 O ATOM 901 CB ASN A 55 -7.264 2.916 11.261 1.00 0.84 C ATOM 902 CG ASN A 55 -8.497 3.505 10.590 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.771 3.092 9.356 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -9.199 4.327 11.181 1.00 0.83 N flip ATOM 0 H ASN A 55 -4.694 2.926 11.685 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.495 1.539 9.796 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.566 2.064 11.870 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.842 3.658 11.938 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.955 4.619 12.128 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -10.024 4.716 10.724 1.00 0.83 H new ATOM 911 N ILE A 56 -5.416 3.071 8.061 1.00 0.40 N ATOM 912 CA ILE A 56 -5.162 3.957 6.933 1.00 0.33 C ATOM 913 C ILE A 56 -6.470 4.367 6.263 1.00 0.31 C ATOM 914 O ILE A 56 -7.076 3.584 5.533 1.00 0.53 O ATOM 915 CB ILE A 56 -4.245 3.282 5.894 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.937 2.832 6.548 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.966 4.226 4.737 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.066 1.982 5.646 1.00 0.69 C ATOM 0 H ILE A 56 -5.138 2.102 7.905 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.663 4.845 7.320 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.755 2.402 5.503 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.374 3.713 6.857 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.168 2.268 7.452 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.317 3.733 4.013 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.905 4.499 4.256 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.475 5.125 5.111 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.157 1.701 6.178 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.610 1.083 5.357 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.803 2.550 4.753 1.00 0.69 H new ATOM 930 N LEU A 57 -6.908 5.595 6.524 1.00 0.44 N ATOM 931 CA LEU A 57 -8.154 6.100 5.954 1.00 0.45 C ATOM 932 C LEU A 57 -7.902 7.239 4.967 1.00 0.42 C ATOM 933 O LEU A 57 -8.403 7.220 3.844 1.00 0.60 O ATOM 934 CB LEU A 57 -9.080 6.579 7.075 1.00 0.48 C ATOM 935 CG LEU A 57 -10.397 7.201 6.611 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.265 6.155 5.927 1.00 0.72 C ATOM 937 CD2 LEU A 57 -11.135 7.828 7.786 1.00 1.60 C ATOM 0 H LEU A 57 -6.420 6.258 7.126 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.627 5.284 5.408 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -9.305 5.733 7.725 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.544 7.311 7.679 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.174 7.987 5.890 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.199 6.613 5.602 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.738 5.754 5.062 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.481 5.347 6.627 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -12.070 8.266 7.437 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -11.349 7.062 8.532 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -10.515 8.605 8.232 1.00 1.60 H new ATOM 949 N GLU A 58 -7.132 8.232 5.398 1.00 0.39 N ATOM 950 CA GLU A 58 -6.823 9.385 4.555 1.00 0.43 C ATOM 951 C GLU A 58 -6.175 8.975 3.234 1.00 0.51 C ATOM 952 O GLU A 58 -6.186 9.741 2.277 1.00 1.09 O ATOM 953 CB GLU A 58 -5.900 10.351 5.296 1.00 0.44 C ATOM 954 CG GLU A 58 -4.737 9.671 6.001 1.00 0.44 C ATOM 955 CD GLU A 58 -4.695 9.975 7.484 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.558 11.163 7.843 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.799 9.025 8.289 1.00 1.54 O ATOM 0 H GLU A 58 -6.710 8.263 6.326 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.769 9.877 4.327 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.507 11.079 4.587 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.484 10.905 6.031 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.810 8.593 5.857 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.802 9.991 5.542 1.00 0.44 H new ATOM 964 N ASN A 59 -5.613 7.766 3.203 1.00 0.31 N ATOM 965 CA ASN A 59 -4.942 7.209 2.021 1.00 0.28 C ATOM 966 C ASN A 59 -3.455 7.574 1.991 1.00 0.28 C ATOM 967 O ASN A 59 -2.645 6.858 1.403 1.00 0.49 O ATOM 968 CB ASN A 59 -5.668 7.628 0.732 1.00 0.32 C ATOM 969 CG ASN A 59 -5.097 8.864 0.046 1.00 0.86 C ATOM 970 OD1 ASN A 59 -4.389 9.664 0.658 1.00 1.75 O ATOM 971 ND2 ASN A 59 -5.412 9.025 -1.232 1.00 0.91 N ATOM 0 H ASN A 59 -5.609 7.136 4.006 1.00 0.31 H new ATOM 0 HA ASN A 59 -4.993 6.122 2.086 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.640 6.795 0.030 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.716 7.812 0.966 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -5.065 9.835 -1.745 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.002 8.338 -1.702 1.00 0.91 H new ATOM 978 N GLU A 60 -3.103 8.679 2.637 1.00 0.29 N ATOM 979 CA GLU A 60 -1.720 9.120 2.694 1.00 0.29 C ATOM 980 C GLU A 60 -1.008 8.352 3.792 1.00 0.27 C ATOM 981 O GLU A 60 -0.946 8.797 4.937 1.00 0.35 O ATOM 982 CB GLU A 60 -1.647 10.623 2.965 1.00 0.34 C ATOM 983 CG GLU A 60 -0.229 11.170 2.982 1.00 0.49 C ATOM 984 CD GLU A 60 0.207 11.701 1.631 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.376 11.278 0.611 1.00 1.91 O ATOM 986 OE2 GLU A 60 1.129 12.542 1.595 1.00 2.05 O ATOM 0 H GLU A 60 -3.760 9.285 3.129 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.236 8.927 1.736 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.221 11.149 2.203 