USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 823 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 33 ASN : amide:sc= 0.203 K(o=-0.17,f=-4.5!) USER MOD Set 1.2: A 34 GLN : amide:sc= -0.377 X(o=-0.17,f=-0.33) USER MOD Set 1.3: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 SER OG : rot 180:sc= -0.203 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot -170:sc= -0.755 USER MOD Single : A 16 HIS : no HE2:sc= -0.237 K(o=-0.24,f=-3.8!) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.98 F(o=-2.5!,f=-2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.011) USER MOD Single : A 39 THR OG1 : rot -84:sc= 0.708 USER MOD Single : A 40 ASN : amide:sc= 0.0226 K(o=0.023,f=-8.8!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= -0.156 (180deg=-1.02) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0.631 (180deg=0.626) USER MOD Single : A 53 SER OG : rot -48:sc= 0.481 USER MOD Single : A 54 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 142:sc= 0.757 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 174:sc= -2.76 (180deg=-2.93) USER MOD Single : A 75 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.1) USER MOD Single : A 76 SER OG : rot 83:sc= -1.15 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 79 HIS : no HE2:sc= 0.339 K(o=0.34,f=-2.2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0.0189 X(o=0.019,f=-0.0011) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= 0.853 (180deg=0.346) USER MOD Single : A 92 THR OG1 : rot -117:sc= -0.598 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 99 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0723 K(o=-0.072,f=-2!) USER MOD Single : A 106 SER OG : rot 180:sc= 0.00794 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.644 18.795 -2.920 1.00 14.48 N ATOM 2 CA GLY A 1 -14.928 19.881 -3.869 1.00 15.78 C ATOM 3 C GLY A 1 -14.098 21.075 -3.462 1.00 15.57 C ATOM 4 O GLY A 1 -14.307 21.591 -2.369 1.00 15.58 O ATOM 0 H1 GLY A 1 -15.203 17.956 -3.175 1.00 14.48 H new ATOM 0 H2 GLY A 1 -13.631 18.560 -2.954 1.00 14.48 H new ATOM 0 H3 GLY A 1 -14.896 19.100 -1.958 1.00 14.48 H new ATOM 0 HA2 GLY A 1 -14.683 19.574 -4.886 1.00 15.78 H new ATOM 0 HA3 GLY A 1 -15.989 20.131 -3.858 1.00 15.78 H new ATOM 10 N SER A 2 -13.127 21.458 -4.289 1.00 15.55 N ATOM 11 CA SER A 2 -12.068 22.368 -3.893 1.00 15.29 C ATOM 12 C SER A 2 -11.571 23.096 -5.135 1.00 15.98 C ATOM 13 O SER A 2 -12.064 22.838 -6.232 1.00 16.67 O ATOM 14 CB SER A 2 -10.927 21.559 -3.254 1.00 14.37 C ATOM 15 OG SER A 2 -11.420 20.528 -2.417 1.00 13.90 O ATOM 0 H SER A 2 -13.058 21.141 -5.256 1.00 15.55 H new ATOM 0 HA SER A 2 -12.433 23.096 -3.168 1.00 15.29 H new ATOM 0 HB2 SER A 2 -10.305 21.126 -4.037 1.00 14.37 H new ATOM 0 HB3 SER A 2 -10.289 22.225 -2.673 1.00 14.37 H new ATOM 0 HG SER A 2 -10.668 20.034 -2.029 1.00 13.90 H new ATOM 21 N LYS A 3 -10.584 23.981 -4.978 1.00 15.99 N ATOM 22 CA LYS A 3 -9.978 24.654 -6.116 1.00 16.71 C ATOM 23 C LYS A 3 -8.470 24.727 -5.908 1.00 15.85 C ATOM 24 O LYS A 3 -7.748 23.882 -6.424 1.00 15.81 O ATOM 25 CB LYS A 3 -10.669 26.001 -6.355 1.00 18.50 C ATOM 26 CG LYS A 3 -10.225 26.590 -7.697 1.00 19.64 C ATOM 27 CD LYS A 3 -11.127 27.754 -8.109 1.00 21.58 C ATOM 28 CE LYS A 3 -11.039 28.885 -7.080 1.00 21.88 C ATOM 29 NZ LYS A 3 -11.523 30.171 -7.629 1.00 23.62 N ATOM 0 H LYS A 3 -10.192 24.244 -4.074 1.00 15.99 H new ATOM 0 HA LYS A 3 -10.125 24.093 -7.039 1.00 16.71 H new ATOM 0 HB2 LYS A 3 -11.751 25.870 -6.347 1.00 18.50 H new ATOM 0 HB3 LYS A 3 -10.426 26.692 -5.548 1.00 18.50 H new ATOM 0 HG2 LYS A 3 -9.193 26.933 -7.624 1.00 19.64 H new ATOM 0 HG3 LYS A 3 -10.250 25.816 -8.464 1.00 19.64 H new ATOM 0 HD2 LYS A 3 -10.831 28.123 -9.091 1.00 21.58 H new ATOM 0 HD3 LYS A 3 -12.158 27.411 -8.195 1.00 21.58 H new ATOM 0 HE2 LYS A 3 -11.627 28.622 -6.201 1.00 21.88 H new ATOM 0 HE3 LYS A 3 -10.006 28.997 -6.751 1.00 21.88 H new ATOM 0 HZ1 LYS A 3 -11.447 30.910 -6.901 1.00 23.62 H new ATOM 0 HZ2 LYS A 3 -10.946 30.436 -8.453 1.00 23.62 H new ATOM 0 HZ3 LYS A 3 -12.517 30.072 -7.919 1.00 23.62 H new ATOM 43 N GLY A 4 -7.993 25.683 -5.112 1.00 15.31 N ATOM 44 CA GLY A 4 -6.586 25.776 -4.763 1.00 14.46 C ATOM 45 C GLY A 4 -6.422 25.394 -3.309 1.00 12.71 C ATOM 46 O GLY A 4 -6.589 26.232 -2.429 1.00 12.73 O ATOM 0 H GLY A 4 -8.573 26.410 -4.695 1.00 15.31 H new ATOM 0 HA2 GLY A 4 -5.995 25.115 -5.397 1.00 14.46 H new ATOM 0 HA3 GLY A 4 -6.221 26.789 -4.931 1.00 14.46 H new ATOM 50 N VAL A 5 -6.120 24.123 -3.063 1.00 11.61 N ATOM 51 CA VAL A 5 -5.776 23.595 -1.770 1.00 10.13 C ATOM 52 C VAL A 5 -4.413 22.923 -1.895 1.00 8.71 C ATOM 53 O VAL A 5 -3.621 23.319 -2.749 1.00 9.19 O ATOM 54 CB VAL A 5 -6.909 22.676 -1.313 1.00 10.47 C ATOM 55 CG1 VAL A 5 -8.194 23.489 -1.131 1.00 12.05 C ATOM 56 CG2 VAL A 5 -7.197 21.517 -2.277 1.00 11.07 C ATOM 0 H VAL A 5 -6.111 23.414 -3.796 1.00 11.61 H new ATOM 0 HA VAL A 5 -5.678 24.359 -0.998 1.00 10.13 H new ATOM 0 HB VAL A 5 -6.577 22.237 -0.372 1.00 10.47 H new ATOM 0 HG11 VAL A 5 -8.999 22.830 -0.805 1.00 12.05 H new ATOM 0 HG12 VAL A 5 -8.032 24.262 -0.380 1.00 12.05 H new ATOM 0 HG13 VAL A 5 -8.467 23.954 -2.078 1.00 12.05 H new ATOM 0 HG21 VAL A 5 -8.013 20.911 -1.883 1.00 11.07 H new ATOM 0 HG22 VAL A 5 -7.479 21.916 -3.252 1.00 11.07 H new ATOM 0 HG23 VAL A 5 -6.304 20.900 -2.382 1.00 11.07 H new ATOM 66 N GLU A 6 -4.119 21.916 -1.075 1.00 7.44 N ATOM 67 CA GLU A 6 -2.824 21.267 -1.105 1.00 6.14 C ATOM 68 C GLU A 6 -2.912 19.888 -1.720 1.00 5.82 C ATOM 69 O GLU A 6 -3.196 18.894 -1.057 1.00 6.22 O ATOM 70 CB GLU A 6 -2.211 21.221 0.297 1.00 5.88 C ATOM 71 CG GLU A 6 -2.198 22.617 0.924 1.00 6.86 C ATOM 72 CD GLU A 6 -1.147 22.688 2.030 1.00 7.64 C ATOM 73 OE1 GLU A 6 -1.445 22.197 3.140 1.00 8.06 O ATOM 74 OE2 GLU A 6 -0.046 23.203 1.732 1.00 8.41 O ATOM 0 H GLU A 6 -4.766 21.536 -0.383 1.00 7.44 H new ATOM 0 HA GLU A 6 -2.164 21.858 -1.739 1.00 6.14 H new ATOM 0 HB2 GLU A 6 -2.781 20.538 0.927 1.00 5.88 H new ATOM 0 HB3 GLU A 6 -1.195 20.831 0.243 1.00 5.88 H new ATOM 0 HG2 GLU A 6 -1.984 23.365 0.160 1.00 6.86 H new ATOM 0 HG3 GLU A 6 -3.182 22.850 1.331 1.00 6.86 H new ATOM 81 N LEU A 7 -2.573 19.815 -3.005 1.00 6.28 N ATOM 82 CA LEU A 7 -2.638 18.583 -3.765 1.00 7.00 C ATOM 83 C LEU A 7 -1.373 17.759 -3.564 1.00 6.00 C ATOM 84 O LEU A 7 -0.830 17.185 -4.505 1.00 7.28 O ATOM 85 CB LEU A 7 -2.865 18.902 -5.246 1.00 9.28 C ATOM 86 CG LEU A 7 -4.080 19.793 -5.557 1.00 10.47 C ATOM 87 CD1 LEU A 7 -5.367 19.273 -4.911 1.00 10.98 C ATOM 88 CD2 LEU A 7 -3.897 21.271 -5.219 1.00 10.14 C ATOM 0 H LEU A 7 -2.245 20.616 -3.545 1.00 6.28 H new ATOM 0 HA LEU A 7 -3.477 17.986 -3.407 1.00 7.00 H new ATOM 0 HB2 LEU A 7 -1.971 19.389 -5.635 1.00 9.28 H new ATOM 0 HB3 LEU A 7 -2.978 17.963 -5.788 1.00 9.28 H new ATOM 0 HG LEU A 7 -4.168 19.730 -6.642 1.00 10.47 H new ATOM 0 HD11 LEU A 7 -6.194 19.937 -5.161 1.00 10.98 H new ATOM 0 HD12 LEU A 7 -5.581 18.271 -5.282 1.00 10.98 H new ATOM 0 HD13 LEU A 7 -5.243 19.240 -3.829 1.00 10.98 H new ATOM 0 HD21 LEU A 7 -4.805 21.818 -5.473 1.00 10.14 H new ATOM 0 HD22 LEU A 7 -3.695 21.378 -4.153 1.00 10.14 H new ATOM 0 HD23 LEU A 7 -3.060 21.674 -5.789 1.00 10.14 H new ATOM 100 N ARG A 8 -0.894 17.726 -2.321 1.00 4.11 N ATOM 101 CA ARG A 8 0.261 17.006 -1.857 1.00 3.59 C ATOM 102 C ARG A 8 -0.193 16.280 -0.603 1.00 2.96 C ATOM 103 O ARG A 8 -0.806 15.232 -0.704 1.00 2.53 O ATOM 104 CB ARG A 8 1.450 17.961 -1.657 1.00 3.51 C ATOM 105 CG ARG A 8 1.858 18.627 -2.982 1.00 4.40 C ATOM 106 CD ARG A 8 3.327 18.386 -3.315 1.00 5.24 C ATOM 107 NE ARG A 8 4.229 19.141 -2.431 1.00 5.68 N ATOM 108 CZ ARG A 8 4.558 20.432 -2.578 1.00 6.42 C ATOM 109 NH1 ARG A 8 4.030 21.152 -3.569 1.00 6.50 N ATOM 110 NH2 ARG A 8 5.419 21.001 -1.734 1.00 7.68 N ATOM 0 H ARG A 8 -1.346 18.244 -1.567 1.00 4.11 H new ATOM 0 HA ARG A 8 0.634 16.276 -2.575 1.00 3.59 H new ATOM 0 HB2 ARG A 8 1.186 18.727 -0.928 1.00 3.51 H new ATOM 0 HB3 ARG A 8 2.297 17.410 -1.248 1.00 3.51 H new ATOM 0 HG2 ARG A 8 1.235 18.240 -3.789 1.00 4.40 H new ATOM 0 HG3 ARG A 8 1.671 19.699 -2.921 1.00 4.40 H new ATOM 0 HD2 ARG A 8 3.547 17.322 -3.232 1.00 5.24 H new ATOM 0 HD3 ARG A 8 3.514 18.670 -4.351 1.00 5.24 H new ATOM 0 HE ARG A 8 4.637 18.641 -1.641 1.00 5.68 H new ATOM 0 HH11 ARG A 8 3.373 20.720 -4.219 1.00 6.50 H new ATOM 0 HH12 ARG A 8 4.283 22.134 -3.677 1.00 6.50 H new ATOM 0 HH21 ARG A 8 5.827 20.454 -0.976 1.00 7.68 H new ATOM 0 HH22 ARG A 8 5.669 21.983 -1.846 1.00 7.68 H new ATOM 124 N ASN A 9 -0.026 16.870 0.577 1.00 3.00 N ATOM 125 CA ASN A 9 -0.347 16.188 1.826 1.00 2.73 C ATOM 126 C ASN A 9 -1.823 15.892 1.995 1.00 2.28 C ATOM 127 O ASN A 9 -2.154 14.801 2.445 1.00 2.05 O ATOM 128 CB ASN A 9 0.150 17.003 3.022 1.00 3.26 C ATOM 129 CG ASN A 9 1.629 16.741 3.263 1.00 3.81 