USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 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 102:sc= 0.165 USER MOD Set 1.2: A 72 TYR OH : rot 120:sc= 0.118 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0.0439 USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= -0.0493 F(o=-0.73,f=-0.0053) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -3.06! USER MOD Set 3.2: A 62 THR OG1 : rot -81:sc= 1.14 USER MOD Set 4.1: A 14 THR OG1 : rot 104:sc= 0.286 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 0 SER N :NH3+ -114:sc= 0.663 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0.199 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0115 F(o=-0.8,f=-0.012) USER MOD Single : A 16 HIS : no HD1:sc= -2.25 K(o=-2.3,f=-7.9!) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0036) USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= -0.0473 (180deg=-0.319) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 67:sc= 1.09 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc=-0.00703 X(o=-0.007,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 134:sc= -0.351 (180deg=-0.528) USER MOD Single : A 52 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.9!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0854 USER MOD Single : A 59 ASN : amide:sc= -1.52! C(o=-1.5!,f=-7.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -12.4! C(o=-14!,f=-12!) USER MOD Single : A 86 SER OG : rot -88:sc= 0.353 USER MOD Single : A 89 SER OG : rot 161:sc= -1.46! USER MOD Single : A 92 SER OG : rot -109:sc= -3.55! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -125:sc= -0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -23.467 -6.525 -2.533 1.00 2.05 N ATOM 2 CA SER A 0 -23.506 -5.266 -3.324 1.00 1.55 C ATOM 3 C SER A 0 -22.176 -5.019 -4.031 1.00 1.39 C ATOM 4 O SER A 0 -21.164 -5.639 -3.702 1.00 1.50 O ATOM 5 CB SER A 0 -23.826 -4.103 -2.382 1.00 2.08 C ATOM 6 OG SER A 0 -24.179 -4.571 -1.092 1.00 2.74 O ATOM 0 H1 SER A 0 -24.128 -7.214 -2.945 1.00 2.05 H new ATOM 0 H2 SER A 0 -22.504 -6.916 -2.551 1.00 2.05 H new ATOM 0 H3 SER A 0 -23.742 -6.326 -1.550 1.00 2.05 H new ATOM 0 HA SER A 0 -24.277 -5.350 -4.090 1.00 1.55 H new ATOM 0 HB2 SER A 0 -22.962 -3.443 -2.308 1.00 2.08 H new ATOM 0 HB3 SER A 0 -24.644 -3.512 -2.794 1.00 2.08 H new ATOM 0 HG SER A 0 -24.377 -3.808 -0.510 1.00 2.74 H new ATOM 12 N PRO A 1 -22.159 -4.103 -5.015 1.00 1.23 N ATOM 13 CA PRO A 1 -20.948 -3.773 -5.767 1.00 1.19 C ATOM 14 C PRO A 1 -19.959 -2.978 -4.927 1.00 1.24 C ATOM 15 O PRO A 1 -20.331 -2.014 -4.257 1.00 2.06 O ATOM 16 CB PRO A 1 -21.460 -2.918 -6.936 1.00 1.18 C ATOM 17 CG PRO A 1 -22.949 -3.029 -6.899 1.00 1.26 C ATOM 18 CD PRO A 1 -23.307 -3.318 -5.473 1.00 1.24 C ATOM 0 HA PRO A 1 -20.413 -4.667 -6.086 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -21.142 -1.881 -6.830 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.064 -3.277 -7.886 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -23.418 -2.106 -7.239 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -23.297 -3.825 -7.558 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.432 -2.404 -4.892 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -24.239 -3.877 -5.393 1.00 1.24 H new ATOM 26 N ILE A 2 -18.697 -3.387 -4.963 1.00 0.68 N ATOM 27 CA ILE A 2 -17.659 -2.710 -4.201 1.00 0.61 C ATOM 28 C ILE A 2 -16.446 -2.400 -5.071 1.00 0.57 C ATOM 29 O ILE A 2 -16.066 -3.195 -5.930 1.00 0.63 O ATOM 30 CB ILE A 2 -17.216 -3.552 -2.988 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.314 -2.719 -2.069 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.509 -4.821 -3.452 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.559 -3.534 -1.037 1.00 0.56 C ATOM 0 H ILE A 2 -18.369 -4.183 -5.511 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.087 -1.773 -3.844 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.098 -3.849 -2.420 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.596 -2.173 -2.681 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.924 -1.977 -1.554 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.202 -5.405 -2.584 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.189 -5.413 -4.065 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.630 -4.554 -4.039 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.945 -2.871 -0.428 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.269 -4.060 -0.398 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.920 -4.258 -1.542 1.00 0.56 H new ATOM 45 N ASP A 3 -15.843 -1.240 -4.840 1.00 0.55 N ATOM 46 CA ASP A 3 -14.669 -0.823 -5.601 1.00 0.54 C ATOM 47 C ASP A 3 -13.494 -0.561 -4.661 1.00 0.47 C ATOM 48 O ASP A 3 -13.635 0.158 -3.672 1.00 0.49 O ATOM 49 CB ASP A 3 -14.983 0.432 -6.420 1.00 0.61 C ATOM 50 CG ASP A 3 -16.369 0.979 -6.136 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.505 1.800 -5.204 1.00 1.64 O ATOM 52 OD2 ASP A 3 -17.320 0.588 -6.845 1.00 2.00 O ATOM 0 H ASP A 3 -16.147 -0.571 -4.132 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.396 -1.626 -6.286 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.241 1.200 -6.201 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.898 0.200 -7.482 1.00 0.61 H new ATOM 57 N PRO A 4 -12.316 -1.143 -4.950 1.00 0.44 N ATOM 58 CA PRO A 4 -11.129 -0.967 -4.115 1.00 0.41 C ATOM 59 C PRO A 4 -10.376 0.324 -4.422 1.00 0.38 C ATOM 60 O PRO A 4 -10.453 0.853 -5.530 1.00 0.43 O ATOM 61 CB PRO A 4 -10.282 -2.181 -4.475 1.00 0.45 C ATOM 62 CG PRO A 4 -10.604 -2.440 -5.907 1.00 0.50 C ATOM 63 CD PRO A 4 -12.044 -2.023 -6.103 1.00 0.50 C ATOM 0 HA PRO A 4 -11.378 -0.892 -3.057 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.220 -1.981 -4.336 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.529 -3.039 -3.850 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.943 -1.873 -6.562 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.468 -3.494 -6.151 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.183 -1.498 -7.048 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.712 -2.884 -6.115 1.00 0.50 H new ATOM 71 N PRO A 5 -9.636 0.845 -3.429 1.00 0.37 N ATOM 72 CA PRO A 5 -8.860 2.080 -3.570 1.00 0.39 C ATOM 73 C PRO A 5 -8.048 2.143 -4.857 1.00 0.38 C ATOM 74 O PRO A 5 -7.655 1.118 -5.413 1.00 0.47 O ATOM 75 CB PRO A 5 -7.951 2.047 -2.349 1.00 0.46 C ATOM 76 CG PRO A 5 -8.767 1.345 -1.328 1.00 0.71 C ATOM 77 CD PRO A 5 -9.499 0.271 -2.076 1.00 0.43 C ATOM 0 HA PRO A 5 -9.502 2.959 -3.627 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.022 1.516 -2.555 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.679 3.051 -2.024 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.138 0.920 -0.546 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.462 2.029 -0.842 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.940 -0.665 -2.089 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.469 0.057 -1.628 1.00 0.43 H new ATOM 85 N GLY A 6 -7.810 3.366 -5.323 1.00 0.37 N ATOM 86 CA GLY A 6 -7.051 3.573 -6.546 1.00 0.39 C ATOM 87 C GLY A 6 -5.676 2.938 -6.507 1.00 0.42 C ATOM 88 O GLY A 6 -5.352 2.192 -5.581 1.00 0.66 O ATOM 0 H GLY A 6 -8.131 4.223 -4.873 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.610 3.163 -7.387 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.945 4.643 -6.724 1.00 0.39 H new ATOM 92 N LYS A 7 -4.864 3.238 -7.516 1.00 0.41 N ATOM 93 CA LYS A 7 -3.511 2.700 -7.603 1.00 0.44 C ATOM 94 C LYS A 7 -2.577 3.443 -6.644 1.00 0.37 C ATOM 95 O LYS A 7 -2.541 4.673 -6.645 1.00 0.42 O ATOM 96 CB LYS A 7 -2.988 2.818 -9.035 1.00 0.54 C ATOM 97 CG LYS A 7 -1.600 2.228 -9.227 1.00 0.64 C ATOM 98 CD LYS A 7 -0.728 3.124 -10.090 1.00 1.01 C ATOM 99 CE LYS A 7 0.748 2.909 -9.800 1.00 0.95 C ATOM 100 NZ LYS A 7 1.587 3.113 -11.012 1.00 1.52 N ATOM 0 H LYS A 7 -5.121 3.853 -8.288 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.539 1.648 -7.320 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.683 2.317 -9.709 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.969 3.870 -9.320 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.127 2.085 -8.256 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.682 1.244 -9.689 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.926 2.922 -11.143 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.987 4.168 -9.911 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.068 3.596 -9.017 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.900 1.899 -9.419 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.587 2.957 -10.772 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.299 2.440 -11.751 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.462 4.085 -11.361 1.00 1.52 H new ATOM 114 N PRO A 8 -1.810 2.718 -5.806 1.00 0.34 N ATOM 115 CA PRO A 8 -0.889 3.335 -4.842 1.00 0.32 C ATOM 116 C PRO A 8 0.412 3.813 -5.485 1.00 0.33 C ATOM 117 O PRO A 8 1.084 3.056 -6.185 1.00 0.44 O ATOM 118 CB PRO A 8 -0.606 2.202 -3.838 1.00 0.39 C ATOM 119 CG PRO A 8 -1.504 1.071 -4.236 1.00 0.44 C ATOM 120 CD PRO A 8 -1.767 1.253 -5.700 1.00 0.41 C ATOM 0 HA PRO A 8 -1.322 4.228 -4.391 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.441 1.901 -3.873 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.811 2.524 -2.817 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.031 0.109 -4.041 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.433 1.091 -3.667 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.979 0.819 -6.316 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.704 0.791 -6.010 1.00 0.41 H new ATOM 128 N VAL A 9 0.767 5.076 -5.237 1.00 0.34 N ATOM 129 CA VAL A 9 1.993 5.650 -5.789 1.00 0.38 C ATOM 130 C VAL A 9 2.815 6.349 -4.699 1.00 0.34 C ATOM 131 O VAL A 9 2.363 7.328 -4.105 1.00 0.35 O ATOM 132 CB VAL A 9 1.685 6.653 -6.921 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.003 7.900 -6.381 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.958 7.016 -7.671 1.00 0.53 C ATOM 0 H VAL A 9 0.224 5.718 -4.659 1.00 0.34 H new ATOM 0 HA VAL A 9 2.574 4.825 -6.200 1.00 0.38 H new ATOM 0 HB VAL A 9 0.997 6.174 -7.618 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.799 8.587 -7.202 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.066 7.622 -5.899 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.655 8.386 -5.655 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.723 7.724 -8.466 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.670 7.468 -6.981 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.394 6.116 -8.104 1.00 0.53 H new ATOM 144 N PRO A 10 4.037 5.850 -4.410 1.00 0.34 N ATOM 145 CA PRO A 10 4.905 6.428 -3.381 1.00 0.32 C ATOM 146 C PRO A 10 5.332 7.857 -3.677 1.00 0.37 C ATOM 147 O PRO A 10 5.846 8.156 -4.754 1.00 0.64 O ATOM 148 CB PRO A 10 6.131 5.513 -3.358 1.00 0.38 C ATOM 149 CG PRO A 10 5.714 4.271 -4.064 1.00 0.39 C ATOM 150 CD PRO A 10 4.657 4.683 -5.051 1.00 0.42 C ATOM 0 HA PRO A 10 4.377 6.485 -2.429 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.980 5.982 -3.856 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.441 5.298 -2.335 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.561 3.809 -4.571 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.324 3.536 -3.360 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.087 4.937 -6.020 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.934 3.886 -5.223 1.00 0.42 H new ATOM 158 N LEU A 11 5.131 8.731 -2.699 1.00 0.34 N ATOM 159 CA LEU A 11 5.508 10.130 -2.830 1.00 0.43 C ATOM 160 C LEU A 11 6.905 10.341 -2.259 1.00 0.43 C ATOM 161 O LEU A 11 7.634 11.241 -2.677 1.00 0.57 O ATOM 162 CB LEU A 11 4.508 11.029 -2.100 1.00 0.56 C ATOM 163 CG LEU A 11 3.036 10.738 -2.398 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.376 10.067 -1.204 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.298 12.016 -2.766 1.00 1.64 C ATOM 0 H LEU A 11 4.707 8.493 -1.803 1.00 0.34 H new ATOM 0 HA LEU A 11 5.503 10.395 -3.887 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.672 10.931 -1.027 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.717 12.066 -2.361 1.00 0.56 H new ATOM 0 HG LEU A 11 2.987 10.059 -3.249 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.329 9.867 -1.432 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.886 9.129 -0.986 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.439 10.724 -0.337 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.253 11.786 -2.974 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.356 12.721 -1.937 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.755 12.458 -3.651 1.00 1.64 H new ATOM 177 N ASN A 12 7.269 9.497 -1.297 1.00 0.34 N ATOM 178 CA ASN A 12 8.576 9.574 -0.659 