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.121 10.834 3.924 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.160 11.968 3.721 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.456 10.383 3.297 1.00 0.49 H new ATOM 993 N PHE A 61 -0.494 7.180 3.445 1.00 0.24 N ATOM 994 CA PHE A 61 0.183 6.342 4.419 1.00 0.24 C ATOM 995 C PHE A 61 1.629 6.058 4.022 1.00 0.24 C ATOM 996 O PHE A 61 2.034 6.278 2.882 1.00 0.25 O ATOM 997 CB PHE A 61 -0.595 5.031 4.580 1.00 0.28 C ATOM 998 CG PHE A 61 0.142 3.992 5.375 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.054 3.976 6.755 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.905 3.025 4.742 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.714 3.018 7.493 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.570 2.063 5.475 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.531 2.086 6.835 1.00 0.48 C ATOM 0 H PHE A 61 -0.533 6.792 2.503 1.00 0.24 H new ATOM 0 HA PHE A 61 0.213 6.876 5.369 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.548 5.240 5.066 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.822 4.629 3.593 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.539 4.724 7.260 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.980 3.024 3.665 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.604 2.985 8.567 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.124 1.288 4.967 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.127 1.389 7.406 1.00 0.48 H new ATOM 1013 N THR A 62 2.397 5.560 4.986 1.00 0.25 N ATOM 1014 CA THR A 62 3.792 5.232 4.762 1.00 0.27 C ATOM 1015 C THR A 62 4.068 3.777 5.108 1.00 0.29 C ATOM 1016 O THR A 62 3.832 3.343 6.235 1.00 0.35 O ATOM 1017 CB THR A 62 4.699 6.150 5.584 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.427 7.511 5.302 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.172 5.917 5.339 1.00 0.37 C ATOM 0 H THR A 62 2.070 5.375 5.934 1.00 0.25 H new ATOM 0 HA THR A 62 4.008 5.382 3.704 1.00 0.27 H new ATOM 0 HB THR A 62 4.479 5.911 6.624 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.803 7.746 4.428 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.756 6.602 5.954 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.426 4.889 5.599 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.398 6.092 4.287 1.00 0.37 H new ATOM 1027 N VAL A 63 4.571 3.025 4.133 1.00 0.31 N ATOM 1028 CA VAL A 63 4.875 1.620 4.345 1.00 0.36 C ATOM 1029 C VAL A 63 6.229 1.455 5.021 1.00 0.38 C ATOM 1030 O VAL A 63 7.273 1.455 4.366 1.00 0.50 O ATOM 1031 CB VAL A 63 4.854 0.833 3.024 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.861 -0.664 3.292 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.639 1.226 2.201 1.00 0.58 C ATOM 0 H VAL A 63 4.775 3.366 3.194 1.00 0.31 H new ATOM 0 HA VAL A 63 4.100 1.217 4.997 1.00 0.36 H new ATOM 0 HB VAL A 63 5.752 1.079 2.457 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.846 -1.203 2.345 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.761 -0.930 3.847 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.981 -0.933 3.877 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.634 0.663 1.268 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.732 1.005 2.763 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.678 2.293 1.981 1.00 0.58 H new ATOM 1043 N SER A 64 6.196 1.322 6.341 1.00 0.49 N ATOM 1044 CA SER A 64 7.411 1.159 7.128 1.00 0.55 C ATOM 1045 C SER A 64 7.858 -0.300 7.136 1.00 0.63 C ATOM 1046 O SER A 64 7.493 -1.072 6.250 1.00 0.99 O ATOM 1047 CB SER A 64 7.183 1.649 8.559 1.00 0.63 C ATOM 1048 OG SER A 64 8.362 1.527 9.336 1.00 1.33 O ATOM 0 H SER A 64 5.337 1.324 6.891 1.00 0.49 H new ATOM 0 HA SER A 64 8.199 1.757 6.671 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.861 2.690 8.543 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.380 1.074 9.020 1.00 0.63 H new ATOM 0 HG SER A 64 8.167 1.016 10.149 1.00 1.33 H new ATOM 1054 N GLY A 65 8.652 -0.671 8.135 1.00 0.71 N ATOM 1055 CA GLY A 65 9.132 -2.037 8.226 1.00 0.78 C ATOM 1056 C GLY A 65 9.898 -2.459 6.990 1.00 0.72 C ATOM 1057 O GLY A 65 10.064 -3.652 6.732 1.00 0.90 O ATOM 0 H GLY A 65 8.971 -0.052 8.881 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.774 -2.137 9.101 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.286 -2.708 8.374 1.00 0.78 H new ATOM 1061 N LEU A 66 10.369 -1.480 6.221 1.00 0.64 N ATOM 1062 CA LEU A 66 11.125 -1.761 5.006 1.00 0.65 C ATOM 1063 C LEU A 66 12.538 -2.216 5.347 1.00 0.59 C ATOM 1064 O LEU A 66 12.893 -2.355 6.517 1.00 0.65 O ATOM 1065 CB LEU A 66 11.184 -0.516 4.116 1.00 0.74 C ATOM 1066 CG LEU A 66 9.877 -0.154 3.403 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.969 1.250 2.822 1.00 0.89 C ATOM 1068 CD2 LEU A 66 9.565 -1.168 2.313 1.00 1.47 C ATOM 0 H LEU A 66 10.240 -0.488 6.418 1.00 0.64 H new ATOM 0 HA LEU A 66 10.618 -2.561 4.467 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.491 0.332 4.727 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.959 -0.664 3.364 1.00 0.74 H new ATOM 0 HG LEU A 66 9.064 -0.176 4.129 1.00 0.89 H new ATOM 0 HD11 LEU A 66 9.035 1.497 2.318 1.00 0.89 H new ATOM 0 HD12 LEU A 66 10.148 1.965 3.625 1.00 0.89 H new ATOM 0 HD13 LEU A 66 10.790 1.295 2.107 1.00 0.89 H new ATOM 0 HD21 LEU A 66 8.633 -0.895 1.818 1.00 1.47 H new ATOM 0 HD22 LEU A 66 10.375 -1.178 1.583 1.00 1.47 H new ATOM 0 HD23 LEU A 66 9.463 -2.159 2.756 1.00 1.47 H new ATOM 1080 N THR A 67 13.344 -2.442 4.316 1.00 0.65 N ATOM 1081 CA THR A 67 14.723 -2.877 4.504 1.00 0.69 C ATOM 1082 C THR A 67 15.629 -2.268 3.441 1.00 0.72 C ATOM 1083 O THR A 67 15.223 -2.095 2.292 1.00 1.06 O ATOM 1084 CB THR A 67 14.817 -4.401 4.458 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.066 -4.983 5.509 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.236 -4.916 4.566 1.00 0.99 C ATOM 0 H THR A 67 13.066 -2.331 3.341 1.00 0.65 H new ATOM 0 HA THR A 67 15.054 -2.534 5.484 1.00 0.69 H new ATOM 0 HB THR A 67 14.418 -4.686 3.485 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.310 -5.480 5.134 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.232 -6.005 4.527 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.829 -4.525 3.739 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.671 -4.589 5.510 1.00 0.99 H new ATOM 1094 N GLU A 68 16.853 -1.941 3.832 1.00 0.66 N ATOM 1095 CA GLU A 68 17.811 -1.350 2.911 1.00 0.67 C ATOM 1096 C GLU A 68 18.285 -2.374 1.885 1.00 0.60 C ATOM 1097 O GLU A 68 18.394 -3.563 2.182 1.00 0.69 O ATOM 1098 CB GLU A 68 19.006 -0.789 3.682 1.00 0.76 C ATOM 1099 CG GLU A 68 19.693 0.365 2.974 1.00 0.96 C ATOM 1100 CD GLU A 68 20.913 0.867 3.723 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.888 0.856 4.971 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.892 1.268 3.061 1.00 1.89 O ATOM 0 H GLU A 68 17.205 -2.075 4.780 1.00 0.66 H new ATOM 0 HA GLU A 68 17.315 -0.538 2.380 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.671 -0.455 4.664 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.730 -1.587 3.846 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.990 0.048 1.974 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.985 1.184 2.851 1.00 0.96 H new ATOM 1109 N ASP A 69 18.565 -1.900 0.676 1.00 0.52 N ATOM 1110 CA ASP A 69 19.027 -2.767 -0.400 1.00 0.49 C ATOM 1111 C ASP A 69 17.994 -3.842 -0.723 1.00 0.44 C ATOM 1112 O ASP A 69 18.344 -5.000 -0.953 1.00 0.54 O ATOM 1113 CB ASP A 69 20.357 -3.418 -0.017 1.00 0.59 C ATOM 1114 CG ASP A 69 21.320 -3.499 -1.185 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.906 -3.178 -2.319 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.488 -3.884 -0.967 1.00 1.66 O ATOM 0 H ASP A 69 18.480 -0.917 0.417 1.00 0.52 H new ATOM 0 HA ASP A 69 19.170 -2.154 -1.290 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.817 -2.849 0.791 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.170 -4.421 0.366 1.00 0.59 H new ATOM 1121 N ALA A 70 16.718 -3.459 -0.741 1.00 0.40 N ATOM 1122 CA ALA A 70 15.648 -4.401 -1.038 1.00 0.40 C ATOM 1123 C ALA A 70 14.461 -3.704 -1.693 1.00 0.35 C ATOM 1124 O ALA A 70 13.912 -2.748 -1.145 1.00 0.36 O ATOM 1125 CB ALA A 70 15.198 -5.106 0.232 1.00 0.49 C ATOM 0 H ALA A 70 16.404 -2.507 -0.554 1.00 0.40 H new ATOM 0 HA ALA A 70 16.039 -5.138 -1.739 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.398 -5.807 -0.005 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.039 -5.648 0.665 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.834 -4.369 0.948 1.00 0.49 H new ATOM 1131 N ALA A 71 14.065 -4.192 -2.864 1.00 0.33 N ATOM 1132 CA ALA A 71 12.934 -3.618 -3.581 1.00 0.30 C ATOM 1133 C ALA A 71 11.625 -4.089 -2.956 1.00 0.27 C ATOM 1134 O ALA A 71 11.434 -5.283 -2.727 1.00 0.36 O ATOM 1135 CB ALA A 71 13.001 -3.983 -5.057 1.00 0.34 C ATOM 0 H ALA A 71 14.509 -4.981 -3.335 1.00 0.33 H new ATOM 0 HA ALA A 71 12.978 -2.532 -3.503 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.149 -3.547 -5.579 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.926 -3.597 -5.486 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.976 -5.067 -5.165 1.00 0.34 H new ATOM 1141 N TYR A 72 10.734 -3.146 -2.656 1.00 0.24 N ATOM 1142 CA TYR A 72 9.461 -3.487 -2.026 1.00 0.24 C ATOM 1143 C TYR A 72 8.250 -2.933 -2.779 1.00 0.21 C ATOM 1144 O TYR A 72 8.154 -1.730 -3.022 1.00 0.23 O ATOM 1145 CB TYR A 72 9.437 -2.949 -0.597 1.00 0.30 C ATOM 1146 CG TYR A 72 10.296 -3.725 0.368 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.811 -4.883 0.960 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.583 -3.305 0.693 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.575 -5.605 1.848 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.358 -4.026 1.584 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.850 -5.175 2.159 1.00 0.46 C ATOM 1152 OH TYR A 72 12.620 -5.894 3.047 1.00 0.56 O ATOM 0 H TYR A 72 10.868 -2.151 -2.837 1.00 0.24 H new ATOM 0 HA TYR A 72 9.387 -4.574 -2.040 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.767 -1.910 -0.606 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.409 -2.954 -0.236 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.815 -5.224 0.719 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.981 -2.407 0.245 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.180 -6.503 2.299 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.355 -3.692 1.829 1.00 0.42 H new ATOM 0 HH TYR A 72 13.356 -6.327 2.566 1.00 0.56 H new ATOM 1162 N GLU A 73 7.313 -3.821 -3.113 1.00 0.21 N ATOM 1163 CA GLU A 73 6.086 -3.426 -3.807 1.00 0.21 C ATOM 1164 C GLU A 73 4.947 -3.323 -2.795 1.00 0.23 C ATOM 1165 O GLU A 73 4.834 -4.165 -1.908 1.00 0.32 O ATOM 1166 CB GLU A 73 5.732 -4.444 -4.894 1.00 0.25 C ATOM 1167 CG GLU A 73 6.273 -4.083 -6.267 1.00 0.65 C ATOM 1168 CD GLU A 73 5.248 -4.283 -7.366 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.887 -5.448 -7.636 1.00 1.50 O ATOM 1170 OE2 GLU A 73 4.807 -3.276 -7.958 1.00 1.32 O ATOM 0 H GLU A 73 7.380 -4.819 -2.914 1.00 0.21 