C ATOM 130 OD1 ASN A 9 2.482 17.409 2.692 1.00 4.51 O ATOM 131 ND2 ASN A 9 1.958 15.749 4.079 1.00 3.93 N ATOM 0 H ASN A 9 0.330 17.819 0.694 1.00 3.00 H new ATOM 0 HA ASN A 9 0.166 15.227 1.782 1.00 2.73 H new ATOM 0 HB2 ASN A 9 -0.013 18.065 2.840 1.00 3.26 H new ATOM 0 HB3 ASN A 9 -0.422 16.741 3.912 1.00 3.26 H new ATOM 0 HD21 ASN A 9 2.940 15.528 4.243 1.00 3.93 H new ATOM 0 HD22 ASN A 9 1.229 15.207 4.543 1.00 3.93 H new ATOM 138 N ASP A 10 -2.709 16.841 1.703 1.00 2.22 N ATOM 139 CA ASP A 10 -4.133 16.576 1.852 1.00 1.83 C ATOM 140 C ASP A 10 -4.546 15.463 0.888 1.00 1.36 C ATOM 141 O ASP A 10 -5.192 14.508 1.298 1.00 1.22 O ATOM 142 CB ASP A 10 -4.920 17.875 1.685 1.00 1.92 C ATOM 143 CG ASP A 10 -6.417 17.637 1.481 1.00 1.75 C ATOM 144 OD1 ASP A 10 -7.027 17.020 2.379 1.00 1.85 O ATOM 145 OD2 ASP A 10 -6.932 18.087 0.432 1.00 2.49 O ATOM 0 H ASP A 10 -2.473 17.776 1.371 1.00 2.22 H new ATOM 0 HA ASP A 10 -4.362 16.214 2.854 1.00 1.83 H new ATOM 0 HB2 ASP A 10 -4.773 18.500 2.566 1.00 1.92 H new ATOM 0 HB3 ASP A 10 -4.525 18.427 0.832 1.00 1.92 H new ATOM 150 N SER A 11 -4.096 15.508 -0.369 1.00 1.36 N ATOM 151 CA SER A 11 -4.391 14.459 -1.342 1.00 1.16 C ATOM 152 C SER A 11 -3.876 13.080 -0.919 1.00 0.93 C ATOM 153 O SER A 11 -4.628 12.110 -0.922 1.00 0.75 O ATOM 154 CB SER A 11 -3.768 14.828 -2.684 1.00 1.66 C ATOM 155 OG SER A 11 -4.447 15.934 -3.237 1.00 1.77 O ATOM 0 H SER A 11 -3.522 16.267 -0.736 1.00 1.36 H new ATOM 0 HA SER A 11 -5.477 14.391 -1.413 1.00 1.16 H new ATOM 0 HB2 SER A 11 -2.713 15.066 -2.552 1.00 1.66 H new ATOM 0 HB3 SER A 11 -3.821 13.979 -3.366 1.00 1.66 H new ATOM 0 HG SER A 11 -4.152 16.070 -4.162 1.00 1.77 H new ATOM 161 N GLU A 12 -2.584 12.979 -0.624 1.00 1.13 N ATOM 162 CA GLU A 12 -1.873 11.761 -0.258 1.00 1.03 C ATOM 163 C GLU A 12 -2.501 11.164 0.997 1.00 0.78 C ATOM 164 O GLU A 12 -2.679 9.950 1.088 1.00 0.71 O ATOM 165 CB GLU A 12 -0.393 12.093 -0.017 1.00 1.22 C ATOM 166 CG GLU A 12 0.367 12.391 -1.318 1.00 2.61 C ATOM 167 CD GLU A 12 1.694 13.107 -1.031 1.00 2.94 C ATOM 168 OE1 GLU A 12 2.456 12.585 -0.181 1.00 3.11 O ATOM 169 OE2 GLU A 12 1.929 14.174 -1.645 1.00 3.81 O ATOM 0 H GLU A 12 -1.970 13.794 -0.635 1.00 1.13 H new ATOM 0 HA GLU A 12 -1.944 11.030 -1.064 1.00 1.03 H new ATOM 0 HB2 GLU A 12 -0.322 12.955 0.646 1.00 1.22 H new ATOM 0 HB3 GLU A 12 0.084 11.257 0.494 1.00 1.22 H new ATOM 0 HG2 GLU A 12 0.560 11.460 -1.851 1.00 2.61 H new ATOM 0 HG3 GLU A 12 -0.250 13.010 -1.970 1.00 2.61 H new ATOM 176 N GLY A 13 -2.860 12.022 1.949 1.00 0.88 N ATOM 177 CA GLY A 13 -3.654 11.623 3.104 1.00 0.86 C ATOM 178 C GLY A 13 -4.960 10.966 2.659 1.00 0.76 C ATOM 179 O GLY A 13 -5.233 9.815 2.991 1.00 0.78 O ATOM 0 H GLY A 13 -2.609 13.010 1.940 1.00 0.88 H new ATOM 0 HA2 GLY A 13 -3.084 10.929 3.722 1.00 0.86 H new ATOM 0 HA3 GLY A 13 -3.871 12.495 3.721 1.00 0.86 H new ATOM 183 N PHE A 14 -5.752 11.679 1.859 1.00 0.71 N ATOM 184 CA PHE A 14 -7.076 11.258 1.421 1.00 0.74 C ATOM 185 C PHE A 14 -7.026 9.859 0.808 1.00 0.66 C ATOM 186 O PHE A 14 -7.745 8.954 1.220 1.00 0.82 O ATOM 187 CB PHE A 14 -7.633 12.284 0.415 1.00 0.75 C ATOM 188 CG PHE A 14 -9.077 12.674 0.638 1.00 1.30 C ATOM 189 CD1 PHE A 14 -10.081 11.689 0.677 1.00 1.66 C ATOM 190 CD2 PHE A 14 -9.418 14.032 0.795 1.00 2.88 C ATOM 191 CE1 PHE A 14 -11.423 12.061 0.868 1.00 2.13 C ATOM 192 CE2 PHE A 14 -10.761 14.403 0.980 1.00 3.56 C ATOM 193 CZ PHE A 14 -11.764 13.418 1.017 1.00 2.81 C ATOM 0 H PHE A 14 -5.480 12.590 1.489 1.00 0.71 H new ATOM 0 HA PHE A 14 -7.741 11.213 2.284 1.00 0.74 H new ATOM 0 HB2 PHE A 14 -7.018 13.183 0.457 1.00 0.75 H new ATOM 0 HB3 PHE A 14 -7.533 11.876 -0.591 1.00 0.75 H new ATOM 0 HD1 PHE A 14 -9.821 10.647 0.560 1.00 1.66 H new ATOM 0 HD2 PHE A 14 -8.647 14.788 0.773 1.00 2.88 H new ATOM 0 HE1 PHE A 14 -12.193 11.305 0.900 1.00 2.13 H new ATOM 0 HE2 PHE A 14 -11.023 15.445 1.094 1.00 3.56 H new ATOM 0 HZ PHE A 14 -12.796 13.703 1.160 1.00 2.81 H new ATOM 203 N ILE A 15 -6.178 9.672 -0.200 1.00 0.51 N ATOM 204 CA ILE A 15 -6.056 8.402 -0.896 1.00 0.56 C ATOM 205 C ILE A 15 -5.396 7.328 -0.038 1.00 0.49 C ATOM 206 O ILE A 15 -5.643 6.147 -0.277 1.00 0.55 O ATOM 207 CB ILE A 15 -5.288 8.561 -2.203 1.00 0.57 C ATOM 208 CG1 ILE A 15 -3.848 8.994 -1.922 1.00 0.45 C ATOM 209 CG2 ILE A 15 -6.043 9.499 -3.145 1.00 0.72 C ATOM 210 CD1 ILE A 15 -3.212 9.771 -3.063 1.00 0.81 C ATOM 0 H ILE A 15 -5.557 10.400 -0.555 1.00 0.51 H new ATOM 0 HA ILE A 15 -7.073 8.076 -1.115 1.00 0.56 H new ATOM 0 HB ILE A 15 -5.220 7.602 -2.717 1.00 0.57 H new ATOM 0 HG12 ILE A 15 -3.831 9.608 -1.022 1.00 0.45 H new ATOM 0 HG13 ILE A 15 -3.245 8.110 -1.716 1.00 0.45 H new ATOM 0 HG21 ILE A 15 -5.486 9.606 -4.076 1.00 0.72 H new ATOM 0 HG22 ILE A 15 -7.029 9.085 -3.358 1.00 0.72 H new ATOM 0 HG23 ILE A 15 -6.154 10.476 -2.674 1.00 0.72 H new ATOM 0 HD11 ILE A 15 -2.192 10.045 -2.793 1.00 0.81 H new ATOM 0 HD12 ILE A 15 -3.196 9.152 -3.960 1.00 0.81 H new ATOM 0 HD13 ILE A 15 -3.791 10.674 -3.255 1.00 0.81 H new ATOM 222 N HIS A 16 -4.544 7.702 0.925 1.00 0.42 N ATOM 223 CA HIS A 16 -3.990 6.725 1.852 1.00 0.43 C ATOM 224 C HIS A 16 -5.190 6.075 2.542 1.00 0.54 C ATOM 225 O HIS A 16 -5.390 4.864 2.492 1.00 0.52 O ATOM 226 CB HIS A 16 -3.024 7.406 2.850 1.00 0.46 C ATOM 227 CG HIS A 16 -2.566 6.628 4.074 1.00 0.48 C ATOM 228 ND1 HIS A 16 -1.262 6.582 4.524 1.00 0.60 N ATOM 229 CD2 HIS A 16 -3.346 6.064 5.053 1.00 0.55 C ATOM 230 CE1 HIS A 16 -1.241 5.961 5.718 1.00 0.62 C ATOM 231 NE2 HIS A 16 -2.500 5.647 6.069 1.00 0.60 N ATOM 0 H HIS A 16 -4.231 8.661 1.076 1.00 0.42 H new ATOM 0 HA HIS A 16 -3.393 5.967 1.344 1.00 0.43 H new ATOM 0 HB2 HIS A 16 -2.134 7.704 2.296 1.00 0.46 H new ATOM 0 HB3 HIS A 16 -3.502 8.321 3.200 1.00 0.46 H new ATOM 0 HD1 HIS A 16 -0.450 6.956 4.034 1.00 0.60 H new ATOM 0 HD2 HIS A 16 -4.421 5.964 5.035 1.00 0.55 H new ATOM 0 HE1 HIS A 16 -0.356 5.749 6.300 1.00 0.62 H new ATOM 240 N GLU A 17 -6.012 6.903 3.191 1.00 0.69 N ATOM 241 CA GLU A 17 -7.191 6.468 3.926 1.00 0.86 C ATOM 242 C GLU A 17 -8.117 5.655 3.026 1.00 0.92 C ATOM 243 O GLU A 17 -8.593 4.599 3.434 1.00 0.99 O ATOM 244 CB GLU A 17 -7.905 7.680 4.532 1.00 0.98 C ATOM 245 CG GLU A 17 -7.039 8.317 5.625 1.00 1.12 C ATOM 246 CD GLU A 17 -7.702 9.573 6.188 1.00 1.49 C ATOM 247 OE1 GLU A 17 -8.628 9.402 7.012 1.00 1.87 O ATOM 248 OE2 GLU A 17 -7.271 10.678 5.793 1.00 2.47 O ATOM 0 H GLU A 17 -5.870 7.913 3.218 1.00 0.69 H new ATOM 0 HA GLU A 17 -6.883 5.816 4.744 1.00 0.86 H new ATOM 0 HB2 GLU A 17 -8.117 8.413 3.753 1.00 0.98 H new ATOM 0 HB3 GLU A 17 -8.864 7.374 4.951 1.00 0.98 H new ATOM 0 HG2 GLU A 17 -6.874 7.598 6.428 1.00 1.12 H new ATOM 0 HG3 GLU A 17 -6.060 8.570 5.217 1.00 1.12 H new ATOM 255 N PHE A 18 -8.333 6.104 1.790 1.00 0.91 N ATOM 256 CA PHE A 18 -9.146 5.399 0.810 1.00 1.02 C ATOM 257 C PHE A 18 -8.664 3.966 0.649 1.00 0.93 C ATOM 258 O PHE A 18 -9.463 3.047 0.791 1.00 1.08 O ATOM 259 CB PHE A 18 -9.138 6.166 -0.518 1.00 1.08 C ATOM 260 CG PHE A 18 -10.298 5.846 -1.436 1.00 1.10 C ATOM 261 CD1 PHE A 18 -10.221 4.779 -2.351 1.00 1.84 C ATOM 262 CD2 PHE A 18 -11.454 6.650 -1.396 1.00 2.14 C ATOM 263 CE1 PHE A 18 -11.292 4.526 -3.228 1.00 2.23 C ATOM 264 CE2 PHE A 18 -12.519 6.399 -2.276 1.00 2.22 C ATOM 265 CZ PHE A 18 -12.440 5.338 -3.192 1.00 1.77 C ATOM 0 H PHE A 18 -7.942 6.979 1.441 1.00 0.91 H new ATOM 0 HA PHE A 18 -10.177 5.350 1.159 1.00 1.02 H new ATOM 0 HB2 PHE A 18 -9.144 7.235 -0.305 1.00 1.08 H new ATOM 0 HB3 PHE A 18 -8.207 5.950 -1.042 1.00 1.08 H new ATOM 0 HD1 PHE A 18 -9.340 4.155 -2.380 1.00 1.84 H new ATOM 0 HD2 PHE A 18 -11.521 7.462 -0.687 1.00 2.14 H new ATOM 0 HE1 PHE A 18 -11.232 3.707 -3.930 1.00 2.23 H new ATOM 0 HE2 PHE A 18 -13.400 7.023 -2.248 1.00 2.22 H new ATOM 0 HZ PHE A 18 -13.260 5.145 -3.868 1.00 1.77 H new ATOM 275 N GLY A 19 -7.366 3.757 0.411 1.00 0.73 N ATOM 276 CA GLY A 19 -6.784 2.422 0.349 1.00 0.64 C ATOM 277 C GLY A 19 -7.207 1.576 1.545 1.00 0.61 C ATOM 278 O GLY A 19 -7.578 0.413 1.402 1.00 0.64 O ATOM 0 H GLY A 19 -6.694 4.509 0.257 1.00 0.73 H new ATOM 0 HA2 GLY A 19 -7.093 1.931 -0.574 1.00 0.64 H new ATOM 0 HA3 GLY A 19 -5.697 2.498 0.321 1.00 0.64 H new ATOM 282 N HIS A 20 -7.184 2.168 2.740 1.00 0.61 N ATOM 283 CA HIS A 20 -7.598 1.480 3.947 1.00 0.68 C ATOM 284 C HIS A 20 -9.059 1.055 3.861 1.00 0.80 C ATOM 285 O HIS A 20 -9.376 -0.093 4.154 1.00 0.79 O ATOM 286 CB HIS A 20 -7.334 2.378 5.163 1.00 0.77 C ATOM 287 CG HIS A 20 -7.126 1.626 6.448 1.00 0.83 C ATOM 288 ND1 HIS A 20 -7.875 0.579 6.908 1.00 0.88 N flip ATOM 289 CD2 HIS A 20 -6.135 1.893 7.372 1.00 1.73 C flip ATOM 290 CE1 HIS A 20 -7.337 0.216 8.127 1.00 1.06 C flip ATOM 291 NE2 HIS A 20 -6.283 1.020 8.382 1.00 1.86 N flip ATOM 0 H HIS A 20 -6.879 3.130 2.890 1.00 0.61 H