1.00 0.36 C ATOM 179 C ASN A 12 9.017 8.193 -0.194 1.00 0.37 C ATOM 180 O ASN A 12 8.185 7.341 0.114 1.00 0.58 O ATOM 181 CB ASN A 12 8.531 10.536 0.526 1.00 0.42 C ATOM 182 CG ASN A 12 9.870 11.198 0.785 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.813 10.437 1.330 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.056 12.380 0.497 1.00 0.71 N flip ATOM 0 H ASN A 12 6.673 8.749 -0.942 1.00 0.34 H new ATOM 0 HA ASN A 12 9.297 9.947 -1.387 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.780 11.303 0.339 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.218 9.994 1.419 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.304 12.928 0.080 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.963 12.812 0.676 1.00 0.71 H new ATOM 191 N ILE A 13 10.324 7.970 -0.150 1.00 0.38 N ATOM 192 CA ILE A 13 10.852 6.682 0.276 1.00 0.43 C ATOM 193 C ILE A 13 12.205 6.832 0.962 1.00 0.53 C ATOM 194 O ILE A 13 13.203 7.179 0.330 1.00 0.75 O ATOM 195 CB ILE A 13 10.983 5.715 -0.913 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.666 6.433 -2.105 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.605 5.152 -1.263 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.976 6.290 -3.451 1.00 0.96 C ATOM 0 H ILE A 13 11.033 8.659 -0.402 1.00 0.38 H new ATOM 0 HA ILE A 13 10.142 6.269 0.993 1.00 0.43 H new ATOM 0 HB ILE A 13 11.620 4.870 -0.651 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.743 7.494 -1.869 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.683 6.053 -2.198 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.695 4.466 -2.106 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.201 4.619 -0.403 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.935 5.969 -1.531 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.541 6.832 -4.209 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.923 5.236 -3.723 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.968 6.699 -3.388 1.00 0.96 H new ATOM 210 N THR A 14 12.223 6.567 2.264 1.00 0.59 N ATOM 211 CA THR A 14 13.441 6.667 3.056 1.00 0.71 C ATOM 212 C THR A 14 13.978 5.291 3.413 1.00 0.79 C ATOM 213 O THR A 14 14.171 4.984 4.586 1.00 1.46 O ATOM 214 CB THR A 14 13.184 7.475 4.329 1.00 0.75 C ATOM 215 OG1 THR A 14 11.977 8.208 4.220 1.00 0.69 O ATOM 216 CG2 THR A 14 14.291 8.457 4.648 1.00 0.94 C ATOM 0 H THR A 14 11.401 6.279 2.795 1.00 0.59 H new ATOM 0 HA THR A 14 14.190 7.180 2.454 1.00 0.71 H new ATOM 0 HB THR A 14 13.130 6.741 5.133 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.280 7.771 4.752 1.00 0.69 H new ATOM 0 HG21 THR A 14 14.046 8.997 5.562 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.228 7.917 4.786 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.398 9.165 3.826 1.00 0.94 H new ATOM 224 N ARG A 15 14.229 4.483 2.382 1.00 0.66 N ATOM 225 CA ARG A 15 14.768 3.135 2.546 1.00 0.67 C ATOM 226 C ARG A 15 13.908 2.258 3.459 1.00 0.71 C ATOM 227 O ARG A 15 13.270 1.310 3.002 1.00 1.19 O ATOM 228 CB ARG A 15 16.193 3.220 3.088 1.00 0.80 C ATOM 229 CG ARG A 15 17.025 4.292 2.410 1.00 0.96 C ATOM 230 CD ARG A 15 17.665 5.231 3.422 1.00 1.13 C ATOM 231 NE ARG A 15 18.232 4.512 4.560 1.00 1.43 N ATOM 232 CZ ARG A 15 18.897 5.106 5.547 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.074 6.420 5.532 1.00 1.90 N ATOM 234 NH2 ARG A 15 19.385 4.386 6.548 1.00 2.42 N ATOM 0 H ARG A 15 14.064 4.746 1.410 1.00 0.66 H new ATOM 0 HA ARG A 15 14.765 2.661 1.564 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.157 3.420 4.159 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.682 2.254 2.960 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.802 3.822 1.807 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.396 4.865 1.729 1.00 0.96 H new ATOM 0 HD2 ARG A 15 18.449 5.810 2.933 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.919 5.941 3.778 1.00 1.13 H new ATOM 0 HE ARG A 15 18.112 3.500 4.600 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.700 6.976 4.763 1.00 1.90 H new ATOM 0 HH12 ARG A 15 19.584 6.875 6.289 1.00 1.90 H new ATOM 0 HH21 ARG A 15 19.251 3.375 6.562 1.00 2.42 H new ATOM 0 HH22 ARG A 15 19.895 4.843 7.304 1.00 2.42 H new ATOM 248 N HIS A 16 13.906 2.572 4.747 1.00 0.50 N ATOM 249 CA HIS A 16 13.139 1.806 5.724 1.00 0.54 C ATOM 250 C HIS A 16 11.686 2.263 5.788 1.00 0.57 C ATOM 251 O HIS A 16 10.821 1.527 6.260 1.00 0.97 O ATOM 252 CB HIS A 16 13.778 1.927 7.108 1.00 0.67 C ATOM 253 CG HIS A 16 15.106 1.245 7.219 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.452 0.398 8.249 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.185 1.299 6.398 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.704 -0.027 8.027 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.194 0.490 6.917 1.00 0.86 N ATOM 0 H HIS A 16 14.428 3.354 5.142 1.00 0.50 H new ATOM 0 HA HIS A 16 13.150 0.764 5.404 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.900 2.983 7.351 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.100 1.505 7.850 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.251 1.877 5.488 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.242 -0.705 8.673 1.00 1.02 H new ATOM 0 HE2 HIS A 16 18.120 0.331 6.520 1.00 0.86 H new ATOM 265 N THR A 17 11.418 3.478 5.321 1.00 0.43 N ATOM 266 CA THR A 17 10.058 4.006 5.348 1.00 0.42 C ATOM 267 C THR A 17 9.607 4.475 3.970 1.00 0.38 C ATOM 268 O THR A 17 10.118 5.460 3.441 1.00 0.56 O ATOM 269 CB THR A 17 9.961 5.155 6.352 1.00 0.56 C ATOM 270 OG1 THR A 17 10.913 6.161 6.058 1.00 0.65 O ATOM 271 CG2 THR A 17 10.186 4.708 7.781 1.00 0.68 C ATOM 0 H THR A 17 12.114 4.109 4.924 1.00 0.43 H new ATOM 0 HA THR A 17 9.395 3.198 5.656 1.00 0.42 H new ATOM 0 HB THR A 17 8.946 5.541 6.261 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.833 6.888 6.711 1.00 0.65 H new ATOM 0 HG21 THR A 17 10.105 5.566 8.448 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.436 3.966 8.052 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.180 4.270 7.873 1.00 0.68 H new ATOM 279 N VAL A 18 8.638 3.767 3.399 1.00 0.27 N ATOM 280 CA VAL A 18 8.109 4.113 2.087 1.00 0.33 C ATOM 281 C VAL A 18 6.720 4.736 2.218 1.00 0.32 C ATOM 282 O VAL A 18 5.799 4.117 2.752 1.00 0.51 O ATOM 283 CB VAL A 18 8.044 2.878 1.169 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.449 3.246 -0.181 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.429 2.262 1.003 1.00 0.46 C ATOM 0 H VAL A 18 8.203 2.949 3.826 1.00 0.27 H new ATOM 0 HA VAL A 18 8.786 4.840 1.638 1.00 0.33 H new ATOM 0 HB VAL A 18 7.395 2.136 1.634 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.411 2.361 -0.816 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.440 3.635 -0.040 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.068 4.007 -0.656 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.364 1.391 0.351 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.103 2.996 0.561 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.811 1.958 1.978 1.00 0.46 H new ATOM 295 N THR A 19 6.583 5.969 1.740 1.00 0.27 N ATOM 296 CA THR A 19 5.316 6.692 1.815 1.00 0.24 C ATOM 297 C THR A 19 4.605 6.735 0.463 1.00 0.22 C ATOM 298 O THR A 19 5.194 7.143 -0.540 1.00 0.34 O ATOM 299 CB THR A 19 5.572 8.122 2.306 1.00 0.28 C ATOM 300 OG1 THR A 19 5.949 8.123 3.671 1.00 0.35 O ATOM 301 CG2 THR A 19 4.374 9.040 2.162 1.00 0.32 C ATOM 0 H THR A 19 7.337 6.491 1.294 1.00 0.27 H new ATOM 0 HA THR A 19 4.669 6.163 2.515 1.00 0.24 H new ATOM 0 HB THR A 19 6.373 8.500 1.670 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.109 9.044 3.965 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.631 10.033 2.530 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.089 9.104 1.112 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.540 8.643 2.741 1.00 0.32 H new ATOM 309 N LEU A 20 3.328 6.335 0.448 1.00 0.28 N ATOM 310 CA LEU A 20 2.540 6.353 -0.779 1.00 0.26 C ATOM 311 C LEU A 20 1.132 6.880 -0.539 1.00 0.28 C ATOM 312 O LEU A 20 0.632 6.905 0.589 1.00 0.40 O ATOM 313 CB LEU A 20 2.472 4.969 -1.442 1.00 0.33 C ATOM 314 CG LEU A 20 2.753 3.763 -0.542 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.191 3.777 -0.065 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.790 3.720 0.634 1.00 0.52 C ATOM 0 H LEU A 20 2.825 5.998 1.269 1.00 0.28 H new ATOM 0 HA LEU A 20 3.054 7.033 -1.459 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.479 4.847 -1.875 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.184 4.951 -2.267 1.00 0.33 H new ATOM 0 HG LEU A 20 2.597 2.859 -1.130 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.371 2.912 0.573 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.860 3.739 -0.925 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.378 4.690 0.500 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.013 2.853 1.256 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.898 4.629 1.226 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.767 3.647 0.264 1.00 0.52 H new ATOM 328 N LYS A 21 0.509 7.305 -1.632 1.00 0.25 N ATOM 329 CA LYS A 21 -0.842 7.848 -1.603 1.00 0.31 C ATOM 330 C LYS A 21 -1.608 7.402 -2.849 1.00 0.31 C ATOM 331 O LYS A 21 -1.057 7.373 -3.952 1.00 0.51 O ATOM 332 CB LYS A 21 -0.786 9.384 -1.515 1.00 0.40 C ATOM 333 CG LYS A 21 -2.067 10.094 -1.936 1.00 0.81 C ATOM 334 CD LYS A 21 -3.202 9.824 -0.965 1.00 0.95 C ATOM 335 CE LYS A 21 -4.360 10.787 -1.181 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.292 11.951 -0.256 1.00 1.84 N ATOM 0 H LYS A 21 0.927 7.283 -2.562 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.365 7.471 -0.724 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.550 9.667 -0.489 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.033 9.740 -2.140 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.886 11.167 -1.995 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.355 9.764 -2.934 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.552 8.799 -1.088 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.837 9.916 0.058 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.351 11.141 -2.212 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -5.303 10.260 -1.034 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -5.088 12.592 -0.446 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.344 11.616 0.727 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.396 12.459 -0.402 1.00 1.84 H new ATOM 350 N TRP A 22 -2.875 7.049 -2.666 1.00 0.25 N ATOM 351 CA TRP A 22 -3.709 6.600 -3.771 1.00 0.24 C ATOM 352 C TRP A 22 -5.006 7.399 -3.855 1.00 0.24 C ATOM 353 O TRP A 22 -5.210 8.359 -3.110 1.00 0.40 O ATOM 354 CB TRP A 22 -4.026 5.122 -3.607 1.00 0.27 C ATOM 355 CG TRP A 22 -4.537 4.767 -2.249 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.829 4.519 -1.909 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.768 4.616 -1.050 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.916 4.217 -0.572 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.665 4.271 -0.024 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.410 4.735 -0.745 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.250 4.045 1.285 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.998 4.511 0.556 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.917 4.168 1.558 1.00 0.32 C ATOM 0 H TRP A 22 -3.346 7.066 -1.762 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.156 6.759 -4.696 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.767 4.833 -4.352 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.126 4.541 -3.811 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.666 4.554 -2.591 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.774 3.990 -0.070 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.695 4.997 -1.511 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.957 3.782 2.058 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.951 4.602 0.804 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.564 3.998 2.565 1.00 0.32 H new ATOM 374 N ALA A 23 -5.882 6.990 -4.770 1.00 0.31 N ATOM 375 CA ALA A 23 -7.162 7.658 -4.963 1.00 0.33 C ATOM 376 C ALA A 23 -8.265 7.000 -4.140 1.00 0.36 C ATOM 377 O ALA A 23 -8.064 5.942 -3.545 1.00 0.83 O ATOM 378 CB ALA A 23 -7.537 7.652 -6.438 1.00 0.36 C ATOM 0 H ALA A 23 -5.726 6.196 -5.391 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.057 8.688 -4.621 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.495 8.154 -6.572 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.771 8.175 -7.010 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.614 6.623 -6.790 1.00 0.36 H new ATOM 384 N LYS A 24 -9.430 7.637 -4.116 1.00 0.59 N ATOM 385 CA LYS A 24 -10.572 7.121 -3.373 1.00 