H new ATOM 0 HA GLU A 73 6.241 -2.458 -4.283 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.120 -5.421 -4.605 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.648 -4.537 -4.953 1.00 0.25 H new ATOM 0 HG2 GLU A 73 6.599 -3.043 -6.264 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.152 -4.692 -6.479 1.00 0.65 H new ATOM 1177 N PHE A 74 4.112 -2.290 -2.899 1.00 0.22 N ATOM 1178 CA PHE A 74 3.009 -2.140 -1.923 1.00 0.28 C ATOM 1179 C PHE A 74 1.627 -2.057 -2.573 1.00 0.25 C ATOM 1180 O PHE A 74 1.327 -1.122 -3.308 1.00 0.30 O ATOM 1181 CB PHE A 74 3.225 -0.912 -1.023 1.00 0.39 C ATOM 1182 CG PHE A 74 4.628 -0.380 -1.045 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.670 -1.111 -0.502 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.902 0.847 -1.618 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.961 -0.625 -0.532 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.187 1.335 -1.651 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.218 0.599 -1.108 1.00 0.53 C ATOM 0 H PHE A 74 4.164 -1.566 -3.615 1.00 0.22 H new ATOM 0 HA PHE A 74 3.031 -3.048 -1.320 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.542 -0.121 -1.334 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.963 -1.174 0.002 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.471 -2.072 -0.050 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.098 1.429 -2.044 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.767 -1.203 -0.105 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.388 2.295 -2.102 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.227 0.982 -1.134 1.00 0.53 H new ATOM 1197 N ARG A 75 0.781 -3.044 -2.270 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.580 -3.096 -2.806 1.00 0.34 C ATOM 1199 C ARG A 75 -1.600 -2.642 -1.757 1.00 0.31 C ATOM 1200 O ARG A 75 -1.416 -2.876 -0.563 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.868 -4.517 -3.339 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.744 -5.400 -2.460 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.321 -6.866 -2.538 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.012 -7.292 -3.908 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.188 -8.533 -4.362 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -1.665 -9.486 -3.570 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.878 -8.823 -5.617 1.00 1.87 N ATOM 0 H ARG A 75 1.017 -3.821 -1.653 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.672 -2.401 -3.641 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.343 -4.427 -4.316 1.00 0.46 H new ATOM 0 HB3 ARG A 75 0.084 -5.024 -3.494 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -1.685 -5.058 -1.427 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.785 -5.304 -2.769 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -0.446 -7.022 -1.907 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.118 -7.492 -2.138 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.639 -6.595 -4.553 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -1.902 -9.273 -2.601 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -1.795 -10.431 -3.931 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.506 -8.098 -6.231 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.011 -9.771 -5.969 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.669 -1.981 -2.207 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.696 -1.490 -1.280 1.00 0.39 C ATOM 1223 C VAL A 76 -4.980 -2.323 -1.334 1.00 0.31 C ATOM 1224 O VAL A 76 -5.789 -2.185 -2.251 1.00 0.43 O ATOM 1225 CB VAL A 76 -4.038 0.007 -1.531 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -5.294 0.429 -0.775 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.878 0.899 -1.118 1.00 0.54 C ATOM 0 H VAL A 76 -2.847 -1.775 -3.190 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.265 -1.591 -0.284 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.221 0.121 -2.599 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.502 1.480 -0.974 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -6.138 -0.177 -1.105 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -5.140 0.286 0.295 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -3.137 1.942 -1.302 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.670 0.758 -0.057 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.993 0.638 -1.699 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.168 -3.153 -0.314 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.354 -3.972 -0.187 1.00 0.31 C ATOM 1239 C ILE A 77 -7.218 -3.336 0.897 1.00 0.30 C ATOM 1240 O ILE A 77 -6.684 -2.744 1.827 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.992 -5.431 0.200 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.488 -6.192 -1.021 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.180 -6.158 0.813 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.979 -7.581 -0.700 1.00 0.42 C ATOM 0 H ILE A 77 -4.498 -3.272 0.446 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.884 -4.019 -1.138 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.201 -5.388 0.949 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.295 -6.269 -1.750 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.688 -5.620 -1.491 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.890 -7.176 1.071 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.503 -5.633 1.712 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.000 -6.186 0.095 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.637 -8.064 -1.615 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.151 -7.511 0.005 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.783 -8.170 -0.258 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.533 -3.434 0.794 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.374 -2.821 1.817 1.00 0.30 C ATOM 1258 C ALA A 78 -10.811 -3.294 1.754 1.00 0.34 C ATOM 1259 O ALA A 78 -11.355 -3.514 0.681 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.324 -1.312 1.690 1.00 0.39 C ATOM 0 H ALA A 78 -9.030 -3.913 0.043 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.976 -3.129 2.784 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.954 -0.861 2.457 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.297 -0.970 1.817 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.685 -1.018 0.705 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.426 -3.432 2.919 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.809 -3.860 2.992 1.00 0.43 C ATOM 1268 C LYS A 79 -13.736 -2.665 2.832 1.00 0.59 C ATOM 1269 O LYS A 79 -13.290 -1.559 2.525 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.085 -4.575 4.315 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.950 -3.678 5.535 1.00 1.07 C ATOM 1272 CD LYS A 79 -14.304 -3.361 6.147 1.00 1.50 C ATOM 1273 CE LYS A 79 -14.430 -3.935 7.549 1.00 1.71 C ATOM 1274 NZ LYS A 79 -14.260 -5.415 7.562 1.00 1.98 N ATOM 0 H LYS A 79 -10.988 -3.254 3.823 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.997 -4.562 2.180 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -14.093 -4.990 4.290 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -12.397 -5.414 4.414 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.319 -4.166 6.278 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.451 -2.751 5.253 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.445 -2.281 6.181 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -15.094 -3.766 5.515 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.682 -3.478 8.197 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -15.406 -3.678 7.960 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -14.675 -5.804 8.432 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -14.739 -5.827 6.736 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.247 -5.648 7.527 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.026 -2.889 3.035 1.00 0.65 N ATOM 1289 CA ASN A 80 -16.008 -1.823 2.906 1.00 0.70 C ATOM 1290 C ASN A 80 -16.858 -1.720 4.191 1.00 0.87 C ATOM 1291 O ASN A 80 -16.295 -1.633 5.282 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.834 -2.059 1.630 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.666 -3.328 1.687 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.943 -3.856 2.764 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.067 -3.825 0.524 1.00 2.05 N ATOM 0 H ASN A 80 -15.416 -3.797 3.289 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.520 -0.854 2.798 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.493 -1.206 1.468 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.162 -2.110 0.773 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.627 -4.677 0.499 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.815 -3.355 -0.346 1.00 2.05 H new ATOM 1302 N ALA A 81 -18.190 -1.721 4.092 1.00 0.76 N ATOM 1303 CA ALA A 81 -19.036 -1.619 5.274 1.00 0.82 C ATOM 1304 C ALA A 81 -19.874 -2.883 5.466 1.00 0.88 C ATOM 1305 O ALA A 81 -20.245 -3.230 6.588 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.941 -0.401 5.157 1.00 0.83 C ATOM 0 H ALA A 81 -18.699 -1.791 3.211 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.392 -1.508 6.147 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.571 -0.330 6.043 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.331 0.498 5.072 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.569 -0.498 4.272 1.00 0.83 H new ATOM 1312 N ALA A 82 -20.177 -3.564 4.362 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.977 -4.784 4.404 1.00 0.90 C ATOM 1314 C ALA A 82 -20.139 -6.012 4.765 1.00 0.88 C ATOM 1315 O ALA A 82 -20.646 -7.134 4.761 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.671 -4.997 3.068 1.00 0.94 C ATOM 0 H ALA A 82 -19.879 -3.290 3.426 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.724 -4.659 5.188 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.266 -5.910 3.108 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.322 -4.149 2.857 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.923 -5.086 2.280 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.863 -5.804 5.080 1.00 0.82 N ATOM 1323 CA GLY A 83 -18.003 -6.918 5.439 1.00 0.86 C ATOM 1324 C GLY A 83 -17.253 -7.505 4.254 1.00 0.78 C ATOM 1325 O GLY A 83 -16.416 -8.391 4.427 1.00 0.93 O ATOM 0 H GLY A 83 -18.412 -4.889 5.093 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -17.283 -6.586 6.187 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.606 -7.699 5.902 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.544 -7.017 3.049 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.876 -7.513 1.850 1.00 0.78 C ATOM 1331 C ALA A 84 -15.462 -6.956 1.760 1.00 0.76 C ATOM 1332 O ALA A 84 -15.136 -5.970 2.422 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.675 -7.154 0.605 1.00 0.92 C ATOM 0 H ALA A 84 -18.233 -6.284 2.879 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.814 -8.599 1.914 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.161 -7.532 -0.279 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.667 -7.602 0.667 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.770 -6.071 0.534 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.619 -7.586 0.951 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.244 -7.130 0.808 1.00 0.40 C ATOM 1341 C ILE A 85 -12.936 -6.631 -0.595 1.00 0.38 C ATOM 1342 O ILE A 85 -13.035 -7.379 -1.570 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.229 -8.231 1.164 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.817 -7.641 1.207 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.305 -9.373 0.158 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.434 -7.085 2.562 1.00 0.79 C ATOM 0 H ILE A 85 -14.860 -8.404 0.391 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.146 -6.302 1.510 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.472 -8.631 2.148 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.101 -8.413 0.925 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.741 -6.848 0.463 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.581 -10.142 0.425 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.308 -9.800 0.167 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.081 -8.995 -0.839 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.421 -6.684 2.518 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.127 -6.290 2.838 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.477 -7.880 3.307 1.00 0.79 H new ATOM 1358 N SER A 86 -12.538 -5.369 -0.685 1.00 0.39 N ATOM 1359 CA SER A 86 -12.182 -4.774 -1.964 1.00 0.45 C ATOM 1360 C SER A 86 -10.818 -5.305 -2.405 1.00 0.44 C ATOM 1361 O SER A 86 -9.803 -5.027 -1.756 1.00 0.43 O ATOM 1362 CB SER A 86 -12.144 -3.242 -1.860 1.00 0.54 C ATOM 1363 OG SER A 86 -10.841 -2.773 -1.541 1.00 0.59 O ATOM 0 H SER A 86 -12.454 -4.739 0.113 1.00 0.39 H new ATOM 0 HA SER A 86 -12.936 -5.045 -2.703 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.468 -2.804 -2.804 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.848 -2.911 -1.097 1.00 0.54 H new ATOM 0 HG SER A 86 -10.473 -3.305 -0.805 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.773 -6.082 -3.504 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.529 -6.656 -4.017 1.00 0.61 C ATOM 1371 C PRO A 87 -8.344 -5.696 -3.923 1.00 0.54 C ATOM 1372 O PRO A 87 -8.518 -4.491 -3.735 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.870 -6.954 -5.471 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.327 -7.272 -5.457 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.932 -6.469 -4.332 1.00 0.59 C ATOM 0 HA PRO A 87 -9.213 -7.528 -3.444 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.657 -6.098 -6.112 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.285 -7.791 -5.852 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.789 -7.014 -6.410 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.489 -8.339 -5.303 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.464 -5.595 -4.707 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.650 -7.059 -3.762 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.113 -6.227 -4.052 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.888 -5.423 -3.976 1.00 0.56 C ATOM 1385 C PRO A 88 -5.774 -4.401 -5.096 1.00 0.48 C ATOM 1386 O PRO A 88 -6.186 -4.650 -6.229 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.762 -6.457 -4.092 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.391 -7.651 -4.724 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.823 -7.655 -4.274 1.00 0.72 C ATOM 0 HA PRO A 88 -5.861 -4.838 -3.057 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.940 -6.077 -4.699 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.349 -6.701 -3.113 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.324 -7.597 -5.811 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.884 -8.566 -4.418 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.481 -8.086 -5.029 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.957 -8.239 -3.363 1.00 0.72 H new ATOM 1397 N SER A 89 -5.200 -3.250 -4.766 1.00 0.43 N ATOM 1398 CA SER A 89 -5.012 -2.181 -5.734 1.00 0.42 C ATOM 1399 C SER A 89 -3.586 -2.205 -6.264 1.00 0.35 C ATOM 1400 O SER A 89 -2.634 -2.207 -5.477 1.00 0.51 O ATOM 1401 CB SER A 89 -5.312 -0.826 -5.097 1.00 0.56 C ATOM 1402 OG SER A 89 -6.690 -0.521 -5.181 1.00 1.28 O ATOM 0 H SER A 89 -4.856 -3.035 -3.830 1.00 0.43 H new ATOM 0 HA SER A 89 -5.702 -2.335 -6.563 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.001 -0.834 -4.052 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.733 -0.049 -5.596 1.00 0.56 H new ATOM 0 HG SER A 89 -6.826 0.206 -5.824 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.469 -2.232 -7.606 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.180 -2.268 -8.324 1.00 0.37 C ATOM 1410 C GLU A 90 -1.008 -1.769 -7.477 1.00 0.34 C ATOM 1411 O GLU A 90 -0.793 -0.567 -7.354 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.276 -1.436 -9.605 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.948 -2.221 -10.865 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.784 -1.330 -12.082 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.277 -0.183 -12.050 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.162 -1.781 -13.067 1.00 1.77 O ATOM 0 H GLU A 90 -4.277 -2.229 -8.229 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.981 -3.313 -8.561 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.284 -1.031 -9.691 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.597 -0.587 -9.529 