new ATOM 0 HA HIS A 20 -7.013 0.568 4.060 1.00 0.68 H new ATOM 0 HB2 HIS A 20 -6.453 2.989 4.966 1.00 0.77 H new ATOM 0 HB3 HIS A 20 -8.175 3.061 5.286 1.00 0.77 H new ATOM 0 HD2 HIS A 20 -5.380 2.662 7.296 1.00 1.73 H new ATOM 0 HE1 HIS A 20 -7.698 -0.576 8.767 1.00 1.06 H new ATOM 0 HE2 HIS A 20 -5.692 0.972 9.212 1.00 1.86 H new ATOM 300 N ALA A 21 -9.958 1.960 3.477 1.00 0.95 N ATOM 301 CA ALA A 21 -11.363 1.616 3.326 1.00 1.06 C ATOM 302 C ALA A 21 -11.528 0.488 2.304 1.00 1.03 C ATOM 303 O ALA A 21 -12.419 -0.348 2.436 1.00 1.12 O ATOM 304 CB ALA A 21 -12.166 2.858 2.933 1.00 1.19 C ATOM 0 H ALA A 21 -9.735 2.933 3.266 1.00 0.95 H new ATOM 0 HA ALA A 21 -11.750 1.254 4.279 1.00 1.06 H new ATOM 0 HB1 ALA A 21 -13.217 2.592 2.822 1.00 1.19 H new ATOM 0 HB2 ALA A 21 -12.064 3.617 3.708 1.00 1.19 H new ATOM 0 HB3 ALA A 21 -11.790 3.251 1.989 1.00 1.19 H new ATOM 310 N VAL A 22 -10.667 0.428 1.285 1.00 0.94 N ATOM 311 CA VAL A 22 -10.786 -0.647 0.304 1.00 0.93 C ATOM 312 C VAL A 22 -10.456 -2.003 0.917 1.00 0.78 C ATOM 313 O VAL A 22 -11.079 -3.000 0.558 1.00 0.71 O ATOM 314 CB VAL A 22 -9.956 -0.360 -0.962 1.00 0.96 C ATOM 315 CG1 VAL A 22 -10.179 -1.442 -2.025 1.00 1.09 C ATOM 316 CG2 VAL A 22 -10.331 1.000 -1.567 1.00 1.21 C ATOM 0 H VAL A 22 -9.906 1.087 1.122 1.00 0.94 H new ATOM 0 HA VAL A 22 -11.829 -0.688 -0.011 1.00 0.93 H new ATOM 0 HB VAL A 22 -8.908 -0.353 -0.662 1.00 0.96 H new ATOM 0 HG11 VAL A 22 -9.581 -1.214 -2.907 1.00 1.09 H new ATOM 0 HG12 VAL A 22 -9.881 -2.411 -1.625 1.00 1.09 H new ATOM 0 HG13 VAL A 22 -11.234 -1.471 -2.299 1.00 1.09 H new ATOM 0 HG21 VAL A 22 -9.731 1.179 -2.459 1.00 1.21 H new ATOM 0 HG22 VAL A 22 -11.388 1.001 -1.834 1.00 1.21 H new ATOM 0 HG23 VAL A 22 -10.141 1.788 -0.838 1.00 1.21 H new ATOM 326 N ASP A 23 -9.523 -2.053 1.866 1.00 0.75 N ATOM 327 CA ASP A 23 -9.218 -3.278 2.602 1.00 0.65 C ATOM 328 C ASP A 23 -10.473 -3.820 3.295 1.00 0.57 C ATOM 329 O ASP A 23 -10.680 -5.026 3.422 1.00 0.51 O ATOM 330 CB ASP A 23 -8.102 -2.980 3.614 1.00 0.76 C ATOM 331 CG ASP A 23 -7.258 -4.205 3.956 1.00 1.01 C ATOM 332 OD1 ASP A 23 -7.701 -5.332 3.659 1.00 1.90 O ATOM 333 OD2 ASP A 23 -6.158 -4.004 4.517 1.00 1.96 O ATOM 0 H ASP A 23 -8.960 -1.250 2.145 1.00 0.75 H new ATOM 0 HA ASP A 23 -8.876 -4.049 1.912 1.00 0.65 H new ATOM 0 HB2 ASP A 23 -7.454 -2.201 3.212 1.00 0.76 H new ATOM 0 HB3 ASP A 23 -8.545 -2.585 4.528 1.00 0.76 H new ATOM 338 N ASP A 24 -11.350 -2.907 3.708 1.00 0.70 N ATOM 339 CA ASP A 24 -12.572 -3.236 4.423 1.00 0.73 C ATOM 340 C ASP A 24 -13.494 -3.997 3.470 1.00 0.58 C ATOM 341 O ASP A 24 -13.922 -5.124 3.721 1.00 0.60 O ATOM 342 CB ASP A 24 -13.217 -1.944 4.950 1.00 0.95 C ATOM 343 CG ASP A 24 -14.152 -2.187 6.129 1.00 1.24 C ATOM 344 OD1 ASP A 24 -14.984 -3.110 6.025 1.00 2.04 O ATOM 345 OD2 ASP A 24 -14.032 -1.418 7.109 1.00 1.87 O ATOM 0 H ASP A 24 -11.226 -1.907 3.551 1.00 0.70 H new ATOM 0 HA ASP A 24 -12.369 -3.871 5.285 1.00 0.73 H new ATOM 0 HB2 ASP A 24 -12.433 -1.249 5.251 1.00 0.95 H new ATOM 0 HB3 ASP A 24 -13.774 -1.466 4.144 1.00 0.95 H new ATOM 350 N TYR A 25 -13.698 -3.405 2.292 1.00 0.62 N ATOM 351 CA TYR A 25 -14.445 -4.005 1.195 1.00 0.71 C ATOM 352 C TYR A 25 -13.904 -5.396 0.869 1.00 0.71 C ATOM 353 O TYR A 25 -14.668 -6.333 0.640 1.00 0.93 O ATOM 354 CB TYR A 25 -14.380 -3.076 -0.025 1.00 1.00 C ATOM 355 CG TYR A 25 -15.648 -3.079 -0.851 1.00 1.35 C ATOM 356 CD1 TYR A 25 -16.016 -4.225 -1.577 1.00 1.73 C ATOM 357 CD2 TYR A 25 -16.472 -1.939 -0.874 1.00 2.87 C ATOM 358 CE1 TYR A 25 -17.205 -4.232 -2.327 1.00 1.89 C ATOM 359 CE2 TYR A 25 -17.661 -1.939 -1.624 1.00 3.35 C ATOM 360 CZ TYR A 25 -18.033 -3.087 -2.355 1.00 2.32 C ATOM 361 OH TYR A 25 -19.189 -3.082 -3.076 1.00 2.84 O ATOM 0 H TYR A 25 -13.339 -2.476 2.073 1.00 0.62 H new ATOM 0 HA TYR A 25 -15.488 -4.127 1.488 1.00 0.71 H new ATOM 0 HB2 TYR A 25 -14.177 -2.059 0.312 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -13.543 -3.375 -0.656 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -15.385 -5.101 -1.559 1.00 1.73 H new ATOM 0 HD2 TYR A 25 -16.190 -1.060 -0.313 1.00 2.87 H new ATOM 0 HE1 TYR A 25 -17.486 -5.114 -2.883 1.00 1.89 H new ATOM 0 HE2 TYR A 25 -18.289 -1.061 -1.641 1.00 3.35 H new ATOM 0 HH TYR A 25 -19.631 -2.213 -2.979 1.00 2.84 H new ATOM 371 N ALA A 26 -12.579 -5.538 0.839 1.00 0.70 N ATOM 372 CA ALA A 26 -11.940 -6.804 0.540 1.00 0.77 C ATOM 373 C ALA A 26 -12.315 -7.875 1.568 1.00 0.75 C ATOM 374 O ALA A 26 -12.444 -9.031 1.191 1.00 0.95 O ATOM 375 CB ALA A 26 -10.431 -6.611 0.406 1.00 0.91 C ATOM 0 H ALA A 26 -11.926 -4.776 1.022 1.00 0.70 H new ATOM 0 HA ALA A 26 -12.307 -7.169 -0.419 1.00 0.77 H new ATOM 0 HB1 ALA A 26 -9.960 -7.568 0.181 1.00 0.91 H new ATOM 0 HB2 ALA A 26 -10.224 -5.907 -0.400 1.00 0.91 H new ATOM 0 HB3 ALA A 26 -10.030 -6.220 1.341 1.00 0.91 H new ATOM 381 N GLY A 27 -12.527 -7.509 2.833 1.00 0.80 N ATOM 382 CA GLY A 27 -12.943 -8.434 3.882 1.00 1.14 C ATOM 383 C GLY A 27 -14.398 -8.854 3.720 1.00 1.31 C ATOM 384 O GLY A 27 -14.769 -9.976 4.050 1.00 1.65 O ATOM 0 H GLY A 27 -12.413 -6.549 3.159 1.00 0.80 H new ATOM 0 HA2 GLY A 27 -12.305 -9.318 3.862 1.00 1.14 H new ATOM 0 HA3 GLY A 27 -12.806 -7.964 4.856 1.00 1.14 H new ATOM 388 N TYR A 28 -15.242 -7.962 3.204 1.00 1.28 N ATOM 389 CA TYR A 28 -16.646 -8.297 3.038 1.00 1.60 C ATOM 390 C TYR A 28 -16.831 -9.289 1.886 1.00 1.78 C ATOM 391 O TYR A 28 -17.628 -10.220 1.976 1.00 2.15 O ATOM 392 CB TYR A 28 -17.476 -7.021 2.846 1.00 1.55 C ATOM 393 CG TYR A 28 -18.730 -7.043 3.692 1.00 1.82 C ATOM 394 CD1 TYR A 28 -19.875 -7.728 3.245 1.00 2.21 C ATOM 395 CD2 TYR A 28 -18.721 -6.440 4.963 1.00 1.89 C ATOM 396 CE1 TYR A 28 -21.022 -7.794 4.057 1.00 2.48 C ATOM 397 CE2 TYR A 28 -19.863 -6.500 5.780 1.00 2.25 C ATOM 398 CZ TYR A 28 -21.018 -7.176 5.331 1.00 2.46 C ATOM 399 OH TYR A 28 -22.117 -7.236 6.135 1.00 2.81 O ATOM 0 H TYR A 28 -14.982 -7.023 2.901 1.00 1.28 H new ATOM 0 HA TYR A 28 -17.007 -8.788 3.942 1.00 1.60 H new ATOM 0 HB2 TYR A 28 -16.874 -6.151 3.108 1.00 1.55 H new ATOM 0 HB3 TYR A 28 -17.746 -6.916 1.795 1.00 1.55 H new ATOM 0 HD1 TYR A 28 -19.873 -8.204 2.276 1.00 2.21 H new ATOM 0 HD2 TYR A 28 -17.835 -5.930 5.312 1.00 1.89 H new ATOM 0 HE1 TYR A 28 -21.902 -8.314 3.710 1.00 2.48 H new ATOM 0 HE2 TYR A 28 -19.857 -6.029 6.752 1.00 2.25 H new ATOM 0 HH TYR A 28 -21.937 -6.759 6.972 1.00 2.81 H new ATOM 409 N LEU A 29 -16.150 -9.051 0.764 1.00 1.63 N ATOM 410 CA LEU A 29 -16.292 -9.827 -0.453 1.00 1.95 C ATOM 411 C LEU A 29 -15.445 -11.086 -0.450 1.00 2.10 C ATOM 412 O LEU A 29 -15.821 -12.069 -1.086 1.00 2.45 O ATOM 413 CB LEU A 29 -15.848 -8.962 -1.631 1.00 1.91 C ATOM 414 CG LEU A 29 -16.894 -7.906 -2.027 1.00 1.98 C ATOM 415 CD1 LEU A 29 -17.993 -8.613 -2.801 1.00 2.54 C ATOM 416 CD2 LEU A 29 -17.614 -7.178 -0.887 1.00 1.64 C ATOM 0 H LEU A 29 -15.471 -8.294 0.682 1.00 1.63 H new ATOM 0 HA LEU A 29 -17.337 -10.127 -0.530 1.00 1.95 H new ATOM 0 HB2 LEU A 29 -14.913 -8.462 -1.376 1.00 1.91 H new ATOM 0 HB3 LEU A 29 -15.643 -9.603 -2.489 1.00 1.91 H new ATOM 0 HG LEU A 29 -16.324 -7.154 -2.573 1.00 1.98 H new ATOM 0 HD11 LEU A 29 -18.753 -7.890 -3.097 1.00 2.54 H new ATOM 0 HD12 LEU A 29 -17.569 -9.079 -3.691 1.00 2.54 H new ATOM 0 HD13 LEU A 29 -18.447 -9.378 -2.171 1.00 2.54 H new ATOM 0 HD21 LEU A 29 -18.323 -6.462 -1.303 1.00 1.64 H new ATOM 0 HD22 LEU A 29 -18.148 -7.903 -0.273 1.00 1.64 H new ATOM 0 HD23 LEU A 29 -16.884 -6.650 -0.274 1.00 1.64 H new ATOM 428 N LEU A 30 -14.260 -11.025 0.156 1.00 1.89 N ATOM 429 CA LEU A 30 -13.269 -12.077 0.057 1.00 2.04 C ATOM 430 C LEU A 30 -12.891 -12.501 1.470 1.00 2.06 C ATOM 431 O LEU A 30 -13.179 -11.798 2.431 1.00 2.26 O ATOM 432 CB LEU A 30 -12.016 -11.611 -0.697 1.00 1.93 C ATOM 433 CG LEU A 30 -12.275 -11.007 -2.083 1.00 2.05 C ATOM 434 CD1 LEU A 30 -11.370 -9.787 -2.265 1.00 1.89 C ATOM 435 CD2 LEU A 30 -11.987 -12.027 -3.182 1.00 2.57 C ATOM 0 H LEU A 30 -13.966 -10.236 0.731 1.00 1.89 H new ATOM 0 HA LEU A 30 -13.691 -12.911 -0.503 1.00 2.04 H new ATOM 0 HB2 LEU A 30 -11.498 -10.871 -0.087 1.00 1.93 H new ATOM 0 HB3 LEU A 30 -11.342 -12.460 -0.808 1.00 1.93 H new ATOM 0 HG LEU A 30 -13.323 -10.715 -2.155 1.00 2.05 H new ATOM 0 HD11 LEU A 30 -11.544 -9.348 -3.247 1.00 1.89 H new ATOM 0 HD12 LEU A 30 -11.593 -9.050 -1.493 1.00 1.89 H new ATOM 0 HD13 LEU A 30 -10.327 -10.093 -2.184 1.00 1.89 H new ATOM 0 HD21 LEU A 30 -12.178 -11.576 -4.156 1.00 2.57 H new ATOM 0 HD22 LEU A 30 -10.944 -12.339 -3.125 1.00 2.57 H new ATOM 0 HD23 LEU A 30 -12.633 -12.895 -3.051 1.00 2.57 H new ATOM 447 N ASP A 31 -12.217 -13.644 1.581 1.00 2.78 N ATOM 448 CA ASP A 31 -12.067 -14.379 2.831 1.00 3.05 C ATOM 449 C ASP A 31 -13.425 -14.957 3.251 1.00 3.32 C ATOM 450 O ASP A 31 -14.471 -14.584 2.720 1.00 4.01 O ATOM 