0.61 C ATOM 386 C LYS A 24 -11.715 6.774 -4.338 1.00 0.59 C ATOM 387 O LYS A 24 -12.154 7.622 -5.113 1.00 0.69 O ATOM 388 CB LYS A 24 -11.012 8.159 -2.312 1.00 0.74 C ATOM 389 CG LYS A 24 -12.520 8.307 -2.114 1.00 1.21 C ATOM 390 CD LYS A 24 -13.167 6.984 -1.736 1.00 1.22 C ATOM 391 CE LYS A 24 -14.378 7.194 -0.841 1.00 1.55 C ATOM 392 NZ LYS A 24 -13.991 7.685 0.509 1.00 2.11 N ATOM 0 H LYS A 24 -9.608 8.515 -4.604 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.291 6.205 -2.853 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.564 7.887 -1.356 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.604 9.131 -2.590 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.715 9.044 -1.335 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.973 8.685 -3.031 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.468 6.453 -2.639 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -12.439 6.355 -1.224 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.055 7.910 -1.308 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.924 6.256 -0.743 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -14.748 7.468 1.188 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -13.112 7.217 0.810 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -13.842 8.714 0.475 1.00 2.11 H new ATOM 406 N PRO A 25 -12.213 5.523 -4.307 1.00 0.56 N ATOM 407 CA PRO A 25 -13.301 5.082 -5.183 1.00 0.63 C ATOM 408 C PRO A 25 -14.459 6.067 -5.223 1.00 0.75 C ATOM 409 O PRO A 25 -14.473 7.064 -4.500 1.00 0.89 O ATOM 410 CB PRO A 25 -13.759 3.752 -4.560 1.00 0.63 C ATOM 411 CG PRO A 25 -13.044 3.655 -3.254 1.00 0.71 C ATOM 412 CD PRO A 25 -11.775 4.429 -3.436 1.00 0.58 C ATOM 0 HA PRO A 25 -12.966 4.993 -6.216 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.840 3.737 -4.418 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.511 2.910 -5.206 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.645 4.071 -2.445 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.837 2.616 -2.996 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.380 4.794 -2.488 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.992 3.827 -3.898 1.00 0.58 H new ATOM 420 N GLU A 26 -15.432 5.773 -6.076 1.00 0.85 N ATOM 421 CA GLU A 26 -16.611 6.616 -6.225 1.00 1.05 C ATOM 422 C GLU A 26 -17.891 5.788 -6.103 1.00 0.95 C ATOM 423 O GLU A 26 -18.992 6.315 -6.271 1.00 1.12 O ATOM 424 CB GLU A 26 -16.603 7.341 -7.581 1.00 1.29 C ATOM 425 CG GLU A 26 -15.290 7.244 -8.350 1.00 1.83 C ATOM 426 CD GLU A 26 -15.361 7.907 -9.712 1.00 2.18 C ATOM 427 OE1 GLU A 26 -16.110 8.897 -9.853 1.00 2.77 O ATOM 428 OE2 GLU A 26 -14.667 7.437 -10.637 1.00 2.53 O ATOM 0 H GLU A 26 -15.427 4.951 -6.679 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.585 7.357 -5.426 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -17.402 6.932 -8.200 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.834 8.393 -7.416 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.496 7.708 -7.765 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -15.023 6.195 -8.474 1.00 1.83 H new ATOM 435 N TYR A 27 -17.749 4.491 -5.820 1.00 0.85 N ATOM 436 CA TYR A 27 -18.904 3.614 -5.692 1.00 0.84 C ATOM 437 C TYR A 27 -18.954 2.946 -4.313 1.00 0.86 C ATOM 438 O TYR A 27 -19.775 3.317 -3.474 1.00 1.37 O ATOM 439 CB TYR A 27 -18.888 2.562 -6.804 1.00 0.86 C ATOM 440 CG TYR A 27 -20.265 2.077 -7.199 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.944 1.137 -6.432 1.00 0.93 C ATOM 442 CD2 TYR A 27 -20.888 2.561 -8.340 1.00 1.15 C ATOM 443 CE1 TYR A 27 -22.201 0.696 -6.797 1.00 1.04 C ATOM 444 CE2 TYR A 27 -22.142 2.127 -8.713 1.00 1.28 C ATOM 445 CZ TYR A 27 -22.798 1.178 -7.912 1.00 1.19 C ATOM 446 OH TYR A 27 -24.048 0.759 -8.304 1.00 1.35 O ATOM 0 H TYR A 27 -16.850 4.032 -5.677 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.804 4.221 -5.791 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.394 2.980 -7.681 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.292 1.710 -6.478 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.482 0.746 -5.538 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -20.380 3.294 -8.949 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -22.710 -0.037 -6.189 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -22.612 2.510 -9.606 1.00 1.28 H new ATOM 0 HH TYR A 27 -24.304 1.222 -9.129 1.00 1.35 H new ATOM 456 N THR A 28 -18.079 1.961 -4.080 1.00 0.65 N ATOM 457 CA THR A 28 -18.037 1.249 -2.797 1.00 0.61 C ATOM 458 C THR A 28 -19.446 0.958 -2.278 1.00 0.66 C ATOM 459 O THR A 28 -19.799 1.359 -1.169 1.00 0.81 O ATOM 460 CB THR A 28 -17.265 2.067 -1.761 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.045 3.155 -1.300 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.962 2.628 -2.291 1.00 0.79 C ATOM 0 H THR A 28 -17.392 1.639 -4.761 1.00 0.65 H new ATOM 0 HA THR A 28 -17.528 0.299 -2.960 1.00 0.61 H new ATOM 0 HB THR A 28 -17.040 1.371 -0.953 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.814 2.816 -0.796 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.465 3.197 -1.506 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.317 1.810 -2.610 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.166 3.281 -3.139 1.00 0.79 H new ATOM 470 N GLY A 29 -20.241 0.262 -3.097 1.00 0.75 N ATOM 471 CA GLY A 29 -21.615 -0.084 -2.736 1.00 0.80 C ATOM 472 C GLY A 29 -22.305 0.979 -1.895 1.00 0.85 C ATOM 473 O GLY A 29 -22.734 2.011 -2.410 1.00 1.01 O ATOM 0 H GLY A 29 -19.953 -0.073 -4.017 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.192 -0.247 -3.646 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.612 -1.026 -2.187 1.00 0.80 H new ATOM 477 N GLY A 30 -22.397 0.724 -0.595 1.00 0.83 N ATOM 478 CA GLY A 30 -23.019 1.668 0.316 1.00 0.89 C ATOM 479 C GLY A 30 -22.171 1.865 1.554 1.00 0.85 C ATOM 480 O GLY A 30 -22.682 2.148 2.638 1.00 0.98 O ATOM 0 H GLY A 30 -22.049 -0.127 -0.152 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.162 2.624 -0.187 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.007 1.307 0.601 1.00 0.89 H new ATOM 484 N PHE A 31 -20.866 1.695 1.382 1.00 0.73 N ATOM 485 CA PHE A 31 -19.908 1.828 2.471 1.00 0.69 C ATOM 486 C PHE A 31 -19.044 3.070 2.294 1.00 0.67 C ATOM 487 O PHE A 31 -19.240 3.851 1.361 1.00 0.74 O ATOM 488 CB PHE A 31 -18.998 0.595 2.527 1.00 0.63 C ATOM 489 CG PHE A 31 -19.557 -0.617 1.828 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.487 -1.437 2.455 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.144 -0.941 0.548 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.992 -2.551 1.812 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.646 -2.055 -0.098 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.606 -2.848 0.543 1.00 0.83 C ATOM 0 H PHE A 31 -20.443 1.461 0.484 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.472 1.918 3.399 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.036 0.847 2.081 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.809 0.344 3.571 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.819 -1.201 3.455 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.420 -0.315 0.047 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.698 -3.190 2.321 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.301 -2.312 -1.089 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.039 -3.694 0.030 1.00 0.83 H new ATOM 504 N LYS A 32 -18.081 3.243 3.195 1.00 0.68 N ATOM 505 CA LYS A 32 -17.176 4.387 3.140 1.00 0.72 C ATOM 506 C LYS A 32 -15.722 3.992 3.437 1.00 0.66 C ATOM 507 O LYS A 32 -14.840 4.850 3.448 1.00 0.74 O ATOM 508 CB LYS A 32 -17.626 5.462 4.129 1.00 0.86 C ATOM 509 CG LYS A 32 -16.737 6.694 4.133 1.00 1.38 C ATOM 510 CD LYS A 32 -15.904 6.779 5.401 1.00 1.38 C ATOM 511 CE LYS A 32 -14.485 7.236 5.105 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.321 8.703 5.289 1.00 2.26 N ATOM 0 H LYS A 32 -17.907 2.605 3.972 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.214 4.778 2.123 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.646 5.761 3.889 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.647 5.036 5.132 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.078 6.671 3.265 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.353 7.588 4.041 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.372 7.472 6.100 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -15.879 5.804 5.888 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -13.791 6.709 5.759 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.224 6.968 4.081 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.339 8.972 5.077 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.965 9.208 4.647 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.545 8.957 6.273 1.00 2.26 H new ATOM 526 N ILE A 33 -15.475 2.702 3.677 1.00 0.67 N ATOM 527 CA ILE A 33 -14.130 2.216 3.976 1.00 0.66 C ATOM 528 C ILE A 33 -13.548 2.926 5.195 1.00 0.80 C ATOM 529 O ILE A 33 -13.347 4.140 5.187 1.00 1.71 O ATOM 530 CB ILE A 33 -13.185 2.392 2.775 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.844 1.846 1.505 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.861 1.691 3.045 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.904 1.732 0.324 1.00 0.91 C ATOM 0 H ILE A 33 -16.191 1.976 3.670 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.218 1.152 4.194 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.986 3.454 2.628 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.263 0.863 1.719 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.677 2.495 1.232 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.199 1.821 2.189 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.396 2.121 3.932 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.039 0.628 3.208 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.446 1.338 -0.536 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.504 2.716 0.081 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.084 1.059 0.575 1.00 0.91 H new ATOM 545 N THR A 34 -13.291 2.163 6.250 1.00 0.72 N ATOM 546 CA THR A 34 -12.751 2.727 7.482 1.00 0.73 C ATOM 547 C THR A 34 -11.255 2.449 7.645 1.00 0.59 C ATOM 548 O THR A 34 -10.696 2.686 8.716 1.00 0.76 O ATOM 549 CB THR A 34 -13.514 2.173 8.689 1.00 0.99 C ATOM 550 OG1 THR A 34 -12.951 0.946 9.117 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.987 1.935 8.419 1.00 1.15 C ATOM 0 H THR A 34 -13.447 1.155 6.278 1.00 0.72 H new ATOM 0 HA THR A 34 -12.878 3.808 7.424 1.00 0.73 H new ATOM 0 HB THR A 34 -13.426 2.940 9.459 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.451 0.609 9.890 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.463 1.543 9.318 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.462 2.875 8.138 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.097 1.216 7.607 1.00 1.15 H new ATOM 559 N SER A 35 -10.604 1.954 6.594 1.00 0.49 N ATOM 560 CA SER A 35 -9.171 1.664 6.666 1.00 0.47 C ATOM 561 C SER A 35 -8.632 1.129 5.344 1.00 0.45 C ATOM 562 O SER A 35 -9.376 0.581 4.533 1.00 0.72 O ATOM 563 CB SER A 35 -8.892 0.645 7.772 1.00 0.64 C ATOM 564 OG SER A 35 -7.500 0.497 7.991 1.00 1.58 O ATOM 0 H SER A 35 -11.037 1.747 5.694 1.00 0.49 H new ATOM 0 HA SER A 35 -8.663 2.603 6.887 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.376 0.964 8.695 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.325 -0.318 7.501 1.00 0.64 H new ATOM 0 HG SER A 35 -7.349 -0.158 8.704 1.00 1.58 H new ATOM 570 N TYR A 36 -7.323 1.285 5.143 1.00 0.27 N ATOM 571 CA TYR A 36 -6.669 0.811 3.931 1.00 0.28 C ATOM 572 C TYR A 36 -5.491 -0.092 4.269 1.00 0.33 C ATOM 573 O TYR A 36 -4.486 0.356 4.820 1.00 0.68 O ATOM 574 CB TYR A 36 -6.193 1.986 3.080 1.00 0.29 C ATOM 575 CG TYR A 36 -7.314 2.833 2.524 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.388 2.254 1.861 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.295 4.215 2.659 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.412 3.028 1.350 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.316 4.996 2.151 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.372 4.398 1.499 1.00 0.60 C ATOM 581 OH TYR A 36 -10.390 5.173 0.992 1.00 0.76 O ATOM 0 H TYR A 36 -6.696 1.738 5.808 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.399 0.236 3.361 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.539 2.616 3.682 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.595 1.604 2.253 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.423 1.181 1.743 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.469 4.687 3.169 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.240 2.562 0.836 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.286 