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.030 -2.787 -10.707 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.740 -2.945 -11.054 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.243 -2.701 -6.879 1.00 0.30 N ATOM 1424 CA PRO A 91 0.902 -2.383 -6.032 1.00 0.29 C ATOM 1425 C PRO A 91 1.715 -1.172 -6.456 1.00 0.31 C ATOM 1426 O PRO A 91 1.606 -0.668 -7.574 1.00 0.55 O ATOM 1427 CB PRO A 91 1.758 -3.625 -6.158 1.00 0.36 C ATOM 1428 CG PRO A 91 0.784 -4.743 -6.290 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.441 -4.165 -6.966 1.00 0.39 C ATOM 0 HA PRO A 91 0.565 -2.126 -5.028 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.415 -3.567 -7.026 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.396 -3.757 -5.284 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.205 -5.557 -6.880 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.531 -5.155 -5.313 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.519 -4.496 -8.002 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.357 -4.474 -6.463 1.00 0.39 H new ATOM 1437 N SER A 92 2.553 -0.740 -5.524 1.00 0.27 N ATOM 1438 CA SER A 92 3.445 0.386 -5.714 1.00 0.31 C ATOM 1439 C SER A 92 4.783 -0.122 -6.198 1.00 0.27 C ATOM 1440 O SER A 92 5.248 -1.168 -5.731 1.00 0.24 O ATOM 1441 CB SER A 92 3.651 1.119 -4.394 1.00 0.39 C ATOM 1442 OG SER A 92 2.718 2.160 -4.218 1.00 1.23 O ATOM 0 H SER A 92 2.630 -1.171 -4.603 1.00 0.27 H new ATOM 0 HA SER A 92 3.008 1.068 -6.444 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.565 0.412 -3.569 1.00 0.39 H new ATOM 0 HB3 SER A 92 4.661 1.528 -4.360 1.00 0.39 H new ATOM 0 HG SER A 92 2.553 2.600 -5.078 1.00 1.23 H new ATOM 1448 N ASP A 93 5.402 0.617 -7.118 1.00 0.33 N ATOM 1449 CA ASP A 93 6.704 0.242 -7.667 1.00 0.36 C ATOM 1450 C ASP A 93 7.621 -0.314 -6.590 1.00 0.32 C ATOM 1451 O ASP A 93 7.662 0.195 -5.470 1.00 0.56 O ATOM 1452 CB ASP A 93 7.371 1.445 -8.329 1.00 0.45 C ATOM 1453 CG ASP A 93 7.476 1.302 -9.835 1.00 0.89 C ATOM 1454 OD1 ASP A 93 7.689 0.168 -10.312 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.346 2.327 -10.539 1.00 1.55 O ATOM 0 H ASP A 93 5.021 1.482 -7.500 1.00 0.33 H new ATOM 0 HA ASP A 93 6.533 -0.535 -8.412 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.804 2.345 -8.093 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.369 1.578 -7.911 1.00 0.45 H new ATOM 1460 N ALA A 94 8.354 -1.355 -6.935 1.00 0.33 N ATOM 1461 CA ALA A 94 9.268 -1.970 -5.991 1.00 0.28 C ATOM 1462 C ALA A 94 10.448 -1.041 -5.730 1.00 0.29 C ATOM 1463 O ALA A 94 11.359 -0.934 -6.551 1.00 0.41 O ATOM 1464 CB ALA A 94 9.748 -3.318 -6.508 1.00 0.34 C ATOM 0 H ALA A 94 8.335 -1.791 -7.857 1.00 0.33 H new ATOM 0 HA ALA A 94 8.741 -2.139 -5.052 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.432 -3.762 -5.785 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.893 -3.978 -6.651 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.263 -3.181 -7.459 1.00 0.34 H new ATOM 1470 N ILE A 95 10.422 -0.362 -4.590 1.00 0.25 N ATOM 1471 CA ILE A 95 11.485 0.566 -4.232 1.00 0.28 C ATOM 1472 C ILE A 95 12.654 -0.160 -3.578 1.00 0.26 C ATOM 1473 O ILE A 95 12.536 -0.678 -2.467 1.00 0.25 O ATOM 1474 CB ILE A 95 10.973 1.676 -3.293 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.821 2.432 -3.957 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.101 2.634 -2.931 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.454 1.954 -3.522 1.00 0.44 C ATOM 0 H ILE A 95 9.676 -0.437 -3.898 1.00 0.25 H new ATOM 0 HA ILE A 95 11.830 1.026 -5.158 1.00 0.28 H new ATOM 0 HB ILE A 95 10.609 1.216 -2.374 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.915 3.494 -3.729 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.906 2.329 -5.039 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.720 3.411 -2.268 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.897 2.085 -2.428 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.494 3.093 -3.838 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.686 2.535 -4.033 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.340 0.900 -3.774 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.349 2.082 -2.445 1.00 0.44 H new ATOM 1489 N THR A 96 13.780 -0.199 -4.286 1.00 0.29 N ATOM 1490 CA THR A 96 14.983 -0.865 -3.795 1.00 0.32 C ATOM 1491 C THR A 96 15.290 -0.462 -2.357 1.00 0.32 C ATOM 1492 O THR A 96 15.862 -1.241 -1.596 1.00 0.38 O ATOM 1493 CB THR A 96 16.176 -0.534 -4.695 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.908 -0.892 -6.038 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.453 -1.234 -4.282 1.00 0.43 C ATOM 0 H THR A 96 13.884 0.226 -5.207 1.00 0.29 H new ATOM 0 HA THR A 96 14.803 -1.940 -3.817 1.00 0.32 H new ATOM 0 HB THR A 96 16.320 0.542 -4.593 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.682 -0.671 -6.596 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.257 -0.955 -4.962 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.718 -0.939 -3.267 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.305 -2.313 -4.319 1.00 0.43 H new ATOM 1503 N CYS A 97 14.913 0.759 -1.988 1.00 0.32 N ATOM 1504 CA CYS A 97 15.158 1.254 -0.636 1.00 0.36 C ATOM 1505 C CYS A 97 16.616 1.022 -0.242 1.00 0.43 C ATOM 1506 O CYS A 97 16.953 -0.018 0.313 1.00 0.64 O ATOM 1507 CB CYS A 97 14.229 0.550 0.356 1.00 0.38 C ATOM 1508 SG CYS A 97 12.472 0.884 0.088 1.00 1.10 S ATOM 0 H CYS A 97 14.439 1.421 -2.602 1.00 0.32 H new ATOM 0 HA CYS A 97 14.956 2.325 -0.614 