451 CB ASP A 31 -11.366 -13.549 3.924 1.00 3.24 C ATOM 452 CG ASP A 31 -10.474 -14.456 4.775 1.00 3.99 C ATOM 453 OD1 ASP A 31 -11.055 -15.330 5.463 1.00 4.41 O ATOM 454 OD2 ASP A 31 -9.231 -14.347 4.641 1.00 4.77 O ATOM 0 H ASP A 31 -11.753 -14.091 0.790 1.00 2.78 H new ATOM 0 HA ASP A 31 -11.393 -15.221 2.672 1.00 3.05 H new ATOM 0 HB2 ASP A 31 -10.767 -12.761 3.467 1.00 3.24 H new ATOM 0 HB3 ASP A 31 -12.109 -13.060 4.554 1.00 3.24 H new ATOM 459 N LYS A 32 -13.425 -15.943 4.145 1.00 3.60 N ATOM 460 CA LYS A 32 -14.646 -16.578 4.633 1.00 4.50 C ATOM 461 C LYS A 32 -14.675 -16.607 6.157 1.00 4.76 C ATOM 462 O LYS A 32 -15.678 -17.018 6.736 1.00 5.65 O ATOM 463 CB LYS A 32 -14.782 -17.997 4.049 1.00 5.53 C ATOM 464 CG LYS A 32 -16.171 -18.222 3.444 1.00 6.40 C ATOM 465 CD LYS A 32 -16.287 -17.528 2.081 1.00 7.22 C ATOM 466 CE LYS A 32 -17.730 -17.507 1.569 1.00 8.28 C ATOM 467 NZ LYS A 32 -18.278 -18.867 1.377 1.00 8.96 N ATOM 0 H LYS A 32 -12.572 -16.326 4.553 1.00 3.60 H new ATOM 0 HA LYS A 32 -15.498 -15.987 4.298 1.00 4.50 H new ATOM 0 HB2 LYS A 32 -14.021 -18.152 3.284 1.00 5.53 H new ATOM 0 HB3 LYS A 32 -14.601 -18.733 4.832 1.00 5.53 H new ATOM 0 HG2 LYS A 32 -16.355 -19.290 3.331 1.00 6.40 H new ATOM 0 HG3 LYS A 32 -16.934 -17.837 4.120 1.00 6.40 H new ATOM 0 HD2 LYS A 32 -15.916 -16.506 2.162 1.00 7.22 H new ATOM 0 HD3 LYS A 32 -15.653 -18.041 1.358 1.00 7.22 H new ATOM 0 HE2 LYS A 32 -18.356 -16.962 2.276 1.00 8.28 H new ATOM 0 HE3 LYS A 32 -17.770 -16.965 0.624 1.00 8.28 H new ATOM 0 HZ1 LYS A 32 -19.231 -18.802 0.966 1.00 8.96 H new ATOM 0 HZ2 LYS A 32 -17.660 -19.403 0.735 1.00 8.96 H new ATOM 0 HZ3 LYS A 32 -18.329 -19.353 2.295 1.00 8.96 H new ATOM 481 N ASN A 33 -13.578 -16.226 6.809 1.00 4.53 N ATOM 482 CA ASN A 33 -13.516 -16.161 8.252 1.00 4.86 C ATOM 483 C ASN A 33 -14.060 -14.801 8.688 1.00 4.70 C ATOM 484 O ASN A 33 -14.166 -13.885 7.879 1.00 4.95 O ATOM 485 CB ASN A 33 -12.051 -16.353 8.670 1.00 5.28 C ATOM 486 CG ASN A 33 -11.908 -16.719 10.139 1.00 5.96 C ATOM 487 OD1 ASN A 33 -12.893 -16.894 10.849 1.00 6.47 O ATOM 488 ND2 ASN A 33 -10.683 -16.862 10.616 1.00 6.45 N ATOM 0 H ASN A 33 -12.712 -15.955 6.344 1.00 4.53 H new ATOM 0 HA ASN A 33 -14.115 -16.938 8.727 1.00 4.86 H new ATOM 0 HB2 ASN A 33 -11.602 -17.135 8.059 1.00 5.28 H new ATOM 0 HB3 ASN A 33 -11.497 -15.436 8.472 1.00 5.28 H new ATOM 0 HD21 ASN A 33 -10.543 -17.123 11.592 1.00 6.45 H new ATOM 0 HD22 ASN A 33 -9.878 -16.712 10.008 1.00 6.45 H new ATOM 495 N GLN A 34 -14.356 -14.634 9.974 1.00 4.87 N ATOM 496 CA GLN A 34 -14.756 -13.349 10.540 1.00 5.09 C ATOM 497 C GLN A 34 -13.631 -12.302 10.495 1.00 4.57 C ATOM 498 O GLN A 34 -13.850 -11.147 10.848 1.00 4.97 O ATOM 499 CB GLN A 34 -15.280 -13.573 11.965 1.00 5.89 C ATOM 500 CG GLN A 34 -14.236 -14.141 12.944 1.00 6.30 C ATOM 501 CD GLN A 34 -13.381 -13.060 13.596 1.00 6.28 C ATOM 502 OE1 GLN A 34 -12.224 -12.859 13.233 1.00 6.45 O ATOM 503 NE2 GLN A 34 -13.937 -12.370 14.586 1.00 6.76 N ATOM 0 H GLN A 34 -14.325 -15.391 10.657 1.00 4.87 H new ATOM 0 HA GLN A 34 -15.555 -12.934 9.925 1.00 5.09 H new ATOM 0 HB2 GLN A 34 -15.650 -12.625 12.356 1.00 5.89 H new ATOM 0 HB3 GLN A 34 -16.130 -14.254 11.924 1.00 5.89 H new ATOM 0 HG2 GLN A 34 -14.746 -14.711 13.721 1.00 6.30 H new ATOM 0 HG3 GLN A 34 -13.588 -14.837 12.412 1.00 6.30 H new ATOM 0 HE21 GLN A 34 -14.900 -12.561 14.863 1.00 6.76 H new ATOM 0 HE22 GLN A 34 -13.401 -11.649 15.069 1.00 6.76 H new ATOM 512 N SER A 35 -12.422 -12.696 10.099 1.00 4.18 N ATOM 513 CA SER A 35 -11.300 -11.796 9.935 1.00 4.11 C ATOM 514 C SER A 35 -11.494 -10.916 8.700 1.00 3.77 C ATOM 515 O SER A 35 -11.031 -11.255 7.614 1.00 4.61 O ATOM 516 CB SER A 35 -10.034 -12.645 9.828 1.00 5.08 C ATOM 517 OG SER A 35 -10.030 -13.583 10.895 1.00 6.14 O ATOM 0 H SER A 35 -12.199 -13.667 9.881 1.00 4.18 H new ATOM 0 HA SER A 35 -11.218 -11.124 10.789 1.00 4.11 H new ATOM 0 HB2 SER A 35 -10.004 -13.162 8.869 1.00 5.08 H new ATOM 0 HB3 SER A 35 -9.148 -12.012 9.877 1.00 5.08 H new ATOM 0 HG SER A 35 -9.224 -14.138 10.840 1.00 6.14 H new ATOM 523 N ASP A 36 -12.159 -9.773 8.877 1.00 3.25 N ATOM 524 CA ASP A 36 -12.179 -8.708 7.878 1.00 3.27 C ATOM 525 C ASP A 36 -10.763 -8.160 7.663 1.00 2.22 C ATOM 526 O ASP A 36 -9.863 -8.432 8.458 1.00 2.83 O ATOM 527 CB ASP A 36 -13.118 -7.578 8.324 1.00 4.28 C ATOM 528 CG ASP A 36 -14.576 -7.898 8.014 1.00 5.79 C ATOM 529 OD1 ASP A 36 -14.873 -8.008 6.805 1.00 6.88 O ATOM 530 OD2 ASP A 36 -15.361 -8.012 8.982 1.00 6.33 O ATOM 0 H ASP A 36 -12.698 -9.562 9.717 1.00 3.25 H new ATOM 0 HA ASP A 36 -12.546 -9.118 6.937 1.00 3.27 H new ATOM 0 HB2 ASP A 36 -13.002 -7.411 9.395 1.00 4.28 H new ATOM 0 HB3 ASP A 36 -12.835 -6.652 7.824 1.00 4.28 H new ATOM 535 N LEU A 37 -10.601 -7.342 6.613 1.00 2.02 N ATOM 536 CA LEU A 37 -9.346 -6.808 6.085 1.00 1.32 C ATOM 537 C LEU A 37 -8.506 -7.920 5.451 1.00 1.30 C ATOM 538 O LEU A 37 -7.911 -8.757 6.129 1.00 1.52 O ATOM 539 CB LEU A 37 -8.559 -5.961 7.102 1.00 1.43 C ATOM 540 CG LEU A 37 -9.093 -4.524 7.214 1.00 1.43 C ATOM 541 CD1 LEU A 37 -10.364 -4.433 8.061 1.00 1.76 C ATOM 542 CD2 LEU A 37 -8.031 -3.613 7.839 1.00 2.10 C ATOM 0 H LEU A 37 -11.404 -7.015 6.075 1.00 2.02 H new ATOM 0 HA LEU A 37 -9.608 -6.104 5.295 1.00 1.32 H new ATOM 0 HB2 LEU A 37 -8.605 -6.439 8.080 1.00 1.43 H new ATOM 0 HB3 LEU A 37 -7.509 -5.933 6.810 1.00 1.43 H new ATOM 0 HG LEU A 37 -9.332 -4.203 6.200 1.00 1.43 H new ATOM 0 HD11 LEU A 37 -10.697 -3.396 8.107 1.00 1.76 H new ATOM 0 HD12 LEU A 37 -11.145 -5.046 7.612 1.00 1.76 H new ATOM 0 HD13 LEU A 37 -10.156 -4.792 9.069 1.00 1.76 H new ATOM 0 HD21 LEU A 37 -8.421 -2.598 7.913 1.00 2.10 H new ATOM 0 HD22 LEU A 37 -7.778 -3.978 8.834 1.00 2.10 H new ATOM 0 HD23 LEU A 37 -7.138 -3.614 7.215 1.00 2.10 H new ATOM 554 N VAL A 38 -8.451 -7.934 4.119 1.00 1.21 N ATOM 555 CA VAL A 38 -7.675 -8.910 3.370 1.00 1.32 C ATOM 556 C VAL A 38 -6.256 -8.379 3.226 1.00 1.64 C ATOM 557 O VAL A 38 -5.806 -7.944 2.168 1.00 2.63 O ATOM 558 CB VAL A 38 -8.378 -9.260 2.054 1.00 1.36 C ATOM 559 CG1 VAL A 38 -7.508 -10.096 1.108 1.00 2.98 C ATOM 560 CG2 VAL A 38 -9.593 -10.102 2.438 1.00 2.35 C ATOM 0 H VAL A 38 -8.947 -7.264 3.531 1.00 1.21 H new ATOM 0 HA VAL A 38 -7.603 -9.861 3.897 1.00 1.32 H new ATOM 0 HB VAL A 38 -8.623 -8.337 1.529 1.00 1.36 H new ATOM 0 HG11 VAL A 38 -8.064 -10.310 0.195 1.00 2.98 H new ATOM 0 HG12 VAL A 38 -6.603 -9.541 0.860 1.00 2.98 H new ATOM 0 HG13 VAL A 38 -7.237 -11.033 1.595 1.00 2.98 H new ATOM 0 HG21 VAL A 38 -10.139 -10.385 1.538 1.00 2.35 H new ATOM 0 HG22 VAL A 38 -9.263 -11.000 2.959 1.00 2.35 H new ATOM 0 HG23 VAL A 38 -10.245 -9.523 3.091 1.00 2.35 H new ATOM 570 N THR A 39 -5.516 -8.485 4.320 1.00 1.64 N ATOM 571 CA THR A 39 -4.164 -7.991 4.399 1.00 1.79 C ATOM 572 C THR A 39 -3.249 -9.205 4.561 1.00 2.05 C ATOM 573 O THR A 39 -3.363 -9.941 5.535 1.00 2.62 O ATOM 574 CB THR A 39 -4.085 -7.025 5.582 1.00 1.97 C ATOM 575 OG1 THR A 39 -5.310 -6.364 5.812 1.00 3.18 O ATOM 576 CG2 THR A 39 -3.003 -5.977 5.353 1.00 3.31 C ATOM 0 H THR A 39 -5.847 -8.921 5.181 1.00 1.64 H new ATOM 0 HA THR A 39 -3.853 -7.445 3.508 1.00 1.79 H new ATOM 0 HB THR A 39 -3.844 -7.628 6.457 1.00 1.97 H new ATOM 0 HG1 THR A 39 -5.373 -5.579 5.229 1.00 3.18 H new ATOM 0 HG21 THR A 39 -2.965 -5.301 6.207 1.00 3.31 H new ATOM 0 HG22 THR A 39 -2.038 -6.470 5.237 1.00 3.31 H new ATOM 0 HG23 THR A 39 -3.231 -5.409 4.451 1.00 3.31 H new ATOM 584 N ASN A 40 -2.376 -9.453 3.578 1.00 2.90 N ATOM 585 CA ASN A 40 -1.439 -10.581 3.548 1.00 3.50 C ATOM 586 C ASN A 40 -2.032 -11.911 4.019 1.00 2.71 C ATOM 587 O ASN A 40 -1.402 -12.612 4.805 1.00 3.15 O ATOM 588 CB ASN A 40 -0.154 -10.222 4.306 1.00 4.65 C ATOM 589 CG ASN A 40 0.692 -9.283 3.470 1.00 6.11 C ATOM 590 OD1 ASN A 40 1.306 -9.730 2.512 1.00 6.93 O ATOM 591 ND2 ASN A 40 0.720 -7.996 3.770 1.00 6.91 N ATOM 0 H ASN A 40 -2.300 -8.855 2.755 1.00 2.90 H new ATOM 0 HA ASN A 40 -1.198 -10.752 2.499 1.00 3.50 H new ATOM 0 HB2 ASN A 40 -0.402 -9.752 5.258 1.00 4.65 H new ATOM 0 HB3 ASN A 40 0.409 -11.127 4.534 1.00 4.65 H new ATOM 0 HD21 ASN A 40 1.263 -7.350 3.197 1.00 6.91 H new ATOM 0 HD22 ASN A 40 0.199 -7.649 4.575 1.00 6.91 H new ATOM 598 N SER A 41 -3.183 -12.307 3.465 1.00 2.22 N ATOM 599 CA SER A 41 -3.818 -13.585 3.783 1.00 1.88 C ATOM 600 C SER A 41 -2.913 -14.760 3.373 1.00 2.30 C ATOM 601 O SER A 41 -2.289 -15.385 4.225 1.00 3.14 O ATOM 602 CB SER A 41 -5.224 -13.630 3.158 1.00 2.28 C ATOM 603 OG SER A 41 -5.945 -14.768 3.585 1.00 2.96 O ATOM 0 H SER A 41 -3.698 -11.749 2.784 1.00 2.22 H new ATOM 0 HA SER A 41 -3.950 -13.683 4.860 1.00 1.88 H new ATOM 0 HB2 SER A 41 -5.773 -12.728 3.429 1.00 2.28 H new ATOM 0 HB3 SER A 41 -5.140 -13.638 2.071 1.00 2.28 H new ATOM 0 HG SER A 41 -6.834 -14.766 