6.070 2.265 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.209 6.117 1.183 1.00 0.76 H new ATOM 591 N ILE A 37 -5.627 -1.369 3.935 1.00 0.24 N ATOM 592 CA ILE A 37 -4.583 -2.348 4.200 1.00 0.26 C ATOM 593 C ILE A 37 -3.682 -2.521 2.979 1.00 0.33 C ATOM 594 O ILE A 37 -4.031 -3.233 2.038 1.00 0.70 O ATOM 595 CB ILE A 37 -5.159 -3.734 4.577 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.503 -3.620 5.314 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.158 -4.499 5.429 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.558 -4.557 4.769 1.00 1.14 C ATOM 0 H ILE A 37 -6.455 -1.751 3.478 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.011 -1.963 5.044 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.341 -4.278 3.650 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.350 -3.831 6.372 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.864 -2.594 5.242 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.572 -5.473 5.690 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.233 -4.636 4.869 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.951 -3.937 6.340 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.483 -4.429 5.331 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.737 -4.331 3.718 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.215 -5.587 4.865 1.00 1.14 H new ATOM 610 N VAL A 38 -2.524 -1.872 3.002 1.00 0.36 N ATOM 611 CA VAL A 38 -1.579 -1.965 1.890 1.00 0.42 C ATOM 612 C VAL A 38 -0.578 -3.093 2.132 1.00 0.35 C ATOM 613 O VAL A 38 0.237 -3.034 3.053 1.00 0.48 O ATOM 614 CB VAL A 38 -0.852 -0.606 1.633 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.598 0.125 2.939 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.449 -0.766 0.841 1.00 0.51 C ATOM 0 H VAL A 38 -2.216 -1.279 3.772 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.146 -2.198 0.989 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.522 -0.007 1.016 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.091 1.068 2.735 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.548 0.323 3.436 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.027 -0.491 3.585 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.908 0.212 0.694 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.134 -1.409 1.393 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.232 -1.214 -0.129 1.00 0.51 H new ATOM 626 N GLU A 39 -0.657 -4.122 1.292 1.00 0.30 N ATOM 627 CA GLU A 39 0.228 -5.274 1.400 1.00 0.33 C ATOM 628 C GLU A 39 1.577 -4.987 0.749 1.00 0.32 C ATOM 629 O GLU A 39 1.654 -4.291 -0.263 1.00 0.43 O ATOM 630 CB GLU A 39 -0.419 -6.497 0.743 1.00 0.42 C ATOM 631 CG GLU A 39 -1.192 -7.372 1.716 1.00 0.51 C ATOM 632 CD GLU A 39 -2.643 -6.954 1.853 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.932 -5.750 1.695 1.00 1.52 O ATOM 634 OE2 GLU A 39 -3.490 -7.833 2.119 1.00 1.67 O ATOM 0 H GLU A 39 -1.329 -4.179 0.527 1.00 0.30 H new ATOM 0 HA GLU A 39 0.393 -5.479 2.458 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -1.093 -6.162 -0.045 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.357 -7.096 0.266 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.147 -8.408 1.381 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -0.713 -7.332 2.694 1.00 0.51 H new ATOM 641 N LYS A 40 2.639 -5.531 1.334 1.00 0.28 N ATOM 642 CA LYS A 40 3.986 -5.335 0.809 1.00 0.31 C ATOM 643 C LYS A 40 4.546 -6.635 0.251 1.00 0.29 C ATOM 644 O LYS A 40 4.373 -7.700 0.842 1.00 0.35 O ATOM 645 CB LYS A 40 4.919 -4.813 1.902 1.00 0.43 C ATOM 646 CG LYS A 40 4.656 -5.425 3.267 1.00 0.92 C ATOM 647 CD LYS A 40 5.876 -5.324 4.169 1.00 1.14 C ATOM 648 CE LYS A 40 5.842 -6.369 5.270 1.00 1.65 C ATOM 649 NZ LYS A 40 6.337 -5.830 6.566 1.00 1.97 N ATOM 0 H LYS A 40 2.593 -6.111 2.172 1.00 0.28 H new ATOM 0 HA LYS A 40 3.924 -4.601 0.006 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.951 -5.015 1.615 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.814 -3.730 1.972 1.00 0.43 H new ATOM 0 HG2 LYS A 40 3.812 -4.919 3.737 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.375 -6.472 3.149 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.781 -5.450 3.574 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.921 -4.329 4.612 1.00 1.14 H new ATOM 0 HE2 LYS A 40 4.822 -6.732 5.394 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.451 -7.224 4.977 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.297 -6.576 7.290 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.319 -5.507 6.455 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.741 -5.030 6.860 1.00 1.97 H new ATOM 663 N ARG A 41 5.227 -6.541 -0.883 1.00 0.36 N ATOM 664 CA ARG A 41 5.819 -7.713 -1.503 1.00 0.40 C ATOM 665 C ARG A 41 7.330 -7.697 -1.331 1.00 0.41 C ATOM 666 O ARG A 41 8.025 -6.865 -1.925 1.00 0.43 O ATOM 667 CB ARG A 41 5.468 -7.791 -2.989 1.00 0.46 C ATOM 668 CG ARG A 41 6.087 -8.990 -3.689 1.00 0.58 C ATOM 669 CD ARG A 41 5.457 -9.241 -5.048 1.00 0.88 C ATOM 670 NE ARG A 41 4.441 -10.285 -4.995 1.00 0.95 N ATOM 671 CZ ARG A 41 3.951 -10.884 -6.074 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.379 -10.540 -7.281 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.033 -11.830 -5.949 1.00 1.44 N ATOM 0 H ARG A 41 5.381 -5.669 -1.388 1.00 0.36 H new ATOM 0 HA ARG A 41 5.410 -8.593 -1.007 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.384 -7.835 -3.098 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.801 -6.878 -3.483 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.158 -8.826 -3.810 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.968 -9.876 -3.065 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.009 -8.318 -5.416 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.232 -9.525 -5.760 1.00 0.88 H new ATOM 0 HE ARG A 41 4.088 -10.570 -4.081 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.087 -9.813 -7.383 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.000 -11.002 -8.107 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.701 -12.100 -5.023 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.658 -12.289 -6.779 1.00 1.44 H new ATOM 687 N ASP A 42 7.828 -8.622 -0.514 1.00 0.50 N ATOM 688 CA ASP A 42 9.257 -8.733 -0.252 1.00 0.57 C ATOM 689 C ASP A 42 9.935 -9.523 -1.356 1.00 0.62 C ATOM 690 O ASP A 42 10.030 -10.749 -1.296 1.00 0.91 O ATOM 691 CB ASP A 42 9.503 -9.410 1.091 1.00 0.71 C ATOM 692 CG ASP A 42 8.378 -10.349 1.483 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.386 -10.432 0.729 1.00 1.59 O ATOM 694 OD2 ASP A 42 8.491 -11.001 2.542 1.00 1.49 O ATOM 0 H ASP A 42 7.257 -9.308 -0.020 1.00 0.50 H new ATOM 0 HA ASP A 42 9.678 -7.728 -0.222 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.439 -9.968 1.047 1.00 0.71 H new ATOM 0 HB3 ASP A 42 9.622 -8.648 1.862 1.00 0.71 H new ATOM 699 N LEU A 43 10.400 -8.809 -2.362 1.00 0.63 N ATOM 700 CA LEU A 43 11.071 -9.427 -3.497 1.00 0.68 C ATOM 701 C LEU A 43 12.417 -10.022 -3.080 1.00 0.81 C ATOM 702 O LEU A 43 13.019 -9.578 -2.102 1.00 0.90 O ATOM 703 CB LEU A 43 11.261 -8.392 -4.604 1.00 0.62 C ATOM 704 CG LEU A 43 10.037 -7.507 -4.862 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.447 -6.055 -5.015 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.286 -7.977 -6.093 1.00 0.70 C ATOM 0 H LEU A 43 10.326 -7.793 -2.420 1.00 0.63 H new ATOM 0 HA LEU A 43 10.450 -10.241 -3.871 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.107 -7.755 -4.347 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.521 -8.910 -5.527 1.00 0.62 H new ATOM 0 HG LEU A 43 9.373 -7.588 -4.001 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.563 -5.445 -5.197 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.939 -5.718 -4.103 1.00 0.80 H new ATOM 0 HD13 LEU A 43 11.135 -5.958 -5.855 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.421 -7.335 -6.258 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.944 -7.930 -6.961 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.953 -9.004 -5.946 1.00 0.70 H new ATOM 718 N PRO A 44 12.911 -11.041 -3.811 1.00 0.92 N ATOM 719 CA PRO A 44 12.234 -11.604 -4.982 1.00 0.99 C ATOM 720 C PRO A 44 11.218 -12.687 -4.621 1.00 1.15 C ATOM 721 O PRO A 44 10.628 -13.309 -5.505 1.00 1.43 O ATOM 722 CB PRO A 44 13.393 -12.203 -5.772 1.00 1.15 C ATOM 723 CG PRO A 44 14.361 -12.652 -4.729 1.00 1.25 C ATOM 724 CD PRO A 44 14.190 -11.725 -3.547 1.00 1.08 C ATOM 0 HA PRO A 44 11.653 -10.856 -5.522 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.062 -13.036 -6.392 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.841 -11.467 -6.439 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.168 -13.685 -4.441 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.383 -12.612 -5.107 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.161 -12.277 -2.608 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.014 -11.015 -3.474 1.00 1.08 H new ATOM 732 N ASN A 45 11.011 -12.914 -3.325 1.00 1.14 N ATOM 733 CA ASN A 45 10.060 -13.925 -2.876 1.00 1.33 C ATOM 734 C ASN A 45 8.635 -13.394 -2.969 1.00 1.43 C ATOM 735 O ASN A 45 7.840 -13.856 -3.786 1.00 2.42 O ATOM 736 CB ASN A 45 10.370 -14.352 -1.440 1.00 1.66 C ATOM 737 CG ASN A 45 11.744 -14.976 -1.306 1.00 1.93 C ATOM 738 OD1 ASN A 45 11.895 -16.196 -1.376 1.00 2.66 O ATOM 739 ND2 ASN A 45 12.757 -14.139 -1.111 1.00 1.89 N ATOM 0 H ASN A 45 11.486 -12.415 -2.573 1.00 1.14 H new ATOM 0 HA ASN A 45 10.152 -14.795 -3.526 1.00 1.33 H new ATOM 0 HB2 ASN A 45 10.302 -13.485 -0.783 1.00 1.66 H new ATOM 0 HB3 ASN A 45 9.616 -15.065 -1.105 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.706 -14.501 -1.013 1.00 1.89 H new ATOM 0 HD22 ASN A 45 12.586 -13.135 -1.060 1.00 1.89 H new ATOM 746 N GLY A 46 8.321 -12.416 -2.128 1.00 0.90 N ATOM 747 CA GLY A 46 6.995 -11.831 -2.133 1.00 1.12 C ATOM 748 C GLY A 46 6.022 -12.562 -1.232 1.00 0.76 C ATOM 749 O GLY A 46 6.365 -13.578 -0.627 1.00 0.96 O ATOM 0 H GLY A 46 8.962 -12.018 -1.442 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.062 -10.790 -1.817 1.00 1.12 H new ATOM 0 HA3 GLY A 46 6.608 -11.831 -3.152 1.00 1.12 H new ATOM 753 N ARG A 47 4.801 -12.039 -1.146 1.00 0.80 N ATOM 754 CA ARG A 47 3.754 -12.637 -0.315 1.00 0.76 C ATOM 755 C ARG A 47 2.607 -11.651 -0.098 1.00 0.85 C ATOM 756 O ARG A 47 1.461 -12.054 0.101 1.00 1.71 O ATOM 757 CB ARG A 47 4.314 -13.085 1.039 1.00 0.99 C ATOM 758 CG ARG A 47 5.363 -12.143 1.607 1.00 1.31 C ATOM 759 CD ARG A 47 4.944 -11.588 2.958 1.00 1.11 C ATOM 760 NE ARG A 47 5.979 -11.778 3.970 1.00 1.41 N ATOM 761 CZ ARG A 47 6.185 -12.927 4.606 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.430 -13.983 4.334 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.145 -13.020 5.515 1.00 2.03 N ATOM 0 H ARG A 47 4.510 -11.198 -1.644 1.00 0.80 H new ATOM 0 HA ARG A 47 3.375 -13.512 -0.842 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.493 -13.173 1.751 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.750 -14.078 0.931 1.00 0.99 H new ATOM 0 HG2 ARG A 47 6.311 -12.672 1.708 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.529 -11.321 0.911 1.00 1.31 H new ATOM 0 HD2 ARG A 47 4.722 -10.525 2.861 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.025 -12.077 3.282 1.00 1.11 H new ATOM 0 HE ARG A 47 6.577 -10.985 4.202 1.00 1.41 H new ATOM 0 HH11 ARG A 47 4.690 -13.914 3.636 1.00 2.41 H new ATOM 0 HH12 ARG A 47 5.590 -14.864 4.823 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.727 -12.209 5.727 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.302 -13.902 6.002 1.00 2.03 H new ATOM 777 N TRP A 48 2.925 -10.359 -0.137 1.00 0.50 N ATOM 778 CA TRP A 48 1.927 -9.316 0.052 1.00 0.43 C ATOM 779 C TRP A 48 1.318 -9.384 1.449 1.00 0.45 C ATOM 780 O TRP A 48 0.294 -10.034 1.659 1.00 0.65 O ATOM 781 CB TRP A 48 0.834 -9.448 -1.000 1.00 0.47 C ATOM 782 CG TRP A 48 1.320 -9.203 -2.394 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.235 -10.064 -3.449 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.970 -8.025 -2.889 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.791 -9.494 -4.567 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.247 -8.245 -4.249 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.345 -6.805 -2.317 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.878 -7.296 -5.046 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.973 -5.863 -3.111 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.232 -6.116 -4.463 1.00 0.38 C ATOM 0 H TRP A 48 3.870 -10.011 -0.299 1.00 0.50 H new ATOM 0 HA TRP A 48 2.419 -8.349 -0.056 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.404 -10.448 -0.943 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.034 -8.744 -0.773 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.795 -11.049 -3.410 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.854 -9.931 -5.486 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.148 -6.602 -1.275 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.080 -7.487 -6.090 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.268 -4.917 -2.681 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.723 -5.360 -5.057 1.00 0.38 H new ATOM 801 N LEU A 49 1.956 -8.711 2.401 1.00 0.38 N ATOM 802 CA LEU A 49 1.479 -8.698 3.779 1.00 0.42 C ATOM 803 C LEU A 49 1.241 -7.271 4.265 1.00 0.36 C ATOM 804 O LEU A 49 2.007 -6.360 3.946 1.00 0.39 O ATOM 805 CB LEU A 49 2.487 -9.399 4.693 1.00 0.52 C ATOM 806 CG LEU A 49 1.957 -10.639 5.414 1.00 0.67 C ATOM 807 CD1 LEU A 49 0.757 -10.278 6.277 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.592 -11.722 4.411 1.00 0.84 C ATOM 0 H LEU A 49 2.805 -8.168 2.243 1.00 0.38 H new ATOM 0 HA LEU A 49 0.530 -9.233 3.813 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.354 -9.687 4.098 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.835 -8.685 5.439 1.00 0.52 H new ATOM 0 HG LEU A 49 2.742 -11.026 6.063 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.391 -11.171 6.784 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.052 -9.536 7.018 1.00 1.28 H new ATOM 0 HD13 LEU A 49 -0.033 -9.868 5.648 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.217 -12.597 4.941 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.822 -11.348 3.736 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.476 -11.998 3.836 1.00 0.84 H new ATOM 820 N LYS A 50 0.177 -7.084 5.040 1.00 0.40 N ATOM 821 CA LYS A 50 -0.160 -5.770 5.572 1.00 0.40 C ATOM 822 C LYS A 50 0.988 -5.216 6.412 1.00 0.47 C ATOM 823 O LYS A 50 1.362 -5.795 7.432 1.00 0.85 O ATOM 824 CB LYS A 50 -1.435 -5.850 6.414 1.00 0.59 C ATOM 825 CG LYS A 50 -1.327 -6.804 7.593 1.00 0.72 C ATOM 826 CD LYS A 50 -2.672 -7.421 7.937 1.00 1.03 C ATOM 827 CE LYS A 50 -3.564 -6.436 8.676 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.107 -6.214 10.075 1.00 1.30 N ATOM 0 H LYS A 50 -0.466 -7.827 5.313 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.331 -5.096 4.733 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.679 -4.854 6.784 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.262 -6.165 5.777 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.613 -7.594 7.359 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.939 -6.270 8.460 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.168 -7.748 7.023 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.520 -8.308 8.552 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.575 -5.485 8.143 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.588 -6.809 8.684 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -3.107 -5.195 10.283 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -3.750 -6.702 10.732 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.144 -6.590 10.190 1.00 1.30 H new ATOM 842 N ALA A 51 1.544 -4.092 5.973 1.00 0.45 N ATOM 843 CA ALA A 51 2.652 -3.460 6.679 1.00 0.63 C ATOM 844 C ALA A 51 2.149 -2.519 7.768 1.00 0.55 C ATOM 845 O ALA A 51 2.600 -2.579 8.913 1.00 0.72 O ATOM 846 CB ALA A 51 3.536 -2.702 5.700 1.00 0.86 C ATOM 0 H ALA A 51 1.245 -3.600 5.131 1.00 0.45 H new ATOM 0 HA ALA A 51 3.238 -4.246 7.155 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.360 -2.235 6.240 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.935 -3.394 4.959 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.948 -1.933 5.199 1.00 0.86 H new ATOM 852 N ASN A 52 1.215 -1.647 7.401 1.00 0.42 N ATOM 853 CA ASN A 52 0.648 -0.682 8.341 1.00 0.43 C ATOM 854 C ASN A 52 0.358 -1.310 9.706 1.00 0.59 C ATOM 855 O ASN A 52 0.816 -0.813 10.735 1.00 1.60 O ATOM 856 CB ASN A 52 -0.634 -0.079 7.766 1.00 0.38 C ATOM 857 CG ASN A 52 -1.604 -1.136 7.273 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.293 -1.905 6.362 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.788 -1.180 7.874 1.00 0.62 N ATOM 0 H ASN A 52 0.833 -1.588 6.457 1.00 0.42 H new ATOM 0 HA ASN A 52 1.390 0.102 8.489 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -1.120 0.528 8.530 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.380 0.589 6.943 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.481 -1.870 7.585 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -3.004 -0.524 8.624 1.00 0.62 H new ATOM 866 N PHE A 53 -0.405 -2.400 9.710 1.00 0.81 N ATOM 867 CA PHE A 53 -0.754 -3.088 10.952 1.00 0.82 C ATOM 868 C PHE A 53 -1.215 -2.102 12.023 1.00 0.84 C ATOM 869 O PHE A 53 -0.815 -2.202 13.183 1.00 1.20 O ATOM 870 CB PHE A 53 0.435 -3.895 11.472 1.00 0.96 C ATOM 871 CG PHE A 53 0.076 -4.764 12.638 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.124 -5.455 12.671 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.947 -4.892 13.704 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.446 -6.258 13.749 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.634 -5.689 14.781 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.615 -6.374 14.792 1.00 1.96 C ATOM 0 H PHE A 53 -0.794 -2.826 8.869 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.578 -3.766 10.730 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.827 -4.517 10.667 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.233 -3.212 11.765 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.815 -5.365 11.846 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.886 -4.359 13.691 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.381 -6.799 13.750 1.00 1.66 H new ATOM 0 HE2 PHE A 53 1.324 -5.794 15.605 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.891 -6.985 15.639 1.00 1.96 H new ATOM 886 N SER A 54 -2.059 -1.153 11.631 1.00 0.79 N ATOM 887 CA SER A 54 -2.571 -0.154 12.564 1.00 0.89 C ATOM 888 C SER A 54 -3.941 0.358 12.126 1.00 0.95 C ATOM 889 O SER A 54 -4.973 -0.131 12.586 1.00 1.89 O ATOM 890 CB SER A 54 -1.589 1.014 12.684 1.00 1.00 C ATOM 891 OG SER A 54 -2.217 2.153 13.243 1.00 1.71 O ATOM 0 H SER A 54 -2.403 -1.054 10.676 1.00 0.79 H new ATOM 0 HA SER A 54 -2.680 -0.630 13.538 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.743 0.720 13.305 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.191 1.261 11.700 1.00 1.00 H new ATOM 0 HG SER A 54 -1.568 2.884 13.311 1.00 1.71 H new ATOM 897 N ASN A 55 -3.944 1.344 11.235 1.00 0.75 N ATOM 898 CA ASN A 55 -5.187 1.921 10.735 1.00 0.69 C ATOM 899 C ASN A 55 -4.897 2.998 9.694 1.00 0.66 C ATOM 900 O ASN A 55 -4.391 4.072 10.020 1.00 1.05 O ATOM 901 CB ASN A 55 -6.005 2.508 11.892 1.00 0.84 C ATOM 902 CG ASN A 55 -7.214 3.298 11.419 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.810 2.870 10.311 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -7.607 4.282 12.044 1.00 0.83 N flip ATOM 0 H ASN A 55 -3.099 1.761 10.844 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.768 1.130 10.261 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.337 1.699 12.543 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.365 3.156 12.491 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -7.120 4.577 12.890 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.420 4.803 11.716 1.00 0.83 H new ATOM 911 N ILE A 56 -5.222 2.701 8.440 1.00 0.40 N ATOM 912 CA ILE A 56 -4.997 3.641 7.349 1.00 0.33 C ATOM 913 C ILE A 56 -6.315 4.214 6.837 1.00 0.31 C ATOM 914 O ILE A 56 -6.849 3.760 5.825 1.00 0.53 O ATOM 915 CB ILE A 56 -4.253 2.976 6.175 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.070 2.155 6.690 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.783 4.028 5.180 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.221 1.562 5.587 1.00 0.69 C ATOM 0 H ILE A 56 -5.642 1.816 8.155 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.382 4.446 7.750 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.941 2.303 5.664 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.444 2.789 7.318 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.445 1.350 7.322 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.259 3.542 4.357 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.644 4.572 4.792 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.109 4.724 5.678 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.401 0.993 6.025 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.833 0.902 4.972 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.817 2.363 4.968 1.00 0.69 H new ATOM 930 N LEU A 57 -6.834 5.212 7.543 1.00 0.44 N ATOM 931 CA LEU A 57 -8.091 5.846 7.159 1.00 0.45 C ATOM 932 C LEU A 57 -7.956 6.556 5.816 1.00 0.42 C ATOM 933 O LEU A 57 -8.583 6.164 4.832 1.00 0.60 O ATOM 934 CB LEU A 57 -8.535 6.839 8.231 1.00 0.48 C ATOM 935 CG LEU A 57 -9.988 7.306 8.115 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.150 8.255 6.937 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.922 6.113 7.974 1.00 0.72 C ATOM 0 H LEU A 57 -6.405 5.600 8.383 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.846 5.066 7.062 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.393 6.382 9.210 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.884 7.712 8.189 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.252 7.842 9.027 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.189 8.577 6.869 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.509 9.125 7.080 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.868 7.744 6.017 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.951 6.464 7.893 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.659 5.549 7.079 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.826 5.470 8.849 1.00 0.72 H new ATOM 949 N GLU A 58 -7.132 7.600 5.779 1.00 0.39 N ATOM 950 CA GLU A 58 -6.916 8.353 4.557 1.00 0.43 C ATOM 951 C GLU A 58 -6.020 7.568 3.615 1.00 0.51 C ATOM 952 O GLU A 58 -5.305 6.659 4.039 1.00 1.09 O ATOM 953 CB GLU A 58 -6.293 9.715 4.870 1.00 0.44 C ATOM 954 CG GLU A 58 -4.902 9.621 5.476 1.00 0.44 C ATOM 955 CD GLU A 58 -4.656 10.675 6.538 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.204 10.537 7.652 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.913 11.640 6.256 1.00 1.54 O ATOM 0 H GLU A 58 -6.605 7.940 6.584 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.879 8.518 4.073 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.242 10.302 3.953 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.945 10.254 5.558 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.766 8.632 5.913 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.158 9.726 4.686 1.00 0.44 H new ATOM 964 N ASN A 59 -6.061 7.917 2.341 1.00 0.31 N ATOM 965 CA ASN A 59 -5.246 7.231 1.348 1.00 0.28 C ATOM 966 C ASN A 59 -3.774 7.632 1.455 1.00 0.28 C ATOM 967 O ASN A 59 -2.930 7.095 0.737 1.00 0.49 O ATOM 968 CB ASN A 59 -5.748 7.516 -0.068 1.00 0.32 C ATOM 969 CG ASN A 59 -7.254 7.654 -0.163 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.892 8.286 0.678 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.831 7.065 -1.202 1.00 0.91 N ATOM 0 H ASN A 59 -6.645 8.666 1.969 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.333 6.163 1.550 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.284 8.433 -0.431 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.423 6.712 -0.728 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.841 7.127 -1.327 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.264 6.551 -1.876 1.00 0.91 H new ATOM 978 N GLU A 60 -3.464 8.569 2.351 1.00 0.29 N ATOM 979 CA GLU A 60 -2.090 9.017 2.531 1.00 0.29 C ATOM 980 C GLU A 60 -1.473 8.340 3.745 1.00 0.27 C ATOM 981 O GLU A 60 -1.736 8.726 4.883 1.00 0.35 O ATOM 982 CB GLU A 60 -2.038 10.537 2.695 1.00 0.34 C ATOM 983 CG GLU A 60 -0.629 11.106 2.646 1.00 0.49 C ATOM 984 CD GLU A 60 -0.599 12.600 2.897 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.651 13.252 2.728 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.477 13.120 3.261 1.00 1.91 O ATOM 0 H GLU A 60 -4.143 9.028 2.958 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.519 8.744 1.644 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.635 11.000 1.909 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.497 10.808 3.646 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.011 10.603 3.390 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.189 10.895 1.671 1.00 0.49 H new ATOM 993 N PHE A 61 -0.662 7.321 3.496 1.00 0.24 N ATOM 994 CA PHE A 61 -0.022 6.587 4.580 1.00 0.24 C ATOM 995 C PHE A 61 1.450 6.336 4.297 1.00 0.24 C ATOM 996 O PHE A 61 1.907 6.431 3.157 1.00 0.25 O ATOM 