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.397 -0.525 0.294 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.496 0.857 1.367 1.00 0.38 H new ATOM 0 HG CYS A 97 12.093 0.343 -1.032 1.00 1.10 H new ATOM 1514 N ARG A 98 17.475 1.992 -0.545 1.00 0.53 N ATOM 1515 CA ARG A 98 18.901 1.878 -0.232 1.00 0.63 C ATOM 1516 C ARG A 98 19.476 3.215 0.226 1.00 0.80 C ATOM 1517 O ARG A 98 19.545 3.498 1.422 1.00 1.04 O ATOM 1518 CB ARG A 98 19.686 1.357 -1.448 1.00 0.68 C ATOM 1519 CG ARG A 98 19.019 1.629 -2.792 1.00 0.74 C ATOM 1520 CD ARG A 98 19.993 2.222 -3.797 1.00 0.92 C ATOM 1521 NE ARG A 98 20.862 1.204 -4.381 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.420 1.304 -5.587 1.00 2.31 C ATOM 1523 NH1 ARG A 98 21.204 2.374 -6.343 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.196 0.328 -6.038 1.00 2.68 N ATOM 0 H ARG A 98 17.212 2.863 -1.005 1.00 0.53 H new ATOM 0 HA ARG A 98 19.002 1.164 0.585 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.676 1.813 -1.449 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.830 0.282 -1.339 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.609 0.700 -3.188 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.182 2.313 -2.650 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.437 2.722 -4.590 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.602 2.981 -3.307 1.00 0.92 H new ATOM 0 HE ARG A 98 21.053 0.366 -3.833 1.00 1.64 H new ATOM 0 HH11 ARG A 98 20.607 3.127 -6.002 1.00 3.00 H new ATOM 0 HH12 ARG A 98 21.635 2.443 -7.265 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.365 -0.497 -5.462 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.624 0.402 -6.961 1.00 2.68 H new ATOM 1538 N ASP A 99 19.888 4.030 -0.733 1.00 0.92 N ATOM 1539 CA ASP A 99 20.459 5.338 -0.435 1.00 1.20 C ATOM 1540 C ASP A 99 19.439 6.459 -0.667 1.00 1.03 C ATOM 1541 O ASP A 99 19.756 7.637 -0.499 1.00 1.20 O ATOM 1542 CB ASP A 99 21.707 5.569 -1.288 1.00 1.61 C ATOM 1543 CG ASP A 99 21.369 5.905 -2.726 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.821 5.029 -3.427 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.653 7.043 -3.153 1.00 2.14 O ATOM 0 H ASP A 99 19.838 3.809 -1.728 1.00 0.92 H new ATOM 0 HA ASP A 99 20.737 5.355 0.619 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.294 6.380 -0.856 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.331 4.676 -1.263 1.00 1.61 H new ATOM 1550 N ASP A 100 18.214 6.084 -1.043 1.00 0.85 N ATOM 1551 CA ASP A 100 17.144 7.047 -1.285 1.00 0.92 C ATOM 1552 C ASP A 100 17.621 8.255 -2.074 1.00 1.22 C ATOM 1553 O ASP A 100 17.086 9.355 -1.934 1.00 1.38 O ATOM 1554 CB ASP A 100 16.541 7.500 0.037 1.00 0.87 C ATOM 1555 CG ASP A 100 15.028 7.402 0.054 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.364 8.368 -0.370 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.506 6.357 0.492 1.00 2.03 O ATOM 0 H ASP A 100 17.940 5.112 -1.187 1.00 0.85 H new ATOM 0 HA ASP A 100 16.386 6.543 -1.885 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.949 6.893 0.845 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.836 8.531 0.232 1.00 0.87 H new ATOM 1562 N VAL A 101 18.622 8.040 -2.900 1.00 1.43 N ATOM 1563 CA VAL A 101 19.178 9.103 -3.719 1.00 1.90 C ATOM 1564 C VAL A 101 20.004 8.520 -4.864 1.00 2.23 C ATOM 1565 O VAL A 101 20.940 9.146 -5.361 1.00 2.80 O ATOM 1566 CB VAL A 101 20.046 10.036 -2.860 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.131 9.236 -2.167 1.00 2.22 C ATOM 1568 CG2 VAL A 101 20.634 11.167 -3.690 1.00 2.67 C ATOM 0 H VAL A 101 19.072 7.133 -3.025 1.00 1.43 H new ATOM 0 HA VAL A 101 18.356 9.679 -4.144 1.00 1.90 H new ATOM 0 HB VAL A 101 19.415 10.496 -2.100 1.00 2.20 H new ATOM 0 HG11 VAL A 101 21.743 9.903 -1.560 1.00 2.22 H new ATOM 0 HG12 VAL A 101 20.674 8.480 -1.528 1.00 2.22 H new ATOM 0 HG13 VAL A 101 21.757 8.749 -2.914 1.00 2.22 H new ATOM 0 HG21 VAL A 101 21.242 11.808 -3.052 1.00 2.67 H new ATOM 0 HG22 VAL A 101 21.255 10.751 -4.484 1.00 2.67 H new ATOM 0 HG23 VAL A 101 19.827 11.753 -4.130 1.00 2.67 H new ATOM 1578 N GLU A 102 19.647 7.308 -5.278 1.00 1.99 N ATOM 1579 CA GLU A 102 20.353 6.635 -6.364 1.00 2.40 C ATOM 1580 C GLU A 102 19.374 5.944 -7.305 1.00 2.00 C ATOM 1581 O GLU A 102 19.507 6.024 -8.525 1.00 2.49 O ATOM 1582 CB GLU A 102 21.342 5.612 -5.802 1.00 3.22 C ATOM 1583 CG GLU A 102 22.723 6.186 -5.536 1.00 3.87 C ATOM 1584 CD GLU A 102 23.825 5.372 -6.182 1.00 4.18 C ATOM 1585 OE1 GLU A 102 23.560 4.215 -6.569 1.00 4.58 O ATOM 1586 OE2 GLU A 102 24.955 5.892 -6.300 1.00 4.47 O ATOM 0 H GLU A 102 18.875 6.773 -4.880 1.00 1.99 H new ATOM 0 HA GLU A 102 20.901 7.390 -6.928 1.00 2.40 H new ATOM 0 HB2 GLU A 102 20.942 5.204 -4.874 1.00 3.22 H new ATOM 0 HB3 GLU A 102 21.431 4.782 -6.503 1.00 3.22 H new ATOM 0 HG2 GLU A 102 22.765 7.209 -5.909 1.00 3.87 H new ATOM 0 HG3 GLU A 102 22.893 6.232 -4.460 1.00 3.87 H new ATOM 1593 N ALA A 103 18.390 5.265 -6.728 1.00 1.84 N ATOM 1594 CA ALA A 103 17.387 4.558 -7.516 1.00 2.56 C ATOM 1595 C ALA A 103 16.242 4.066 -6.638 1.00 3.21 C ATOM 1596 O ALA A 103 15.832 2.897 -6.800 1.00 3.72 O ATOM 1597 CB ALA A 103 18.025 3.392 -8.258 1.00 3.26 C ATOM 1598 OXT ALA A 103 15.765 4.853 -5.793 1.00 3.79 O ATOM 0 H ALA A 103 18.265 5.189 -5.719 1.00 1.84 H new ATOM 0 HA ALA A 103 16.975 5.257 -8.244 1.00 2.56 H new ATOM 0 HB1 ALA A 103 17.265 2.873 -8.842 1.00 3.26 H new ATOM 0 HB2 ALA A 103 18.802 3.766 -8.924 1.00 3.26 H new ATOM 0 HB3 ALA A 103 18.465 2.701 -7.539 1.00 3.26 H new TER 1604 ALA A 103