3.172 1.00 2.96 H new ATOM 609 N LYS A 42 -2.791 -15.065 2.072 1.00 2.64 N ATOM 610 CA LYS A 42 -2.094 -16.270 1.595 1.00 3.27 C ATOM 611 C LYS A 42 -0.678 -16.400 2.156 1.00 2.89 C ATOM 612 O LYS A 42 -0.297 -17.442 2.677 1.00 3.58 O ATOM 613 CB LYS A 42 -2.054 -16.308 0.055 1.00 4.23 C ATOM 614 CG LYS A 42 -2.623 -17.626 -0.478 1.00 5.29 C ATOM 615 CD LYS A 42 -2.470 -17.685 -2.002 1.00 5.86 C ATOM 616 CE LYS A 42 -3.165 -18.937 -2.549 1.00 6.70 C ATOM 617 NZ LYS A 42 -3.907 -18.658 -3.799 1.00 7.16 N ATOM 0 H LYS A 42 -3.171 -14.486 1.323 1.00 2.64 H new ATOM 0 HA LYS A 42 -2.668 -17.120 1.964 1.00 3.27 H new ATOM 0 HB2 LYS A 42 -2.626 -15.472 -0.348 1.00 4.23 H new ATOM 0 HB3 LYS A 42 -1.027 -16.186 -0.288 1.00 4.23 H new ATOM 0 HG2 LYS A 42 -2.104 -18.468 -0.019 1.00 5.29 H new ATOM 0 HG3 LYS A 42 -3.675 -17.714 -0.206 1.00 5.29 H new ATOM 0 HD2 LYS A 42 -2.902 -16.792 -2.454 1.00 5.86 H new ATOM 0 HD3 LYS A 42 -1.413 -17.699 -2.270 1.00 5.86 H new ATOM 0 HE2 LYS A 42 -2.422 -19.713 -2.734 1.00 6.70 H new ATOM 0 HE3 LYS A 42 -3.853 -19.327 -1.799 1.00 6.70 H new ATOM 0 HZ1 LYS A 42 -4.362 -19.531 -4.135 1.00 7.16 H new ATOM 0 HZ2 LYS A 42 -4.634 -17.937 -3.618 1.00 7.16 H new ATOM 0 HZ3 LYS A 42 -3.247 -18.310 -4.524 1.00 7.16 H new ATOM 631 N LYS A 43 0.127 -15.356 1.958 1.00 2.62 N ATOM 632 CA LYS A 43 1.518 -15.323 2.402 1.00 2.68 C ATOM 633 C LYS A 43 1.633 -15.190 3.920 1.00 2.14 C ATOM 634 O LYS A 43 2.668 -15.547 4.464 1.00 2.95 O ATOM 635 CB LYS A 43 2.309 -14.238 1.657 1.00 3.28 C ATOM 636 CG LYS A 43 1.655 -12.845 1.678 1.00 4.85 C ATOM 637 CD LYS A 43 1.703 -12.133 0.318 1.00 5.88 C ATOM 638 CE LYS A 43 0.729 -12.671 -0.740 1.00 6.98 C ATOM 639 NZ LYS A 43 1.301 -13.756 -1.568 1.00 7.14 N ATOM 0 H LYS A 43 -0.171 -14.505 1.482 1.00 2.62 H new ATOM 0 HA LYS A 43 1.969 -16.282 2.148 1.00 2.68 H new ATOM 0 HB2 LYS A 43 3.304 -14.165 2.096 1.00 3.28 H new ATOM 0 HB3 LYS A 43 2.440 -14.549 0.620 1.00 3.28 H new ATOM 0 HG2 LYS A 43 0.616 -12.943 1.993 1.00 4.85 H new ATOM 0 HG3 LYS A 43 2.156 -12.227 2.422 1.00 4.85 H new ATOM 0 HD2 LYS A 43 1.496 -11.074 0.473 1.00 5.88 H new ATOM 0 HD3 LYS A 43 2.717 -12.205 -0.076 1.00 5.88 H new ATOM 0 HE2 LYS A 43 -0.169 -13.038 -0.243 1.00 6.98 H new ATOM 0 HE3 LYS A 43 0.421 -11.852 -1.390 1.00 6.98 H new ATOM 0 HZ1 LYS A 43 0.835 -13.765 -2.498 1.00 7.14 H new ATOM 0 HZ2 LYS A 43 2.321 -13.596 -1.693 1.00 7.14 H new ATOM 0 HZ3 LYS A 43 1.149 -14.670 -1.096 1.00 7.14 H new ATOM 653 N PHE A 44 0.574 -14.723 4.586 1.00 1.73 N ATOM 654 CA PHE A 44 0.429 -14.707 6.030 1.00 1.60 C ATOM 655 C PHE A 44 1.469 -13.813 6.707 1.00 1.40 C ATOM 656 O PHE A 44 2.498 -14.287 7.168 1.00 2.04 O ATOM 657 CB PHE A 44 0.358 -16.144 6.571 1.00 2.28 C ATOM 658 CG PHE A 44 -0.724 -16.297 7.615 1.00 2.89 C ATOM 659 CD1 PHE A 44 -0.485 -15.913 8.946 1.00 3.84 C ATOM 660 CD2 PHE A 44 -1.998 -16.757 7.235 1.00 3.75 C ATOM 661 CE1 PHE A 44 -1.519 -15.989 9.895 1.00 4.92 C ATOM 662 CE2 PHE A 44 -3.030 -16.842 8.185 1.00 4.69 C ATOM 663 CZ PHE A 44 -2.792 -16.455 9.515 1.00 5.07 C ATOM 0 H PHE A 44 -0.236 -14.331 4.106 1.00 1.73 H new ATOM 0 HA PHE A 44 -0.521 -14.239 6.289 1.00 1.60 H new ATOM 0 HB2 PHE A 44 0.169 -16.833 5.748 1.00 2.28 H new ATOM 0 HB3 PHE A 44 1.321 -16.418 7.002 1.00 2.28 H new ATOM 0 HD1 PHE A 44 0.493 -15.560 9.239 1.00 3.84 H new ATOM 0 HD2 PHE A 44 -2.183 -17.045 6.211 1.00 3.75 H new ATOM 0 HE1 PHE A 44 -1.337 -15.690 10.917 1.00 4.92 H new ATOM 0 HE2 PHE A 44 -4.005 -17.204 7.893 1.00 4.69 H new ATOM 0 HZ PHE A 44 -3.585 -16.515 10.245 1.00 5.07 H new ATOM 673 N ILE A 45 1.156 -12.512 6.797 1.00 0.96 N ATOM 674 CA ILE A 45 1.998 -11.461 7.379 1.00 0.99 C ATOM 675 C ILE A 45 3.474 -11.621 6.973 1.00 1.08 C ATOM 676 O ILE A 45 4.325 -12.006 7.768 1.00 1.86 O ATOM 677 CB ILE A 45 1.732 -11.313 8.898 1.00 1.28 C ATOM 678 CG1 ILE A 45 2.546 -10.141 9.472 1.00 1.68 C ATOM 679 CG2 ILE A 45 1.977 -12.588 9.723 1.00 2.28 C ATOM 680 CD1 ILE A 45 2.002 -9.643 10.817 1.00 2.36 C ATOM 0 H ILE A 45 0.268 -12.149 6.450 1.00 0.96 H new ATOM 0 HA ILE A 45 1.715 -10.498 6.954 1.00 0.99 H new ATOM 0 HB ILE A 45 0.664 -11.111 8.986 1.00 1.28 H new ATOM 0 HG12 ILE A 45 3.583 -10.452 9.597 1.00 1.68 H new ATOM 0 HG13 ILE A 45 2.544 -9.318 8.757 1.00 1.68 H new ATOM 0 HG21 ILE A 45 1.765 -12.388 10.773 1.00 2.28 H new ATOM 0 HG22 ILE A 45 1.323 -13.384 9.366 1.00 2.28 H new ATOM 0 HG23 ILE A 45 3.017 -12.897 9.615 1.00 2.28 H new ATOM 0 HD11 ILE A 45 2.616 -8.816 11.174 1.00 2.36 H new ATOM 0 HD12 ILE A 45 0.974 -9.304 10.691 1.00 2.36 H new ATOM 0 HD13 ILE A 45 2.029 -10.455 11.544 1.00 2.36 H new ATOM 692 N ASP A 46 3.783 -11.280 5.717 1.00 0.83 N ATOM 693 CA ASP A 46 5.087 -11.549 5.105 1.00 0.73 C ATOM 694 C ASP A 46 5.594 -10.323 4.349 1.00 0.57 C ATOM 695 O ASP A 46 6.653 -9.788 4.661 1.00 0.51 O ATOM 696 CB ASP A 46 4.958 -12.748 4.167 1.00 0.82 C ATOM 697 CG ASP A 46 6.230 -12.956 3.350 1.00 1.13 C ATOM 698 OD1 ASP A 46 7.264 -13.281 3.971 1.00 2.11 O ATOM 699 OD2 ASP A 46 6.141 -12.770 2.115 1.00 2.06 O ATOM 0 H ASP A 46 3.130 -10.806 5.093 1.00 0.83 H new ATOM 0 HA ASP A 46 5.812 -11.777 5.886 1.00 0.73 H new ATOM 0 HB2 ASP A 46 4.747 -13.645 4.748 1.00 0.82 H new ATOM 0 HB3 ASP A 46 4.113 -12.597 3.495 1.00 0.82 H new ATOM 704 N ILE A 47 4.802 -9.814 3.401 1.00 0.57 N ATOM 705 CA ILE A 47 5.131 -8.594 2.668 1.00 0.55 C ATOM 706 C ILE A 47 5.346 -7.451 3.667 1.00 0.52 C ATOM 707 O ILE A 47 6.300 -6.679 3.604 1.00 0.55 O ATOM 708 CB ILE A 47 3.984 -8.267 1.695 1.00 0.59 C ATOM 709 CG1 ILE A 47 3.642 -9.381 0.698 1.00 0.60 C ATOM 710 CG2 ILE A 47 4.262 -6.974 0.946 1.00 0.69 C ATOM 711 CD1 ILE A 47 4.561 -9.376 -0.508 1.00 0.61 C ATOM 0 H ILE A 47 3.917 -10.237 3.122 1.00 0.57 H new ATOM 0 HA ILE A 47 6.047 -8.729 2.093 1.00 0.55 H new ATOM 0 HB ILE A 47 3.106 -8.157 2.331 1.00 0.59 H new ATOM 0 HG12 ILE A 47 3.709 -10.347 1.199 1.00 0.60 H new ATOM 0 HG13 ILE A 47 2.610 -9.265 0.366 1.00 0.60 H new ATOM 0 HG21 ILE A 47 3.438 -6.764 0.265 1.00 0.69 H new ATOM 0 HG22 ILE A 47 4.362 -6.155 1.658 1.00 0.69 H new ATOM 0 HG23 ILE A 47 5.186 -7.075 0.377 1.00 0.69 H new ATOM 0 HD11 ILE A 47 4.278 -10.183 -1.184 1.00 0.61 H new ATOM 0 HD12 ILE A 47 4.475 -8.421 -1.027 1.00 0.61 H new ATOM 0 HD13 ILE A 47 5.591 -9.520 -0.181 1.00 0.61 H new ATOM 723 N PHE A 48 4.435 -7.323 4.627 1.00 0.50 N ATOM 724 CA PHE A 48 4.569 -6.317 5.664 1.00 0.49 C ATOM 725 C PHE A 48 5.802 -6.548 6.536 1.00 0.49 C ATOM 726 O PHE A 48 6.273 -5.633 7.202 1.00 0.58 O ATOM 727 CB PHE A 48 3.301 -6.330 6.513 1.00 0.52 C ATOM 728 CG PHE A 48 3.410 -5.483 7.762 1.00 0.52 C ATOM 729 CD1 PHE A 48 3.760 -4.131 7.649 1.00 0.52 C ATOM 730 CD2 PHE A 48 3.276 -6.060 9.035 1.00 0.56 C ATOM 731 CE1 PHE A 48 3.997 -3.364 8.794 1.00 0.56 C ATOM 732 CE2 PHE A 48 3.432 -5.273 10.190 1.00 0.59 C ATOM 733 CZ PHE A 48 3.818 -3.927 10.070 1.00 0.59 C ATOM 0 H PHE A 48 3.600 -7.904 4.705 1.00 0.50 H new ATOM 0 HA PHE A 48 4.702 -5.343 5.193 1.00 0.49 H new ATOM 0 HB2 PHE A 48 2.465 -5.973 5.911 1.00 0.52 H new ATOM 0 HB3 PHE A 48 3.073 -7.357 6.797 1.00 0.52 H new ATOM 0 HD1 PHE A 48 3.847 -3.679 6.672 1.00 0.52 H new ATOM 0 HD2 PHE A 48 3.052 -7.112 9.128 1.00 0.56 H new ATOM 0 HE1 PHE A 48 4.318 -2.337 8.698 1.00 0.56 H new ATOM 0 HE2 PHE A 48 3.256 -5.701 11.166 1.00 0.59 H new ATOM 0 HZ PHE A 48 3.977 -3.328 10.954 1.00 0.59 H new ATOM 743 N LYS A 49 6.325 -7.767 6.616 1.00 0.46 N ATOM 744 CA LYS A 49 7.489 -7.966 7.454 1.00 0.46 C ATOM 745 C LYS A 49 8.712 -7.333 6.817 1.00 0.43 C ATOM 746 O LYS A 49 9.438 -6.622 7.505 1.00 0.46 O ATOM 747 CB LYS A 49 7.723 -9.445 7.776 1.00 0.50 C ATOM 748 CG LYS A 49 6.568 -10.051 8.579 1.00 0.69 C ATOM 749 CD LYS A 49 6.388 -9.386 9.951 1.00 1.08 C ATOM 750 CE LYS A 49 5.509 -8.135 9.829 1.00 0.79 C ATOM 751 NZ LYS A 49 6.068 -6.957 10.530 1.00 1.43 N ATOM 0 H LYS A 49 5.977 -8.595 6.133 1.00 0.46 H new ATOM 0 HA LYS A 49 7.302 -7.470 8.406 1.00 0.46 H new ATOM 0 HB2 LYS A 49 7.849 -10.002 6.848 1.00 0.50 H new ATOM 0 HB3 LYS A 49 8.650 -9.550 8.340 1.00 0.50 H new ATOM 0 HG2 LYS A 49 5.644 -9.954 8.009 1.00 0.69 H new ATOM 0 HG3 LYS A 49 6.747 -11.117 8.717 1.00 0.69 H new ATOM 0 HD2 LYS A 49 5.933 -10.091 10.647 1.00 1.08 H new ATOM 0 HD3 LYS A 49 7.361 -9.116 10.361 1.00 1.08 H new ATOM 0 HE2 LYS A 49 5.377 -7.893 8.774 1.00 0.79 H new ATOM 0 HE3 LYS A 49 4.520 -8.353 10.232 1.00 0.79 H new ATOM 0 HZ1 LYS A 49 5.412 -6.155 10.439 1.00 1.43 H new ATOM 0 HZ2 LYS A 49 6.201 -7.183 11.536 1.00 1.43 H new ATOM 0 HZ3 LYS A 49 6.984 -6.704 10.108 1.00 1.43 H new ATOM 765 N GLU A 50 8.950 -7.606 5.536 1.00 0.42 N ATOM 766 CA GLU A 50 10.181 -7.159 4.901 1.00 0.44 C ATOM 767 C GLU A 50 9.969 -5.773 4.288 1.00 0.41 C ATOM 768 O GLU A 50 10.690 -4.825 4.594 1.00 0.51 O ATOM 