997 CB PHE A 61 -0.736 5.252 4.804 1.00 0.28 C ATOM 998 CG PHE A 61 -0.197 4.472 5.971 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.896 3.636 5.814 1.00 0.37 C ATOM 1000 CD2 PHE A 61 -0.785 4.572 7.225 1.00 0.41 C ATOM 1001 CE1 PHE A 61 1.392 2.915 6.883 1.00 0.44 C ATOM 1002 CE2 PHE A 61 -0.294 3.854 8.290 1.00 0.48 C ATOM 1003 CZ PHE A 61 0.801 3.039 8.128 1.00 0.48 C ATOM 0 H PHE A 61 -0.433 6.985 2.561 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.094 7.199 5.479 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.798 5.439 4.962 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.649 4.647 3.902 1.00 0.28 H new ATOM 0 HD1 PHE A 61 1.366 3.547 4.846 1.00 0.37 H new ATOM 0 HD2 PHE A 61 -1.637 5.221 7.365 1.00 0.41 H new ATOM 0 HE1 PHE A 61 2.238 2.257 6.747 1.00 0.44 H new ATOM 0 HE2 PHE A 61 -0.770 3.931 9.256 1.00 0.48 H new ATOM 0 HZ PHE A 61 1.200 2.496 8.972 1.00 0.48 H new ATOM 1013 N THR A 62 2.185 5.999 5.349 1.00 0.25 N ATOM 1014 CA THR A 62 3.600 5.711 5.236 1.00 0.27 C ATOM 1015 C THR A 62 3.898 4.314 5.754 1.00 0.29 C ATOM 1016 O THR A 62 3.818 4.051 6.953 1.00 0.35 O ATOM 1017 CB THR A 62 4.430 6.748 5.993 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.121 8.056 5.550 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.922 6.548 5.836 1.00 0.37 C ATOM 0 H THR A 62 1.816 5.919 6.296 1.00 0.25 H new ATOM 0 HA THR A 62 3.874 5.760 4.182 1.00 0.27 H new ATOM 0 HB THR A 62 4.171 6.617 7.044 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.614 8.247 4.725 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.453 7.317 6.398 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.199 5.564 6.215 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.190 6.619 4.782 1.00 0.37 H new ATOM 1027 N VAL A 63 4.239 3.419 4.835 1.00 0.31 N ATOM 1028 CA VAL A 63 4.544 2.046 5.190 1.00 0.36 C ATOM 1029 C VAL A 63 5.980 1.916 5.687 1.00 0.38 C ATOM 1030 O VAL A 63 6.909 1.753 4.896 1.00 0.50 O ATOM 1031 CB VAL A 63 4.316 1.097 3.997 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.721 -0.327 4.348 1.00 1.08 C ATOM 1033 CG2 VAL A 63 2.859 1.151 3.563 1.00 0.58 C ATOM 0 H VAL A 63 4.310 3.623 3.838 1.00 0.31 H new ATOM 0 HA VAL A 63 3.866 1.761 5.995 1.00 0.36 H new ATOM 0 HB VAL A 63 4.943 1.425 3.168 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.550 -0.976 3.489 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.777 -0.349 4.615 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.126 -0.677 5.191 1.00 1.08 H new ATOM 0 HG21 VAL A 63 2.705 0.478 2.720 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.221 0.845 4.392 1.00 0.58 H new ATOM 0 HG23 VAL A 63 2.605 2.169 3.266 1.00 0.58 H new ATOM 1043 N SER A 64 6.150 1.992 7.002 1.00 0.49 N ATOM 1044 CA SER A 64 7.471 1.884 7.609 1.00 0.55 C ATOM 1045 C SER A 64 7.714 0.473 8.134 1.00 0.63 C ATOM 1046 O SER A 64 6.794 -0.184 8.623 1.00 0.99 O ATOM 1047 CB SER A 64 7.618 2.896 8.746 1.00 0.63 C ATOM 1048 OG SER A 64 6.421 2.998 9.498 1.00 1.33 O ATOM 0 H SER A 64 5.390 2.128 7.668 1.00 0.49 H new ATOM 0 HA SER A 64 8.214 2.100 6.842 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.437 2.596 9.400 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.878 3.872 8.336 1.00 0.63 H new ATOM 0 HG SER A 64 6.542 3.650 10.219 1.00 1.33 H new ATOM 1054 N GLY A 65 8.956 0.014 8.030 1.00 0.71 N ATOM 1055 CA GLY A 65 9.295 -1.316 8.499 1.00 0.78 C ATOM 1056 C GLY A 65 10.067 -2.128 7.473 1.00 0.72 C ATOM 1057 O GLY A 65 10.571 -3.207 7.785 1.00 0.90 O ATOM 0 H GLY A 65 9.734 0.539 7.630 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.888 -1.234 9.410 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.380 -1.847 8.761 1.00 0.78 H new ATOM 1061 N LEU A 66 10.163 -1.616 6.248 1.00 0.64 N ATOM 1062 CA LEU A 66 10.880 -2.313 5.187 1.00 0.65 C ATOM 1063 C LEU A 66 12.306 -2.638 5.612 1.00 0.59 C ATOM 1064 O LEU A 66 12.686 -2.436 6.765 1.00 0.65 O ATOM 1065 CB LEU A 66 10.906 -1.460 3.912 1.00 0.74 C ATOM 1066 CG LEU A 66 9.541 -1.023 3.364 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.472 -2.079 3.619 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.136 0.316 3.961 1.00 0.89 C ATOM 0 H LEU A 66 9.754 -0.724 5.968 1.00 0.64 H new ATOM 0 HA LEU A 66 10.355 -3.247 4.987 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.499 -0.567 4.109 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.424 -2.021 3.134 1.00 0.74 H new ATOM 0 HG LEU A 66 9.633 -0.908 2.284 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.518 -1.736 3.218 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.757 -3.011 3.130 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.375 -2.247 4.692 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.166 0.613 3.563 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.071 0.226 5.045 1.00 0.89 H new ATOM 0 HD23 LEU A 66 9.880 1.069 3.703 1.00 0.89 H new ATOM 1080 N THR A 67 13.090 -3.140 4.666 1.00 0.65 N ATOM 1081 CA THR A 67 14.481 -3.491 4.926 1.00 0.69 C ATOM 1082 C THR A 67 15.392 -2.865 3.879 1.00 0.72 C ATOM 1083 O THR A 67 15.128 -2.957 2.679 1.00 1.06 O ATOM 1084 CB THR A 67 14.662 -5.010 4.930 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.708 -5.630 5.775 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.037 -5.444 5.389 1.00 0.99 C ATOM 0 H THR A 67 12.785 -3.314 3.708 1.00 0.65 H new ATOM 0 HA THR A 67 14.751 -3.103 5.908 1.00 0.69 H new ATOM 0 HB THR A 67 14.527 -5.320 3.894 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.990 -6.016 5.230 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.101 -6.532 5.369 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.792 -5.024 4.724 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.210 -5.089 6.405 1.00 0.99 H new ATOM 1094 N GLU A 68 16.461 -2.227 4.336 1.00 0.66 N ATOM 1095 CA GLU A 68 17.406 -1.582 3.434 1.00 0.67 C ATOM 1096 C GLU A 68 18.048 -2.598 2.492 1.00 0.60 C ATOM 1097 O GLU A 68 18.209 -3.768 2.841 1.00 0.69 O ATOM 1098 CB GLU A 68 18.487 -0.852 4.232 1.00 0.76 C ATOM 1099 CG GLU A 68 18.475 0.655 4.033 1.00 0.96 C ATOM 1100 CD GLU A 68 19.443 1.373 4.952 1.00 1.32 C ATOM 1101 OE1 GLU A 68 19.621 0.916 6.100 1.00 1.91 O ATOM 1102 OE2 GLU A 68 20.023 2.393 4.523 1.00 1.89 O ATOM 0 H GLU A 68 16.696 -2.142 5.325 1.00 0.66 H new ATOM 0 HA GLU A 68 16.856 -0.858 2.832 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.356 -1.072 5.292 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.464 -1.241 3.945 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.727 0.883 2.997 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.467 1.033 4.207 1.00 0.96 H new ATOM 1109 N ASP A 69 18.412 -2.141 1.298 1.00 0.52 N ATOM 1110 CA ASP A 69 19.037 -3.005 0.301 1.00 0.49 C ATOM 1111 C ASP A 69 18.089 -4.124 -0.117 1.00 0.44 C ATOM 1112 O ASP A 69 18.470 -5.294 -0.149 1.00 0.54 O ATOM 1113 CB ASP A 69 20.337 -3.598 0.848 1.00 0.59 C ATOM 1114 CG ASP A 69 21.410 -3.721 -0.216 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.055 -3.850 -1.407 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.607 -3.691 0.140 1.00 1.87 O ATOM 0 H ASP A 69 18.285 -1.175 0.996 1.00 0.52 H new ATOM 0 HA ASP A 69 19.266 -2.399 -0.576 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.705 -2.971 1.660 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.134 -4.582 1.271 1.00 0.59 H new ATOM 1121 N ALA A 70 16.854 -3.755 -0.435 1.00 0.40 N ATOM 1122 CA ALA A 70 15.851 -4.725 -0.850 1.00 0.40 C ATOM 1123 C ALA A 70 14.668 -4.044 -1.524 1.00 0.35 C ATOM 1124 O ALA A 70 14.060 -3.133 -0.960 1.00 0.36 O ATOM 1125 CB ALA A 70 15.373 -5.531 0.347 1.00 0.49 C ATOM 0 H ALA A 70 16.524 -2.790 -0.413 1.00 0.40 H new ATOM 0 HA ALA A 70 16.314 -5.396 -1.574 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.623 -6.253 0.024 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.217 -6.059 0.791 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.935 -4.860 1.086 1.00 0.49 H new ATOM 1131 N ALA A 71 14.342 -4.492 -2.729 1.00 0.33 N ATOM 1132 CA ALA A 71 13.226 -3.927 -3.473 1.00 0.30 C ATOM 1133 C ALA A 71 11.900 -4.338 -2.845 1.00 0.27 C ATOM 1134 O ALA A 71 11.708 -5.501 -2.490 1.00 0.36 O ATOM 1135 CB ALA A 71 13.295 -4.356 -4.929 1.00 0.34 C ATOM 0 H ALA A 71 14.834 -5.244 -3.211 1.00 0.33 H new ATOM 0 HA ALA A 71 13.293 -2.840 -3.433 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.455 -3.927 -5.475 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.229 -4.006 -5.368 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.250 -5.443 -4.990 1.00 0.34 H new ATOM 1141 N TYR A 72 10.993 -3.377 -2.693 1.00 0.24 N ATOM 1142 CA TYR A 72 9.696 -3.655 -2.087 1.00 0.24 C ATOM 1143 C TYR A 72 8.542 -3.063 -2.887 1.00 0.21 C ATOM 1144 O TYR A 72 8.556 -1.883 -3.235 1.00 0.23 O ATOM 1145 CB TYR A 72 9.656 -3.085 -0.671 1.00 0.30 C ATOM 1146 CG TYR A 72 10.362 -3.936 0.354 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.721 -5.017 0.950 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.671 -3.659 0.723 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.372 -5.797 1.888 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.327 -4.433 1.656 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.652 -5.508 2.246 1.00 0.46 C ATOM 1152 OH TYR A 72 12.325 -6.274 3.170 1.00 0.56 O ATOM 0 H TYR A 72 11.131 -2.407 -2.978 1.00 0.24 H new ATOM 0 HA TYR A 72 9.576 -4.738 -2.072 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.107 -2.093 -0.677 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.616 -2.960 -0.370 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.702 -5.250 0.677 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.184 -2.823 0.271 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.863 -6.637 2.337 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.349 -4.213 1.928 1.00 0.42 H new ATOM 0 HH TYR A 72 13.127 -6.657 2.756 1.00 0.56 H new ATOM 1162 N GLU A 73 7.533 -3.887 -3.152 1.00 0.21 N ATOM 1163 CA GLU A 73 6.351 -3.443 -3.888 1.00 0.21 C ATOM 1164 C GLU A 73 5.181 -3.292 -2.923 1.00 0.23 C ATOM 1165 O GLU A 73 5.106 -4.015 -1.930 1.00 0.32 O ATOM 1166 CB GLU A 73 5.998 -4.444 -4.987 1.00 0.25 C ATOM 1167 CG GLU A 73 7.197 -4.905 -5.796 1.00 0.65 C ATOM 1168 CD GLU A 73 6.955 -4.832 -7.290 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.394 -3.816 -7.752 1.00 1.50 O ATOM 1170 OE2 GLU A 73 7.326 -5.790 -8.001 1.00 1.32 O ATOM 0 H GLU A 73 7.509 -4.867 -2.868 1.00 0.21 H new ATOM 0 HA GLU A 73 6.563 -2.481 -4.355 1.00 0.21 H new ATOM 0 HB2 GLU A 73 5.519 -5.313 -4.536 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.269 -3.991 -5.659 1.00 0.25 H new ATOM 0 HG2 GLU A 73 8.060 -4.291 -5.541 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.443 -5.931 -5.521 1.00 0.65 H new ATOM 1177 N PHE A 74 4.271 -2.352 -3.190 1.00 0.22 N ATOM 1178 CA PHE A 74 3.130 -2.167 -2.263 1.00 0.28 C ATOM 1179 C PHE A 74 1.776 -1.954 -2.948 1.00 0.25 C ATOM 1180 O PHE A 74 1.563 -0.961 -3.637 1.00 0.30 O ATOM 1181 CB PHE A 74 3.369 -0.995 -1.296 1.00 0.39 C ATOM 1182 CG PHE A 74 4.789 -0.519 -1.231 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.690 -1.101 -0.357 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.215 0.513 -2.044 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.999 -0.659 -0.299 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.518 0.959 -1.993 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.413 0.374 -1.120 1.00 0.53 C ATOM 0 H PHE A 74 4.288 -1.729 -3.998 1.00 0.22 H new ATOM 0 HA PHE A 74 3.079 -3.112 -1.722 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.733 -0.161 -1.593 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.054 -1.296 -0.297 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.368 -1.907 0.285 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.519 0.976 -2.728 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.696 -1.119 0.386 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.839 1.766 -2.636 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.434 0.722 -1.078 1.00 0.53 H new ATOM 1197 N ARG A 75 0.846 -2.882 -2.701 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.511 -2.789 -3.243 1.00 0.34 C ATOM 1199 C ARG A 75 -1.457 -2.364 -2.133 1.00 0.31 C ATOM 1200 O ARG A 75 -1.145 -2.537 -0.955 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.973 -4.125 -3.829 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.367 -5.340 -3.144 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.176 -6.599 -3.417 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.698 -7.326 -4.592 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.423 -8.234 -5.238 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.648 -8.523 -4.824 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.922 -8.853 -6.297 1.00 1.87 N ATOM 0 H ARG A 75 1.010 -3.709 -2.127 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.513 -2.053 -4.047 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.059 -4.185 -3.760 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.719 -4.153 -4.889 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.656 -5.482 -3.492 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.317 -5.165 -2.069 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.131 -7.252 -2.546 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.223 -6.331 -3.560 1.00 1.08 H new ATOM 0 HE ARG A 75 0.242 -7.126 -4.934 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.036 -8.049 -4.009 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -3.203 -9.220 -5.321 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.021 -8.633 -6.618 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.479 -9.549 -6.792 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.610 -1.806 -2.487 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.549 -1.372 -1.454 1.00 0.39 C ATOM 1223 C VAL A 76 -4.860 -2.153 -1.473 1.00 0.31 C ATOM 1224 O VAL A 76 -5.694 -1.990 -2.363 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.854 0.147 -1.522 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.902 0.541 -0.485 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.590 0.963 -1.309 1.00 0.54 C ATOM 0 H VAL A 76 -2.912 -1.646 -3.448 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.039 -1.583 -0.514 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.247 0.359 -2.516 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.098 1.611 -0.554 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.824 -0.009 -0.672 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.534 0.303 0.513 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.829 2.025 -1.361 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.169 0.733 -0.330 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.863 0.717 -2.083 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.035 -2.974 -0.443 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.232 -3.760 -0.261 1.00 0.31 C ATOM 1239 C ILE A 77 -7.030 -3.104 0.856 1.00 0.30 C ATOM 1240 O ILE A 77 -6.457 -2.384 1.668 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.891 -5.214 0.132 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.210 -5.945 -1.023 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.138 -5.957 0.567 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.813 -7.365 -0.682 1.00 0.42 C ATOM 0 H ILE A 77 -4.339 -3.108 0.291 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.799 -3.797 -1.191 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.197 -5.182 0.972 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -5.882 -5.959 -1.881 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.322 -5.389 -1.323 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.876 -6.979 0.840 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.580 -5.454 1.427 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.857 -5.973 -0.252 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.335 -7.827 -1.546 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.117 -7.357 0.157 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.701 -7.936 -0.411 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.331 -3.327 0.917 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.107 -2.701 1.979 1.00 0.30 C ATOM 1258 C ALA A 78 -10.565 -3.113 1.958 1.00 0.34 C ATOM 1259 O ALA A 78 -11.195 -3.148 0.905 1.00 0.60 O ATOM 1260 CB ALA A 78 -8.995 -1.188 1.880 1.00 0.39 C ATOM 0 H ALA A 78 -8.859 -3.914 0.271 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.690 -3.045 2.926 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.578 -0.727 2.677 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -7.950 -0.893 1.977 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.377 -0.857 0.914 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.105 -3.405 3.132 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.500 -3.788 3.239 1.00 0.43 C ATOM 1268 C LYS A 79 -13.371 -2.546 3.092 1.00 0.59 C ATOM 1269 O LYS A 79 -12.981 -1.598 2.411 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.767 -4.503 4.565 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.638 -3.611 5.788 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.509 -4.105 6.933 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.248 -5.572 7.244 1.00 1.71 C ATOM 1274 NZ LYS A 79 -11.965 -5.770 7.972 1.00 1.98 N ATOM 0 H LYS A 79 -10.600 -3.384 4.018 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.747 -4.489 2.441 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.771 -4.926 4.541 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -12.072 -5.337 4.662 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.597 -3.580 6.109 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.922 -2.591 5.527 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.317 -3.504 7.822 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.560 -3.968 6.677 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.069 -5.967 7.843 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -13.229 -6.141 6.315 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.827 -6.783 8.163 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.178 -5.417 7.391 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -11.992 -5.248 8.871 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.543 -2.536 3.713 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.418 -1.382 3.604 1.00 0.70 C ATOM 1290 C ASN A 80 -16.235 -1.175 4.895 1.00 0.87 C ATOM 1291 O ASN A 80 -15.675 -0.753 5.907 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.280 -1.532 2.342 1.00 0.67 C ATOM 1293 CG ASN A 80 -16.963 -2.886 2.251 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.449 -3.224 1.065 1.00 2.19 O flip ATOM 1295 ND2 ASN A 80 -17.051 -3.616 3.239 1.00 2.05 N flip ATOM 0 H ASN A 80 -14.903 -3.299 4.286 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.830 -0.471 3.495 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.036 -0.747 2.329 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.655 -1.386 1.461 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -16.662 -3.314 4.132 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.513 -4.522 3.164 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.536 -1.462 4.882 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.363 -1.292 6.068 1.00 0.82 C ATOM 1304 C ALA A 81 -19.127 -2.577 6.373 1.00 0.88 C ATOM 1305 O ALA A 81 -19.220 -3.000 7.525 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.329 -0.130 5.883 1.00 0.83 C ATOM 0 H ALA A 81 -18.036 -1.812 4.064 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.712 -1.067 6.913 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.939 -0.018 6.779 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.766 0.787 5.710 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.975 -0.326 5.027 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.669 -3.193 5.327 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.423 -4.432 5.469 1.00 0.90 C ATOM 1314 C ALA A 82 -19.510 -5.619 5.764 1.00 0.88 C ATOM 1315 O ALA A 82 -19.985 -6.708 6.090 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.232 -4.694 4.210 1.00 0.94 C ATOM 0 H ALA A 82 -19.599 -2.852 4.368 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.098 -4.316 6.317 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.793 -5.622 4.324 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.925 -3.869 4.045 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.559 -4.779 3.356 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.200 -5.412 5.647 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.260 -6.486 5.903 1.00 0.86 C ATOM 1324 C GLY A 83 -16.582 -6.974 4.638 1.00 0.78 C ATOM 1325 O GLY A 83 -15.533 -7.615 4.697 1.00 0.93 O ATOM 0 H GLY A 83 -17.776 -4.523 5.381 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.503 -6.142 6.608 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.782 -7.318 6.376 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.182 -6.668 3.491 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.629 -7.079 2.207 1.00 0.78 C ATOM 1331 C ALA A 84 -15.173 -6.647 2.084 1.00 0.76 C ATOM 1332 O ALA A 84 -14.733 -5.728 2.772 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.451 -6.495 1.068 1.00 0.92 C ATOM 0 H ALA A 84 -18.051 -6.137 3.426 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.670 -8.167 2.148 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.027 -6.810 0.115 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.479 -6.849 1.142 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.437 -5.407 1.130 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.428 -7.310 1.208 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.022 -6.978 1.013 1.00 0.40 C ATOM 1341 C ILE A 85 -12.762 -6.436 -0.384 1.00 0.38 C ATOM 1342 O ILE A 85 -12.963 -7.133 -1.379 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.108 -8.196 1.248 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.637 -7.797 1.082 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.470 -9.320 0.288 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.101 -6.970 2.230 1.00 0.79 C ATOM 0 H ILE A 85 -14.770 -8.074 0.626 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.789 -6.208 1.749 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.255 -8.553 2.267 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.033 -8.699 0.982 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.524 -7.234 0.156 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.816 -10.174 0.465 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.506 -9.616 0.449 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.347 -8.975 -0.739 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.055 -6.725 2.044 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.680 -6.050 2.317 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.181 -7.538 3.157 1.00 0.79 H new ATOM 1358 N SER A 86 -12.304 -5.190 -0.455 1.00 0.39 N ATOM 1359 CA SER A 86 -12.006 -4.573 -1.740 1.00 0.45 C ATOM 1360 C SER A 86 -10.662 -5.091 -2.263 1.00 0.44 C ATOM 1361 O SER A 86 -9.637 -4.967 -1.581 1.00 0.43 O ATOM 1362 CB SER A 86 -11.991 -3.044 -1.628 1.00 0.54 C ATOM 1363 OG SER A 86 -10.670 -2.541 -1.522 1.00 0.59 O ATOM 0 H SER A 86 -12.133 -4.594 0.355 1.00 0.39 H new ATOM 0 HA SER A 86 -12.791 -4.844 -2.446 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.477 -2.610 -2.502 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.569 -2.737 -0.756 1.00 0.54 H new ATOM 0 HG SER A 86 -10.403 -2.520 -0.579 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.652 -5.685 -3.473 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.444 -6.236 -4.089 1.00 0.61 C ATOM 1371 C PRO A 87 -8.209 -5.355 -3.911 1.00 0.54 C ATOM 1372 O PRO A 87 -8.302 -4.215 -3.456 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.820 -6.325 -5.564 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.288 -6.568 -5.561 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.833 -5.875 -4.338 1.00 0.59 C ATOM 0 HA PRO A 87 -9.165 -7.186 -3.633 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.571 -5.405 -6.093 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.285 -7.134 -6.062 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.748 -6.175 -6.467 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.505 -7.636 -5.531 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.297 -4.922 -4.594 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.595 -6.478 -3.845 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.028 -5.889 -4.272 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.759 -5.178 -4.162 1.00 0.56 C ATOM 1385 C PRO A 88 -5.497 -4.267 -5.354 1.00 0.48 C ATOM 1386 O PRO A 88 -5.590 -4.696 -6.504 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.710 -6.303 -4.133 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.460 -7.590 -4.311 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.828 -7.234 -4.816 1.00 0.72 C ATOM 0 HA PRO A 88 -5.742 -4.530 -3.286 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.976 -6.169 -4.927 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.164 -6.300 -3.190 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.946 -8.242 -5.017 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.526 -8.132 -3.367 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -6.873 -7.242 -5.905 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.586 -7.932 -4.461 1.00 0.72 H new ATOM 1397 N SER A 89 -5.157 -3.013 -5.076 1.00 0.43 N ATOM 1398 CA SER A 89 -4.870 -2.059 -6.136 1.00 0.42 C ATOM 1399 C SER A 89 -3.411 -2.182 -6.568 1.00 0.35 C ATOM 1400 O SER A 89 -2.506 -2.095 -5.729 1.00 0.51 O ATOM 1401 CB SER A 89 -5.175 -0.631 -5.680 1.00 0.56 C ATOM 1402 OG SER A 89 -4.412 -0.284 -4.542 1.00 1.28 O ATOM 0 H SER A 89 -5.074 -2.637 -4.131 1.00 0.43 H new ATOM 0 HA SER A 89 -5.511 -2.285 -6.988 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.962 0.066 -6.491 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.237 -0.538 -5.451 1.00 0.56 H new ATOM 0 HG SER A 89 -4.390 0.691 -4.448 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.219 -2.399 -7.882 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.896 -2.561 -8.519 1.00 0.37 C ATOM 1410 C GLU A 90 -0.738 -2.047 -7.660 1.00 0.34 C ATOM 1411 O GLU A 90 -0.556 -0.843 -7.516 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.882 -1.837 -9.868 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.356 -2.693 -11.010 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.461 -3.404 -11.766 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -3.057 -2.780 -12.669 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -2.731 -4.582 -11.453 1.00 1.76 O ATOM 0 H GLU A 90 -3.992 -2.468 -8.544 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.744 -3.633 -8.649 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.894 -1.509 -10.106 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.268 -0.940 -9.784 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.795 -2.064 -11.701 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -0.659 -3.432 -10.614 1.00 0.90 H new ATOM 1423 N PRO A 91 0.063 -2.958 -7.079 1.00 0.30 N ATOM 1424 CA PRO A 91 1.196 -2.583 -6.234 1.00 0.29 C ATOM 1425 C PRO A 91 2.044 -1.467 -6.825 1.00 0.31 C ATOM 1426 O PRO A 91 2.125 -1.304 -8.043 1.00 0.55 O ATOM 1427 CB PRO A 91 2.021 -3.861 -6.146 1.00 0.36 C ATOM 1428 CG PRO A 91 1.060 -4.977 -6.374 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.077 -4.423 -7.198 1.00 0.39 C ATOM 0 HA PRO A 91 0.853 -2.200 -5.273 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.814 -3.868 -6.894 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.501 -3.951 -5.172 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.545 -5.803 -6.894 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.693 -5.369 -5.425 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.009 -4.746 -8.237 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.042 -4.762 -6.822 1.00 0.39 H new ATOM 1437 N SER A 92 2.689 -0.712 -5.942 1.00 0.27 N ATOM 1438 CA SER A 92 3.553 0.379 -6.352 1.00 0.31 C ATOM 1439 C SER A 92 4.925 -0.176 -6.686 1.00 0.27 C ATOM 1440 O SER A 92 5.387 -1.122 -6.033 1.00 0.24 O ATOM 1441 CB SER A 92 3.663 1.435 -5.244 1.00 0.39 C ATOM 1442 OG SER A 92 4.975 1.967 -5.162 1.00 1.23 O ATOM 0 H SER A 92 2.626 -0.840 -4.932 1.00 0.27 H new ATOM 0 HA SER A 92 3.126 0.861 -7.232 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.954 2.240 -5.436 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.389 0.990 -4.287 1.00 0.39 H new ATOM 0 HG SER A 92 5.408 1.645 -4.344 1.00 1.23 H new ATOM 1448 N ASP A 93 5.559 0.416 -7.702 1.00 0.33 N ATOM 1449 CA ASP A 93 6.890 -0.002 -8.161 1.00 0.36 C ATOM 1450 C ASP A 93 7.765 -0.465 -7.005 1.00 0.32 C ATOM 1451 O ASP A 93 7.667 0.047 -5.890 1.00 0.56 O ATOM 1452 CB ASP A 93 7.622 1.117 -8.931 1.00 0.45 C ATOM 1453 CG ASP A 93 6.897 2.453 -8.950 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.907 2.580 -9.700 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.319 3.368 -8.212 1.00 1.55 O ATOM 0 H ASP A 93 5.167 1.196 -8.229 1.00 0.33 H new ATOM 0 HA ASP A 93 6.721 -0.838 -8.840 1.00 0.36 H new ATOM 0 HB2 ASP A 93 8.607 1.260 -8.488 1.00 0.45 H new ATOM 0 HB3 ASP A 93 7.779 0.790 -9.959 1.00 0.45 H new ATOM 1460 N ALA A 94 8.616 -1.437 -7.284 1.00 0.33 N ATOM 1461 CA ALA A 94 9.508 -1.974 -6.273 1.00 0.28 C ATOM 1462 C ALA A 94 10.674 -1.024 -6.024 1.00 0.29 C ATOM 1463 O ALA A 94 11.387 -0.651 -6.956 1.00 0.41 O ATOM 1464 CB ALA A 94 10.036 -3.329 -6.703 1.00 0.34 C ATOM 0 H ALA A 94 8.708 -1.870 -8.203 1.00 0.33 H new ATOM 0 HA ALA A 94 8.943 -2.087 -5.348 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.704 -3.720 -5.935 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.202 -4.017 -6.843 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.582 -3.226 -7.641 1.00 0.34 H new ATOM 1470 N ILE A 95 10.872 -0.637 -4.771 1.00 0.25 N ATOM 1471 CA ILE A 95 11.961 0.264 -4.423 1.00 0.28 C ATOM 1472 C ILE A 95 13.042 -0.466 -3.639 1.00 0.26 C ATOM 1473 O ILE A 95 12.803 -0.939 -2.528 1.00 0.25 O ATOM 1474 CB ILE A 95 11.465 1.466 -3.603 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.279 2.122 -4.306 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.589 2.470 -3.396 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.940 1.634 -3.809 1.00 0.44 C ATOM 0 H ILE A 95 10.296 -0.931 -3.983 1.00 0.25 H new ATOM 0 HA ILE A 95 12.379 0.631 -5.361 1.00 0.28 H new ATOM 0 HB ILE A 95 11.140 1.115 -2.624 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.337 3.202 -4.169 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.351 1.933 -5.377 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.220 3.314 -2.814 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.410 1.992 -2.862 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.943 2.824 -4.364 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.143 2.142 -4.352 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.861 0.559 -3.971 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.847 1.848 -2.744 1.00 0.44 H new ATOM 1489 N THR A 96 14.229 -0.560 -4.232 1.00 0.29 N ATOM 1490 CA THR A 96 15.355 -1.239 -3.601 1.00 0.32 C ATOM 1491 C THR A 96 15.539 -0.781 -2.159 1.00 0.32 C ATOM 1492 O THR A 96 16.000 -1.546 -1.313 1.00 0.38 O ATOM 1493 CB THR A 96 16.637 -0.982 -4.392 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.516 -1.473 -5.715 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.860 -1.624 -3.774 1.00 0.43 C ATOM 0 H THR A 96 14.436 -0.172 -5.153 1.00 0.29 H new ATOM 0 HA THR A 96 15.140 -2.308 -3.596 1.00 0.32 H new ATOM 0 HB THR A 96 16.771 0.100 -4.383 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.346 -1.298 -6.206 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.735 -1.403 -4.385 1.00 0.43 H new ATOM 0 HG22 THR A 96 18.010 -1.229 -2.769 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.717 -2.703 -3.722 1.00 0.43 H new ATOM 1503 N CYS A 97 15.182 0.468 -1.882 1.00 0.32 N ATOM 1504 CA CYS A 97 15.319 1.013 -0.537 1.00 0.36 C ATOM 1505 C CYS A 97 16.738 0.791 -0.020 1.00 0.43 C ATOM 1506 O CYS A 97 16.970 -0.051 0.844 1.00 0.64 O ATOM 1507 CB CYS A 97 14.303 0.359 0.404 1.00 0.38 C ATOM 1508 SG CYS A 97 12.605 0.941 0.178 1.00 1.10 S ATOM 0 H CYS A 97 14.798 1.119 -2.567 1.00 0.32 H new ATOM 0 HA CYS A 97 15.124 2.085 -0.571 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.328 -0.720 0.255 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.606 0.546 1.434 1.00 0.38 H new ATOM 0 HG CYS A 97 12.143 1.382 1.310 1.00 1.10 H new ATOM 1514 N ARG A 98 17.685 1.547 -0.568 1.00 0.53 N ATOM 1515 CA ARG A 98 19.088 1.428 -0.172 1.00 0.63 C ATOM 1516 C ARG A 98 19.550 2.649 0.613 1.00 0.80 C ATOM 1517 O ARG A 98 19.615 2.627 1.843 1.00 1.04 O ATOM 1518 CB ARG A 98 19.986 1.229 -1.401 1.00 0.68 C ATOM 1519 CG ARG A 98 19.419 1.801 -2.694 1.00 0.74 C ATOM 1520 CD ARG A 98 20.521 2.165 -3.674 1.00 0.92 C ATOM 1521 NE ARG A 98 21.051 0.991 -4.361 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.730 1.049 -5.501 1.00 2.31 C ATOM 1523 NH1 ARG A 98 21.958 2.220 -6.080 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.180 -0.063 -6.065 1.00 2.68 N ATOM 0 H ARG A 98 17.508 2.248 -1.287 1.00 0.53 H new ATOM 0 HA ARG A 98 19.170 0.554 0.473 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.954 1.691 -1.207 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.164 0.162 -1.537 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.750 1.073 -3.152 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.823 2.686 -2.471 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.134 2.871 -4.409 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.328 2.669 -3.142 1.00 0.92 H new ATOM 0 HE ARG A 98 20.891 0.075 -3.942 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.612 3.078 -5.650 1.00 3.00 H new ATOM 0 HH12 ARG A 98 22.480 2.263 -6.955 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.005 -0.966 -5.623 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.701 -0.016 -6.941 1.00 2.68 H new ATOM 1538 N ASP A 99 19.874 3.706 -0.111 1.00 0.92 N ATOM 1539 CA ASP A 99 20.340 4.949 0.496 1.00 1.20 C ATOM 1540 C ASP A 99 19.344 6.079 0.251 1.00 1.03 C ATOM 1541 O ASP A 99 19.723 7.248 0.189 1.00 1.20 O ATOM 1542 CB ASP A 99 21.703 5.330 -0.083 1.00 1.61 C ATOM 1543 CG ASP A 99 21.639 5.641 -1.565 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.843 4.989 -2.275 1.00 2.14 O ATOM 1545 OD2 ASP A 99 22.385 6.535 -2.017 1.00 2.08 O ATOM 0 H ASP A 99 19.824 3.732 -1.129 1.00 0.92 H new ATOM 0 HA ASP A 99 20.431 4.794 1.571 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.091 6.198 0.450 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.406 4.513 0.083 1.00 1.61 H new ATOM 1550 N ASP A 100 18.072 5.721 0.097 1.00 0.85 N ATOM 1551 CA ASP A 100 17.018 6.700 -0.158 1.00 0.92 C ATOM 1552 C ASP A 100 17.420 7.662 -1.272 1.00 1.22 C ATOM 1553 O ASP A 100 16.933 8.790 -1.344 1.00 1.38 O ATOM 1554 CB ASP A 100 16.675 7.478 1.119 1.00 0.87 C ATOM 1555 CG ASP A 100 15.331 7.084 1.703 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.293 6.138 2.517 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.319 7.722 1.346 1.00 2.03 O ATOM 0 H ASP A 100 17.745 4.756 0.145 1.00 0.85 H new ATOM 0 HA ASP A 100 16.131 6.155 -0.481 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.453 7.308 1.863 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.672 8.546 0.899 1.00 0.87 H new ATOM 1562 N VAL A 101 18.310 7.200 -2.142 1.00 1.43 N ATOM 1563 CA VAL A 101 18.784 8.002 -3.261 1.00 1.90 C ATOM 1564 C VAL A 101 18.636 7.255 -4.589 1.00 2.23 C ATOM 1565 O VAL A 101 18.774 7.851 -5.658 1.00 2.80 O ATOM 1566 CB VAL A 101 20.258 8.409 -3.079 1.00 2.20 C ATOM 1567 CG1 VAL A 101 20.706 9.310 -4.219 1.00 2.67 C ATOM 1568 CG2 VAL A 101 20.460 9.095 -1.736 1.00 2.22 C ATOM 0 H VAL A 101 18.720 6.267 -2.092 1.00 1.43 H new ATOM 0 HA VAL A 101 18.165 8.899 -3.283 1.00 1.90 H new ATOM 0 HB VAL A 101 20.871 7.508 -3.096 1.00 2.20 H new ATOM 0 HG11 VAL A 101 21.750 9.588 -4.074 1.00 2.67 H new ATOM 0 HG12 VAL A 101 20.600 8.780 -5.165 1.00 2.67 H new ATOM 0 HG13 VAL A 101 20.090 10.209 -4.236 1.00 2.67 H new ATOM 0 HG21 VAL A 101 21.507 9.376 -1.625 1.00 2.22 H new ATOM 0 HG22 VAL A 101 19.838 9.989 -1.687 1.00 2.22 H new ATOM 0 HG23 VAL A 101 20.180 8.413 -0.933 1.00 2.22 H new ATOM 1578 N GLU A 102 18.350 5.952 -4.525 1.00 1.99 N ATOM 1579 CA GLU A 102 18.183 5.152 -5.728 1.00 2.40 C ATOM 1580 C GLU A 102 19.358 5.340 -6.676 1.00 2.00 C ATOM 1581 O GLU A 102 19.213 5.231 -7.894 1.00 2.49 O ATOM 1582 CB GLU A 102 16.879 5.532 -6.418 1.00 3.22 C ATOM 1583 CG GLU A 102 15.746 4.578 -6.105 1.00 3.87 C ATOM 1584 CD GLU A 102 15.705 4.177 -4.644 1.00 4.18 C ATOM 1585 OE1 GLU A 102 15.625 5.078 -3.783 1.00 4.47 O ATOM 1586 OE2 GLU A 102 15.752 2.960 -4.361 1.00 4.58 O ATOM 0 H GLU A 102 18.231 5.436 -3.654 1.00 1.99 H new ATOM 0 HA GLU A 102 18.147 4.100 -5.444 1.00 2.40 H new ATOM 0 HB2 GLU A 102 16.593 6.539 -6.114 1.00 3.22 H new ATOM 0 HB3 GLU A 102 17.038 5.557 -7.496 1.00 3.22 H new ATOM 0 HG2 GLU A 102 14.799 5.044 -6.376 1.00 3.87 H new ATOM 0 HG3 GLU A 102 15.849 3.684 -6.720 1.00 3.87 H new ATOM 1593 N ALA A 103 20.522 5.622 -6.104 1.00 1.84 N ATOM 1594 CA ALA A 103 21.736 5.829 -6.888 1.00 2.56 C ATOM 1595 C ALA A 103 22.877 6.326 -6.008 1.00 3.21 C ATOM 1596 O ALA A 103 22.639 6.551 -4.802 1.00 3.72 O ATOM 1597 CB ALA A 103 21.474 6.812 -8.020 1.00 3.26 C ATOM 1598 OXT ALA A 103 24.001 6.486 -6.530 1.00 3.79 O ATOM 0 H ALA A 103 20.652 5.713 -5.096 1.00 1.84 H new ATOM 0 HA ALA A 103 22.031 4.871 -7.316 1.00 2.56 H new ATOM 0 HB1 ALA A 103 22.388 6.956 -8.596 1.00 3.26 H new ATOM 0 HB2 ALA A 103 20.694 6.418 -8.671 1.00 3.26 H new ATOM 0 HB3 ALA A 103 21.152 7.767 -7.605 1.00 3.26 H new TER 1604 ALA A 103