769 CB GLU A 50 10.633 -8.203 3.867 1.00 0.53 C ATOM 770 CG GLU A 50 12.140 -8.117 3.589 1.00 1.34 C ATOM 771 CD GLU A 50 12.993 -8.460 4.816 1.00 1.56 C ATOM 772 OE1 GLU A 50 12.514 -9.257 5.652 1.00 2.48 O ATOM 773 OE2 GLU A 50 14.118 -7.918 4.900 1.00 2.28 O ATOM 0 H GLU A 50 8.317 -8.126 4.928 1.00 0.42 H new ATOM 0 HA GLU A 50 10.979 -7.066 5.637 1.00 0.44 H new ATOM 0 HB2 GLU A 50 10.387 -9.202 4.228 1.00 0.53 H new ATOM 0 HB3 GLU A 50 10.083 -8.055 2.937 1.00 0.53 H new ATOM 0 HG2 GLU A 50 12.394 -8.796 2.775 1.00 1.34 H new ATOM 0 HG3 GLU A 50 12.385 -7.110 3.252 1.00 1.34 H new ATOM 780 N GLU A 51 8.972 -5.630 3.414 1.00 0.36 N ATOM 781 CA GLU A 51 8.744 -4.370 2.719 1.00 0.36 C ATOM 782 C GLU A 51 8.096 -3.340 3.652 1.00 0.34 C ATOM 783 O GLU A 51 8.325 -2.135 3.501 1.00 0.34 O ATOM 784 CB GLU A 51 7.924 -4.594 1.444 1.00 0.37 C ATOM 785 CG GLU A 51 8.715 -5.358 0.366 1.00 0.82 C ATOM 786 CD GLU A 51 8.911 -6.852 0.635 1.00 1.09 C ATOM 787 OE1 GLU A 51 8.039 -7.467 1.283 1.00 2.60 O ATOM 788 OE2 GLU A 51 9.903 -7.413 0.116 1.00 1.89 O ATOM 0 H GLU A 51 8.313 -6.371 3.173 1.00 0.36 H new ATOM 0 HA GLU A 51 9.708 -3.962 2.414 1.00 0.36 H new ATOM 0 HB2 GLU A 51 7.019 -5.150 1.690 1.00 0.37 H new ATOM 0 HB3 GLU A 51 7.607 -3.631 1.045 1.00 0.37 H new ATOM 0 HG2 GLU A 51 8.202 -5.242 -0.589 1.00 0.82 H new ATOM 0 HG3 GLU A 51 9.695 -4.893 0.260 1.00 0.82 H new ATOM 795 N GLY A 52 7.327 -3.788 4.650 1.00 0.35 N ATOM 796 CA GLY A 52 6.803 -2.987 5.747 1.00 0.36 C ATOM 797 C GLY A 52 7.849 -2.532 6.768 1.00 0.36 C ATOM 798 O GLY A 52 7.618 -2.553 7.974 1.00 0.38 O ATOM 0 H GLY A 52 7.043 -4.766 4.712 1.00 0.35 H new ATOM 0 HA2 GLY A 52 6.313 -2.106 5.333 1.00 0.36 H new ATOM 0 HA3 GLY A 52 6.037 -3.564 6.265 1.00 0.36 H new ATOM 802 N SER A 53 8.984 -2.035 6.282 1.00 0.40 N ATOM 803 CA SER A 53 9.876 -1.152 7.007 1.00 0.43 C ATOM 804 C SER A 53 10.788 -0.488 5.978 1.00 0.38 C ATOM 805 O SER A 53 12.005 -0.446 6.153 1.00 0.54 O ATOM 806 CB SER A 53 10.650 -1.964 8.057 1.00 0.55 C ATOM 807 OG SER A 53 11.551 -1.144 8.777 1.00 2.07 O ATOM 0 H SER A 53 9.313 -2.247 5.340 1.00 0.40 H new ATOM 0 HA SER A 53 9.339 -0.374 7.550 1.00 0.43 H new ATOM 0 HB2 SER A 53 9.949 -2.432 8.748 1.00 0.55 H new ATOM 0 HB3 SER A 53 11.199 -2.768 7.567 1.00 0.55 H new ATOM 0 HG SER A 53 12.069 -0.598 8.150 1.00 2.07 H new ATOM 813 N ASN A 54 10.204 0.001 4.879 1.00 0.45 N ATOM 814 CA ASN A 54 10.993 0.460 3.744 1.00 0.39 C ATOM 815 C ASN A 54 10.322 1.616 3.023 1.00 0.44 C ATOM 816 O ASN A 54 10.936 2.655 2.805 1.00 0.61 O ATOM 817 CB ASN A 54 11.245 -0.724 2.797 1.00 0.41 C ATOM 818 CG ASN A 54 12.534 -0.531 2.014 1.00 0.56 C ATOM 819 OD1 ASN A 54 12.709 0.464 1.324 1.00 1.22 O ATOM 820 ND2 ASN A 54 13.461 -1.475 2.118 1.00 1.49 N ATOM 0 H ASN A 54 9.195 0.087 4.757 1.00 0.45 H new ATOM 0 HA ASN A 54 11.949 0.838 4.107 1.00 0.39 H new ATOM 0 HB2 ASN A 54 11.299 -1.649 3.372 1.00 0.41 H new ATOM 0 HB3 ASN A 54 10.408 -0.827 2.107 1.00 0.41 H new ATOM 0 HD21 ASN A 54 14.344 -1.380 1.616 1.00 1.49 H new ATOM 0 HD22 ASN A 54 13.291 -2.295 2.700 1.00 1.49 H new ATOM 827 N LEU A 55 9.043 1.456 2.674 1.00 0.35 N ATOM 828 CA LEU A 55 8.327 2.482 1.918 1.00 0.37 C ATOM 829 C LEU A 55 8.291 3.801 2.683 1.00 0.38 C ATOM 830 O LEU A 55 8.320 4.875 2.089 1.00 0.41 O ATOM 831 CB LEU A 55 6.890 2.044 1.600 1.00 0.35 C ATOM 832 CG LEU A 55 6.818 0.672 0.930 1.00 0.39 C ATOM 833 CD1 LEU A 55 5.382 0.403 0.471 1.00 0.39 C ATOM 834 CD2 LEU A 55 7.784 0.621 -0.254 1.00 0.46 C ATOM 0 H LEU A 55 8.487 0.632 2.902 1.00 0.35 H new ATOM 0 HA LEU A 55 8.868 2.623 0.982 1.00 0.37 H new ATOM 0 HB2 LEU A 55 6.310 2.022 2.523 1.00 0.35 H new ATOM 0 HB3 LEU A 55 6.426 2.785 0.949 1.00 0.35 H new ATOM 0 HG LEU A 55 7.108 -0.100 1.643 1.00 0.39 H new ATOM 0 HD11 LEU A 55 5.330 -0.575 -0.007 1.00 0.39 H new ATOM 0 HD12 LEU A 55 4.715 0.422 1.333 1.00 0.39 H new ATOM 0 HD13 LEU A 55 5.077 1.171 -0.240 1.00 0.39 H new ATOM 0 HD21 LEU A 55 7.728 -0.359 -0.727 1.00 0.46 H new ATOM 0 HD22 LEU A 55 7.513 1.389 -0.978 1.00 0.46 H new ATOM 0 HD23 LEU A 55 8.801 0.796 0.098 1.00 0.46 H new ATOM 846 N THR A 56 8.152 3.707 4.002 1.00 0.35 N ATOM 847 CA THR A 56 8.012 4.843 4.899 1.00 0.36 C ATOM 848 C THR A 56 7.929 4.303 6.329 1.00 0.39 C ATOM 849 O THR A 56 7.780 3.097 6.533 1.00 0.43 O ATOM 850 CB THR A 56 6.819 5.744 4.497 1.00 0.36 C ATOM 851 OG1 THR A 56 6.423 6.584 5.567 1.00 0.43 O ATOM 852 CG2 THR A 56 5.584 4.974 4.027 1.00 0.32 C ATOM 0 H THR A 56 8.133 2.810 4.488 1.00 0.35 H new ATOM 0 HA THR A 56 8.879 5.500 4.830 1.00 0.36 H new ATOM 0 HB THR A 56 7.195 6.329 3.657 1.00 0.36 H new ATOM 0 HG1 THR A 56 5.669 7.142 5.283 1.00 0.43 H new ATOM 0 HG21 THR A 56 4.794 5.678 3.764 1.00 0.32 H new ATOM 0 HG22 THR A 56 5.840 4.374 3.154 1.00 0.32 H new ATOM 0 HG23 THR A 56 5.236 4.321 4.827 1.00 0.32 H new ATOM 860 N SER A 57 7.992 5.188 7.326 1.00 0.43 N ATOM 861 CA SER A 57 7.720 4.845 8.715 1.00 0.49 C ATOM 862 C SER A 57 6.264 4.387 8.859 1.00 0.48 C ATOM 863 O SER A 57 5.987 3.447 9.599 1.00 0.50 O ATOM 864 CB SER A 57 8.038 6.051 9.606 1.00 0.58 C ATOM 865 OG SER A 57 8.039 5.694 10.972 1.00 1.99 O ATOM 0 H SER A 57 8.235 6.169 7.187 1.00 0.43 H new ATOM 0 HA SER A 57 8.355 4.018 9.033 1.00 0.49 H new ATOM 0 HB2 SER A 57 9.011 6.460 9.334 1.00 0.58 H new ATOM 0 HB3 SER A 57 7.303 6.837 9.434 1.00 0.58 H new ATOM 0 HG SER A 57 8.246 6.482 11.516 1.00 1.99 H new ATOM 871 N TYR A 58 5.337 4.979 8.095 1.00 0.47 N ATOM 872 CA TYR A 58 3.947 4.517 8.039 1.00 0.50 C ATOM 873 C TYR A 58 3.821 3.136 7.389 1.00 0.47 C ATOM 874 O TYR A 58 2.755 2.529 7.419 1.00 0.57 O ATOM 875 CB TYR A 58 3.071 5.521 7.266 1.00 0.56 C ATOM 876 CG TYR A 58 2.188 6.399 8.127 1.00 0.72 C ATOM 877 CD1 TYR A 58 1.420 5.822 9.155 1.00 0.75 C ATOM 878 CD2 TYR A 58 2.072 7.777 7.861 1.00 0.87 C ATOM 879 CE1 TYR A 58 0.575 6.615 9.944 1.00 0.91 C ATOM 880 CE2 TYR A 58 1.209 8.575 8.634 1.00 1.04 C ATOM 881 CZ TYR A 58 0.458 7.996 9.681 1.00 1.06 C ATOM 882 OH TYR A 58 -0.391 8.768 10.417 1.00 1.23 O ATOM 0 H TYR A 58 5.529 5.787 7.502 1.00 0.47 H new ATOM 0 HA TYR A 58 3.602 4.441 9.070 1.00 0.50 H new ATOM 0 HB2 TYR A 58 3.720 6.161 6.668 1.00 0.56 H new ATOM 0 HB3 TYR A 58 2.440 4.968 6.570 1.00 0.56 H new ATOM 0 HD1 TYR A 58 1.482 4.759 9.338 1.00 0.75 H new ATOM 0 HD2 TYR A 58 2.647 8.222 7.062 1.00 0.87 H new ATOM 0 HE1 TYR A 58 0.014 6.169 10.752 1.00 0.91 H new ATOM 0 HE2 TYR A 58 1.121 9.631 8.427 1.00 1.04 H new ATOM 0 HH TYR A 58 -0.346 9.695 10.103 1.00 1.23 H new ATOM 892 N GLY A 59 4.897 2.621 6.795 1.00 0.48 N ATOM 893 CA GLY A 59 4.927 1.270 6.279 1.00 0.48 C ATOM 894 C GLY A 59 5.302 0.272 7.365 1.00 0.47 C ATOM 895 O GLY A 59 5.282 -0.919 7.101 1.00 0.51 O ATOM 0 H GLY A 59 5.768 3.136 6.662 1.00 0.48 H new ATOM 0 HA2 GLY A 59 3.951 1.014 5.868 1.00 0.48 H new ATOM 0 HA3 GLY A 59 5.644 1.207 5.461 1.00 0.48 H new ATOM 899 N ARG A 60 5.648 0.721 8.573 1.00 0.45 N ATOM 900 CA ARG A 60 6.112 -0.146 9.649 1.00 0.48 C ATOM 901 C ARG A 60 5.140 -0.180 10.822 1.00 0.47 C ATOM 902 O ARG A 60 5.270 -1.044 11.685 1.00 0.48 O ATOM 903 CB ARG A 60 7.487 0.353 10.104 1.00 0.52 C ATOM 904 CG ARG A 60 8.242 -0.605 11.043 1.00 0.68 C ATOM 905 CD ARG A 60 8.096 -0.204 12.521 1.00 1.40 C ATOM 906 NE ARG A 60 8.956 -1.009 13.401 1.00 1.26 N ATOM 907 CZ ARG A 60 10.234 -0.738 13.695 1.00 1.66 C ATOM 908 NH1 ARG A 60 10.850 0.287 13.107 1.00 2.71 N ATOM 909 NH2 ARG A 60 10.892 -1.489 14.579 1.00 1.90 N ATOM 0 H ARG A 60 5.612 1.707 8.831 1.00 0.45 H new ATOM 0 HA ARG A 60 6.179 -1.168 9.275 1.00 0.48 H new ATOM 0 HB2 ARG A 60 8.102 0.535 9.223 1.00 0.52 H new ATOM 0 HB3 ARG A 60 7.362 1.311 10.609 1.00 0.52 H new ATOM 0 HG2 ARG A 60 7.866 -1.619 10.904 1.00 0.68 H new ATOM 0 HG3 ARG A 60 9.298 -0.617 10.774 1.00 0.68 H new ATOM 0 HD2 ARG A 60 8.346 0.851 12.636 1.00 1.40 H new ATOM 0 HD3 ARG A 60 7.056 -0.320 12.826 1.00 1.40 H new ATOM 0 HE ARG A 60 8.545 -1.842 13.822 1.00 1.26 H new ATOM 0 HH11 ARG A 60 10.348 0.865 12.433 1.00 2.71 H new ATOM 0 HH12 ARG A 60 11.823 0.493 13.331 1.00 2.71 H new ATOM 0 HH21 ARG A 60 10.422 -2.272 15.033 1.00 1.90 H new ATOM 0 HH22 ARG A 60 11.865 -1.280 14.801 1.00 1.90 H new ATOM 923 N THR A 61 4.227 0.789 10.884 1.00 0.53 N ATOM 924 CA THR A 61 3.163 0.893 11.879 1.00 0.62 C ATOM 925 C THR A 61 2.191 -0.292 11.732 1.00 0.69 C ATOM 926 O THR A 61 2.602 -1.387 11.359 1.00 0.86 O ATOM 927 CB THR A 61 2.480 2.257 11.692 1.00 0.63 C ATOM 928 OG1 THR A 61 2.153 2.430 10.342 1.00 0.77 O ATOM 929 CG2 THR A 61 3.364 3.429 12.085 1.00 0.93 C ATOM 0 H THR A 61 4.209 1.556 10.212 1.00 0.53 H new ATOM 0 HA THR A 61 3.555 0.840 12.895 1.00 0.62 H new ATOM 0 HB THR A 61 1.603 2.249 12.339 1.00 0.63 H new ATOM 0 HG1 THR A 61 1.284 2.878 10.271 1.00 0.77 H new ATOM 0 HG21 THR A 61 2.822 4.362 11.929 1.00 0.93 H new ATOM 0 HG22 THR A 61 3.639 3.341 13.136 1.00 0.93 H new ATOM 0 HG23 THR A 61 4.266 3.426 11.472 1.00 0.93 H new ATOM 937 N ASN A 62 0.899 -0.151 12.049 1.00 0.74 N ATOM 938 CA ASN A 62 0.001 -1.277 11.840 1.00 0.74 C ATOM 939 C ASN A 62 0.034 -1.679 10.369 1.00 0.72 C ATOM 940 O ASN A 62 0.098 -0.834 9.480 1.00 0.70 O ATOM 941 CB ASN A 62 -1.428 -0.942 12.283 1.00 0.78 C ATOM 942 CG ASN A 62 -1.532 -0.902 13.797 1.00 1.55 C ATOM 943 OD1 ASN A 62 -1.342 0.141 14.407 1.00 2.96 O ATOM 944 ND2 ASN A 62 -1.810 -2.034 14.430 1.00 2.06 N ATOM 0 H ASN A 62 0.472 0.692 12.433 1.00 0.74 H new ATOM 0 HA ASN A 62 0.338 -2.114 12.451 1.00 0.74 H new ATOM 0 HB2 ASN A 62 -1.725 0.022 11.869 1.00 0.78 H new ATOM 0 HB3 ASN A 62 -2.119 -1.686 11.887 1.00 0.78 H new ATOM 0 HD21 ASN A 62 -1.869 -2.048 15.448 1.00 2.06 H new ATOM 0 HD22 ASN A 62 -1.964 -2.891 13.899 1.00 2.06 H new ATOM 951 N GLU A 63 -0.061 -2.980 10.113 1.00 0.77 N ATOM 952 CA GLU A 63 -0.015 -3.538 8.770 1.00 0.78 C ATOM 953 C GLU A 63 -1.097 -2.927 7.871 1.00 0.72 C ATOM 954 O GLU A 63 -0.934 -2.795 6.661 1.00 0.69 O ATOM 955 CB GLU A 63 -0.153 -5.055 8.903 1.00 0.89 C ATOM 956 CG GLU A 63 -0.008 -5.716 7.536 1.00 0.88 C ATOM 957 CD GLU A 63 0.302 -7.211 7.608 1.00 1.94 C ATOM 958 OE1 GLU A 63 0.510 -7.730 8.726 1.00 3.11 O ATOM 959 OE2 GLU A 63 0.370 -7.818 6.519 1.00 2.66 O ATOM 0 H GLU A 63 -0.173 -3.683 10.843 1.00 0.77 H new ATOM 0 HA GLU A 63 0.931 -3.298 8.285 1.00 0.78 H new ATOM 0 HB2 GLU A 63 0.607 -5.439 9.584 1.00 0.89 H new ATOM 0 HB3 GLU A 63 -1.123 -5.303 9.335 1.00 0.89 H new ATOM 0 HG2 GLU A 63 -0.930 -5.572 6.972 1.00 0.88 H new ATOM 0 HG3 GLU A 63 0.786 -5.215 6.982 1.00 0.88 H new ATOM 966 N ALA A 64 -2.207 -2.515 8.479 1.00 0.72 N ATOM 967 CA ALA A 64 -3.281 -1.824 7.794 1.00 0.67 C ATOM 968 C ALA A 64 -2.815 -0.510 7.165 1.00 0.59 C ATOM 969 O ALA A 64 -3.237 -0.145 6.069 1.00 0.58 O ATOM 970 CB ALA A 64 -4.422 -1.627 8.785 1.00 0.70 C ATOM 0 H ALA A 64 -2.382 -2.657 9.474 1.00 0.72 H new ATOM 0 HA ALA A 64 -3.631 -2.427 6.956 1.00 0.67 H new ATOM 0 HB1 ALA A 64 -5.245 -1.108 8.294 1.00 0.70 H new ATOM 0 HB2 ALA A 64 -4.766 -2.598 9.141 1.00 0.70 H new ATOM 0 HB3 ALA A 64 -4.072 -1.034 9.630 1.00 0.70 H new ATOM 976 N GLU A 65 -1.960 0.236 7.862 1.00 0.57 N ATOM 977 CA GLU A 65 -1.396 1.462 7.328 1.00 0.50 C ATOM 978 C GLU A 65 -0.402 1.160 6.225 1.00 0.46 C ATOM 979 O GLU A 65 -0.419 1.842 5.211 1.00 0.46 O ATOM 980 CB GLU A 65 -0.700 2.274 8.409 1.00 0.53 C ATOM 981 CG GLU A 65 -1.616 2.428 9.614 1.00 0.67 C ATOM 982 CD GLU A 65 -1.266 3.711 10.347 1.00 0.98 C ATOM 983 OE1 GLU A 65 -0.263 3.678 11.095 1.00 2.37 O ATOM 984 OE2 GLU A 65 -1.954 4.720 10.072 1.00 1.73 O ATOM 0 H GLU A 65 -1.644 0.006 8.804 1.00 0.57 H new ATOM 0 HA GLU A 65 -2.225 2.045 6.927 1.00 0.50 H new ATOM 0 HB2 GLU A 65 0.226 1.781 8.706 1.00 0.53 H new ATOM 0 HB3 GLU A 65 -0.428 3.255 8.020 1.00 0.53 H new ATOM 0 HG2 GLU A 65 -2.658 2.451 9.293 1.00 0.67 H new ATOM 0 HG3 GLU A 65 -1.506 1.573 10.281 1.00 0.67 H new ATOM 991 N PHE A 66 0.442 0.143 6.406 1.00 0.47 N ATOM 992 CA PHE A 66 1.363 -0.311 5.376 1.00 0.47 C ATOM 993 C PHE A 66 0.633 -0.528 4.050 1.00 0.47 C ATOM 994 O PHE A 66 1.029 0.014 3.020 1.00 0.46 O ATOM 995 CB PHE A 66 2.072 -1.578 5.869 1.00 0.50 C ATOM 996 CG PHE A 66 2.806 -2.325 4.784 1.00 0.49 C ATOM 997 CD1 PHE A 66 4.078 -1.895 4.384 1.00 0.49 C ATOM 998 CD2 PHE A 66 2.225 -3.449 4.169 1.00 0.51 C ATOM 999 CE1 PHE A 66 4.752 -2.539 3.345 1.00 0.52 C ATOM 1000 CE2 PHE A 66 2.925 -4.134 3.163 1.00 0.52 C ATOM 1001 CZ PHE A 66 4.193 -3.677 2.761 1.00 0.53 C ATOM 0 H PHE A 66 0.502 -0.387 7.275 1.00 0.47 H new ATOM 0 HA PHE A 66 2.117 0.453 5.187 1.00 0.47 H new ATOM 0 HB2 PHE A 66 2.779 -1.306 6.652 1.00 0.50 H new ATOM 0 HB3 PHE A 66 1.336 -2.243 6.321 1.00 0.50 H new ATOM 0 HD1 PHE A 66 4.541 -1.057 4.884 1.00 0.49 H new ATOM 0 HD2 PHE A 66 1.243 -3.784 4.470 1.00 0.51 H new ATOM 0 HE1 PHE A 66 5.700 -2.159 2.995 1.00 0.52 H new ATOM 0 HE2 PHE A 66 2.492 -5.008 2.700 1.00 0.52 H new ATOM 0 HZ PHE A 66 4.738 -4.210 1.996 1.00 0.53 H new ATOM 1011 N PHE A 67 -0.448 -1.305 4.074 1.00 0.50 N ATOM 1012 CA PHE A 67 -1.259 -1.552 2.893 1.00 0.51 C ATOM 1013 C PHE A 67 -1.849 -0.243 2.353 1.00 0.47 C ATOM 1014 O PHE A 67 -1.892 -0.028 1.145 1.00 0.45 O ATOM 1015 CB PHE A 67 -2.360 -2.549 3.268 1.00 0.57 C ATOM 1016 CG PHE A 67 -3.346 -2.836 2.155 1.00 0.60 C ATOM 1017 CD1 PHE A 67 -3.066 -3.834 1.203 1.00 0.59 C ATOM 1018 CD2 PHE A 67 -4.544 -2.101 2.073 1.00 0.69 C ATOM 1019 CE1 PHE A 67 -3.986 -4.105 0.176 1.00 0.66 C ATOM 1020 CE2 PHE A 67 -5.462 -2.370 1.042 1.00 0.77 C ATOM 1021 CZ PHE A 67 -5.185 -3.374 0.096 1.00 0.75 C ATOM 0 H PHE A 67 -0.782 -1.778 4.913 1.00 0.50 H new ATOM 0 HA PHE A 67 -0.644 -1.972 2.097 1.00 0.51 H new ATOM 0 HB2 PHE A 67 -1.896 -3.486 3.577 1.00 0.57 H new ATOM 0 HB3 PHE A 67 -2.905 -2.164 4.130 1.00 0.57 H new ATOM 0 HD1 PHE A 67 -2.143 -4.392 1.262 1.00 0.59 H new ATOM 0 HD2 PHE A 67 -4.758 -1.332 2.801 1.00 0.69 H new ATOM 0 HE1 PHE A 67 -3.773 -4.874 -0.551 1.00 0.66 H new ATOM 0 HE2 PHE A 67 -6.380 -1.805 0.976 1.00 0.77 H new ATOM 0 HZ PHE A 67 -5.893 -3.583 -0.692 1.00 0.75 H new ATOM 1031 N ALA A 68 -2.328 0.641 3.230 1.00 0.49 N ATOM 1032 CA ALA A 68 -2.982 1.873 2.818 1.00 0.46 C ATOM 1033 C ALA A 68 -2.019 2.808 2.063 1.00 0.38 C ATOM 1034 O ALA A 68 -2.357 3.344 1.006 1.00 0.38 O ATOM 1035 CB ALA A 68 -3.575 2.510 4.075 1.00 0.49 C ATOM 0 H ALA A 68 -2.271 0.519 4.241 1.00 0.49 H new ATOM 0 HA ALA A 68 -3.780 1.668 2.104 1.00 0.46 H new ATOM 0 HB1 ALA A 68 -4.077 3.440 3.809 1.00 0.49 H new ATOM 0 HB2 ALA A 68 -4.294 1.826 4.525 1.00 0.49 H new ATOM 0 HB3 ALA A 68 -2.777 2.719 4.788 1.00 0.49 H new ATOM 1041 N GLU A 69 -0.805 2.990 2.584 1.00 0.37 N ATOM 1042 CA GLU A 69 0.283 3.691 1.914 1.00 0.36 C ATOM 1043 C GLU A 69 0.602 3.019 0.587 1.00 0.29 C ATOM 1044 O GLU A 69 0.792 3.710 -0.411 1.00 0.30 O ATOM 1045 CB GLU A 69 1.561 3.688 2.772 1.00 0.61 C ATOM 1046 CG GLU A 69 1.664 4.874 3.733 1.00 1.53 C ATOM 1047 CD GLU A 69 1.672 6.229 3.016 1.00 3.07 C ATOM 1048 OE1 GLU A 69 1.956 6.285 1.806 1.00 3.64 O ATOM 1049 OE2 GLU A 69 1.310 7.242 3.656 1.00 4.28 O ATOM 0 H GLU A 69 -0.548 2.643 3.508 1.00 0.37 H new ATOM 0 HA GLU A 69 -0.043 4.719 1.753 1.00 0.36 H new ATOM 0 HB2 GLU A 69 1.599 2.763 3.347 1.00 0.61 H new ATOM 0 HB3 GLU A 69 2.429 3.690 2.113 1.00 0.61 H new ATOM 0 HG2 GLU A 69 0.826 4.843 4.430 1.00 1.53 H new ATOM 0 HG3 GLU A 69 2.574 4.777 4.324 1.00 1.53 H new ATOM 1056 N ALA A 70 0.667 1.683 0.553 1.00 0.31 N ATOM 1057 CA ALA A 70 0.926 0.989 -0.698 1.00 0.34 C ATOM 1058 C ALA A 70 -0.065 1.490 -1.738 1.00 0.34 C ATOM 1059 O ALA A 70 0.358 1.993 -2.773 1.00 0.42 O ATOM 1060 CB ALA A 70 0.872 -0.534 -0.541 1.00 0.40 C ATOM 0 H ALA A 70 0.545 1.077 1.364 1.00 0.31 H new ATOM 0 HA ALA A 70 1.942 1.209 -1.026 1.00 0.34 H new ATOM 0 HB1 ALA A 70 1.072 -1.006 -1.503 1.00 0.40 H new ATOM 0 HB2 ALA A 70 1.623 -0.852 0.182 1.00 0.40 H new ATOM 0 HB3 ALA A 70 -0.117 -0.829 -0.191 1.00 0.40 H new ATOM 1066 N PHE A 71 -1.367 1.424 -1.442 1.00 0.43 N ATOM 1067 CA PHE A 71 -2.420 1.875 -2.340 1.00 0.54 C ATOM 1068 C PHE A 71 -2.163 3.285 -2.858 1.00 0.54 C ATOM 1069 O PHE A 71 -2.224 3.501 -4.066 1.00 0.64 O ATOM 1070 CB PHE A 71 -3.792 1.789 -1.664 1.00 0.62 C ATOM 1071 CG PHE A 71 -4.914 1.930 -2.670 1.00 0.78 C ATOM 1072 CD1 PHE A 71 -5.165 0.866 -3.552 1.00 1.84 C ATOM 1073 CD2 PHE A 71 -5.661 3.119 -2.776 1.00 1.78 C ATOM 1074 CE1 PHE A 71 -6.137 0.990 -4.555 1.00 2.15 C ATOM 1075 CE2 PHE A 71 -6.640 3.242 -3.781 1.00 2.11 C ATOM 1076 CZ PHE A 71 -6.872 2.181 -4.675 1.00 1.78 C ATOM 0 H PHE A 71 -1.717 1.050 -0.560 1.00 0.43 H new ATOM 0 HA PHE A 71 -2.416 1.205 -3.200 1.00 0.54 H new ATOM 0 HB2 PHE A 71 -3.884 0.835 -1.145 1.00 0.62 H new ATOM 0 HB3 PHE A 71 -3.877 2.571 -0.910 1.00 0.62 H new ATOM 0 HD1 PHE A 71 -4.606 -0.053 -3.457 1.00 1.84 H new ATOM 0 HD2 PHE A 71 -5.484 3.933 -2.089 1.00 1.78 H new ATOM 0 HE1 PHE A 71 -6.320 0.171 -5.234 1.00 2.15 H new ATOM 0 HE2 PHE A 71 -7.214 4.153 -3.865 1.00 2.11 H new ATOM 0 HZ PHE A 71 -7.614 2.282 -5.453 1.00 1.78 H new ATOM 1086 N ARG A 72 -1.889 4.251 -1.976 1.00 0.46 N ATOM 1087 CA ARG A 72 -1.547 5.618 -2.372 1.00 0.47 C ATOM 1088 C ARG A 72 -0.485 5.596 -3.479 1.00 0.53 C ATOM 1089 O ARG A 72 -0.685 6.150 -4.565 1.00 0.63 O ATOM 1090 CB ARG A 72 -1.085 6.391 -1.123 1.00 0.41 C ATOM 1091 CG ARG A 72 -0.357 7.702 -1.439 1.00 0.46 C ATOM 1092 CD ARG A 72 0.251 8.290 -0.169 1.00 0.65 C ATOM 1093 NE ARG A 72 1.543 8.936 -0.454 1.00 0.92 N ATOM 1094 CZ ARG A 72 2.391 9.419 0.460 1.00 1.12 C ATOM 1095 NH1 ARG A 72 2.181 9.233 1.762 1.00 2.05 N ATOM 1096 NH2 ARG A 72 3.458 10.099 0.062 1.00 1.66 N ATOM 0 H ARG A 72 -1.898 4.106 -0.966 1.00 0.46 H new ATOM 0 HA ARG A 72 -2.417 6.129 -2.785 1.00 0.47 H new ATOM 0 HB2 ARG A 72 -1.953 6.610 -0.501 1.00 0.41 H new ATOM 0 HB3 ARG A 72 -0.425 5.752 -0.536 1.00 0.41 H new ATOM 0 HG2 ARG A 72 0.426 7.523 -2.176 1.00 0.46 H new ATOM 0 HG3 ARG A 72 -1.053 8.415 -1.881 1.00 0.46 H new ATOM 0 HD2 ARG A 72 -0.436 9.017 0.265 1.00 0.65 H new ATOM 0 HD3 ARG A 72 0.390 7.502 0.571 1.00 0.65 H new ATOM 0 HE ARG A 72 1.815 9.023 -1.433 1.00 0.92 H new ATOM 0 HH11 ARG A 72 1.361 8.714 2.077 1.00 2.05 H new ATOM 0 HH12 ARG A 72 2.840 9.609 2.444 1.00 2.05 H new ATOM 0 HH21 ARG A 72 3.625 10.249 -0.933 1.00 1.66 H new ATOM 0 HH22 ARG A 72 4.111 10.472 0.751 1.00 1.66 H new ATOM 1110 N LEU A 73 0.651 4.972 -3.179 1.00 0.47 N ATOM 1111 CA LEU A 73 1.846 4.961 -4.011 1.00 0.48 C ATOM 1112 C LEU A 73 1.605 4.185 -5.304 1.00 0.53 C ATOM 1113 O LEU A 73 2.287 4.431 -6.288 1.00 0.61 O ATOM 1114 CB LEU A 73 3.004 4.339 -3.233 1.00 0.41 C ATOM 1115 CG LEU A 73 3.585 5.151 -2.049 1.00 0.39 C ATOM 1116 CD1 LEU A 73 4.970 5.746 -2.351 1.00 0.49 C ATOM 1117 CD2 LEU A 73 2.736 6.308 -1.537 1.00 0.42 C ATOM 0 H LEU A 73 0.767 4.440 -2.316 1.00 0.47 H new ATOM 0 HA LEU A 73 2.095 5.988 -4.276 1.00 0.48 H new ATOM 0 HB2 LEU A 73 2.672 3.374 -2.849 1.00 0.41 H new ATOM 0 HB3 LEU A 73 3.814 4.141 -3.935 1.00 0.41 H new ATOM 0 HG LEU A 73 3.624 4.382 -1.277 1.00 0.39 H new ATOM 0 HD11 LEU A 73 5.324 6.303 -1.484 1.00 0.49 H new ATOM 0 HD12 LEU A 73 5.670 4.942 -2.576 1.00 0.49 H new ATOM 0 HD13 LEU A 73 4.899 6.416 -3.208 1.00 0.49 H new ATOM 0 HD21 LEU A 73 3.249 6.797 -0.709 1.00 0.42 H new ATOM 0 HD22 LEU A 73 2.577 7.027 -2.341 1.00 0.42 H new ATOM 0 HD23 LEU A 73 1.773 5.929 -1.194 1.00 0.42 H new ATOM 1129 N MET A 74 0.653 3.252 -5.331 1.00 0.56 N ATOM 1130 CA MET A 74 0.338 2.488 -6.544 1.00 0.62 C ATOM 1131 C MET A 74 -0.033 3.407 -7.702 1.00 0.48 C ATOM 1132 O MET A 74 0.350 3.160 -8.848 1.00 0.46 O ATOM 1133 CB MET A 74 -0.842 1.525 -6.354 1.00 0.86 C ATOM 1134 CG MET A 74 -0.617 0.380 -5.377 1.00 1.70 C ATOM 1135 SD MET A 74 0.803 -0.672 -5.710 1.00 3.30 S ATOM 1136 CE MET A 74 2.051 0.115 -4.666 1.00 5.59 C ATOM 0 H MET A 74 0.082 3.004 -4.523 1.00 0.56 H new ATOM 0 HA MET A 74 1.245 1.924 -6.761 1.00 0.62 H new ATOM 0 HB2 MET A 74 -1.704 2.100 -6.017 1.00 0.86 H new ATOM 0 HB3 MET A 74 -1.101 1.103 -7.325 1.00 0.86 H new ATOM 0 HG2 MET A 74 -0.508 0.798 -4.376 1.00 1.70 H new ATOM 0 HG3 MET A 74 -1.511 -0.243 -5.366 1.00 1.70 H new ATOM 0 HE1 MET A 74 2.963 -0.482 -4.677 1.00 5.59 H new ATOM 0 HE2 MET A 74 2.266 1.114 -5.046 1.00 5.59 H new ATOM 0 HE3 MET A 74 1.677 0.188 -3.645 1.00 5.59 H new ATOM 1146 N HIS A 75 -0.886 4.396 -7.432 1.00 0.53 N ATOM 1147 CA HIS A 75 -1.396 5.288 -8.469 1.00 0.56 C ATOM 1148 C HIS A 75 -0.619 6.592 -8.586 1.00 0.56 C ATOM 1149 O HIS A 75 -0.651 7.150 -9.679 1.00 0.79 O ATOM 1150 CB HIS A 75 -2.905 5.519 -8.335 1.00 0.74 C ATOM 1151 CG HIS A 75 -3.388 5.700 -6.923 1.00 1.26 C ATOM 1152 ND1 HIS A 75 -3.295 6.855 -6.172 1.00 1.68 N ATOM 1153 CD2 HIS A 75 -3.922 4.715 -6.140 1.00 2.07 C ATOM 1154 CE1 HIS A 75 -3.765 6.567 -4.945 1.00 2.49 C ATOM 1155 NE2 HIS A 75 -4.166 5.282 -4.909 1.00 2.68 N ATOM 0 H HIS A 75 -1.239 4.599 -6.497 1.00 0.53 H new ATOM 0 HA HIS A 75 -1.232 4.769 -9.413 1.00 0.56 H new ATOM 0 HB2 HIS A 75 -3.177 6.402 -8.914 1.00 0.74 H new ATOM 0 HB3 HIS A 75 -3.430 4.673 -8.779 1.00 0.74 H new ATOM 0 HD2 HIS A 75 -4.115 3.693 -6.430 1.00 2.07 H new ATOM 0 HE1 HIS A 75 -3.813 7.259 -4.117 1.00 2.49 H new ATOM 0 HE2 HIS A 75 -4.580 4.809 -4.106 1.00 2.68 H new ATOM 1164 N SER A 76 -0.024 7.088 -7.488 1.00 0.64 N ATOM 1165 CA SER A 76 0.646 8.377 -7.336 1.00 0.68 C ATOM 1166 C SER A 76 0.925 9.083 -8.661 1.00 0.69 C ATOM 1167 O SER A 76 1.692 8.606 -9.496 1.00 0.67 O ATOM 1168 CB SER A 76 1.920 8.211 -6.503 1.00 0.71 C ATOM 1169 OG SER A 76 2.889 7.502 -7.213 1.00 2.18 O ATOM 0 H SER A 76 -0.001 6.552 -6.621 1.00 0.64 H new ATOM 0 HA SER A 76 -0.044 9.033 -6.805 1.00 0.68 H new ATOM 0 HB2 SER A 76 2.310 9.191 -6.227 1.00 0.71 H new ATOM 0 HB3 SER A 76 1.687 7.688 -5.575 1.00 0.71 H new ATOM 0 HG SER A 76 3.370 8.113 -7.810 1.00 2.18 H new ATOM 1175 N THR A 77 0.306 10.249 -8.820 1.00 0.79 N ATOM 1176 CA THR A 77 0.463 11.132 -9.966 1.00 0.88 C ATOM 1177 C THR A 77 1.934 11.278 -10.342 1.00 0.88 C ATOM 1178 O THR A 77 2.292 11.221 -11.517 1.00 0.94 O ATOM 1179 CB THR A 77 -0.158 12.486 -9.612 1.00 1.04 C ATOM 1180 OG1 THR A 77 0.117 12.781 -8.256 1.00 1.08 O ATOM 1181 CG2 THR A 77 -1.677 12.438 -9.780 1.00 1.14 C ATOM 0 H THR A 77 -0.344 10.617 -8.125 1.00 0.79 H new ATOM 0 HA THR A 77 -0.044 10.712 -10.835 1.00 0.88 H new ATOM 0 HB THR A 77 0.263 13.243 -10.273 1.00 1.04 H new ATOM 0 HG1 THR A 77 -0.277 13.648 -8.023 1.00 1.08 H new ATOM 0 HG21 THR A 77 -2.102 13.409 -9.524 1.00 1.14 H new ATOM 0 HG22 THR A 77 -1.921 12.196 -10.814 1.00 1.14 H new ATOM 0 HG23 THR A 77 -2.092 11.675 -9.121 1.00 1.14 H new ATOM 1189 N ASP A 78 2.797 11.426 -9.335 1.00 0.86 N ATOM 1190 CA ASP A 78 4.222 11.273 -9.565 1.00 0.85 C ATOM 1191 C ASP A 78 4.512 9.813 -9.917 1.00 0.76 C ATOM 1192 O ASP A 78 4.564 8.941 -9.049 1.00 0.72 O ATOM 1193 CB ASP A 78 5.035 11.702 -8.341 1.00 0.95 C ATOM 1194 CG ASP A 78 6.495 11.299 -8.535 1.00 1.07 C ATOM 1195 OD1 ASP A 78 6.924 11.271 -9.712 1.00 1.50 O ATOM 1196 OD2 ASP A 78 7.144 10.926 -7.533 1.00 2.32 O ATOM 0 H ASP A 78 2.535 11.647 -8.374 1.00 0.86 H new ATOM 0 HA ASP A 78 4.518 11.919 -10.392 1.00 0.85 H new ATOM 0 HB2 ASP A 78 4.960 12.780 -8.200 1.00 0.95 H new ATOM 0 HB3 ASP A 78 4.634 11.234 -7.442 1.00 0.95 H new ATOM 1201 N HIS A 79 4.732 9.532 -11.201 1.00 0.80 N ATOM 1202 CA HIS A 79 5.019 8.173 -11.638 1.00 0.88 C ATOM 1203 C HIS A 79 6.281 7.619 -10.971 1.00 0.76 C ATOM 1204 O HIS A 79 6.442 6.399 -10.911 1.00 0.75 O ATOM 1205 CB HIS A 79 5.107 8.100 -13.168 1.00 1.09 C ATOM 1206 CG HIS A 79 4.737 6.742 -13.722 1.00 2.57 C ATOM 1207 ND1 HIS A 79 5.233 5.524 -13.294 1.00 4.11 N ATOM 1208 CD2 HIS A 79 3.844 6.506 -14.733 1.00 4.06 C ATOM 1209 CE1 HIS A 79 4.646 4.562 -14.034 1.00 5.71 C ATOM 1210 NE2 HIS A 79 3.801 5.136 -14.917 1.00 5.61 N ATOM 0 H HIS A 79 4.716 10.225 -11.950 1.00 0.80 H new ATOM 0 HA HIS A 79 4.191 7.539 -11.322 1.00 0.88 H new ATOM 0 HB2 HIS A 79 4.448 8.853 -13.600 1.00 1.09 H new ATOM 0 HB3 HIS A 79 6.122 8.348 -13.479 1.00 1.09 H new ATOM 0 HD1 HIS A 79 5.919 5.380 -12.553 1.00 4.11 H new ATOM 0 HD2 HIS A 79 3.281 7.247 -15.281 1.00 4.06 H new ATOM 0 HE1 HIS A 79 4.823 3.501 -13.936 1.00 5.71 H new ATOM 1219 N ALA A 80 7.187 8.477 -10.502 1.00 0.76 N ATOM 1220 CA ALA A 80 8.373 8.038 -9.791 1.00 0.74 C ATOM 1221 C ALA A 80 8.003 7.395 -8.462 1.00 0.66 C ATOM 1222 O ALA A 80 8.540 6.336 -8.154 1.00 0.63 O ATOM 1223 CB ALA A 80 9.311 9.207 -9.535 1.00 0.78 C ATOM 0 H ALA A 80 7.114 9.489 -10.607 1.00 0.76 H new ATOM 0 HA ALA A 80 8.877 7.301 -10.417 1.00 0.74 H new ATOM 0 HB1 ALA A 80 10.194 8.855 -9.001 1.00 0.78 H new ATOM 0 HB2 ALA A 80 9.613 9.646 -10.486 1.00 0.78 H new ATOM 0 HB3 ALA A 80 8.799 9.959 -8.935 1.00 0.78 H new ATOM 1229 N GLU A 81 7.111 8.006 -7.670 1.00 0.66 N ATOM 1230 CA GLU A 81 6.648 7.450 -6.396 1.00 0.61 C ATOM 1231 C GLU A 81 6.262 5.987 -6.578 1.00 0.52 C ATOM 1232 O GLU A 81 6.577 5.136 -5.744 1.00 0.50 O ATOM 1233 CB GLU A 81 5.479 8.255 -5.794 1.00 0.72 C ATOM 1234 CG GLU A 81 5.800 8.942 -4.458 1.00 0.94 C ATOM 1235 CD GLU A 81 4.521 9.382 -3.720 1.00 2.10 C ATOM 1236 OE1 GLU A 81 3.560 9.809 -4.395 1.00 3.25 O ATOM 1237 OE2 GLU A 81 4.489 9.273 -2.471 1.00 2.84 O ATOM 0 H GLU A 81 6.689 8.906 -7.899 1.00 0.66 H new ATOM 0 HA GLU A 81 7.473 7.519 -5.686 1.00 0.61 H new ATOM 0 HB2 GLU A 81 5.169 9.013 -6.513 1.00 0.72 H new ATOM 0 HB3 GLU A 81 4.630 7.586 -5.650 1.00 0.72 H new ATOM 0 HG2 GLU A 81 6.368 8.260 -3.826 1.00 0.94 H new ATOM 0 HG3 GLU A 81 6.433 9.811 -4.639 1.00 0.94 H new ATOM 1244 N ARG A 82 5.638 5.680 -7.716 1.00 0.48 N ATOM 1245 CA ARG A 82 5.195 4.321 -7.978 1.00 0.46 C ATOM 1246 C ARG A 82 6.407 3.410 -8.016 1.00 0.44 C ATOM 1247 O ARG A 82 6.463 2.408 -7.313 1.00 0.43 O ATOM 1248 CB ARG A 82 4.445 4.207 -9.311 1.00 0.43 C ATOM 1249 CG ARG A 82 3.168 5.014 -9.195 1.00 0.49 C ATOM 1250 CD ARG A 82 2.601 5.493 -10.519 1.00 0.54 C ATOM 1251 NE ARG A 82 1.509 4.634 -10.980 1.00 0.62 N ATOM 1252 CZ ARG A 82 0.607 4.966 -11.906 1.00 1.44 C ATOM 1253 NH1 ARG A 82 0.691 6.141 -12.532 1.00 2.65 N ATOM 1254 NH2 ARG A 82 -0.374 4.112 -12.202 1.00 1.49 N ATOM 0 H ARG A 82 5.432 6.348 -8.459 1.00 0.48 H new ATOM 0 HA ARG A 82 4.509 4.031 -7.182 1.00 0.46 H new ATOM 0 HB2 ARG A 82 5.061 4.582 -10.129 1.00 0.43 H new ATOM 0 HB3 ARG A 82 4.219 3.164 -9.534 1.00 0.43 H new ATOM 0 HG2 ARG A 82 2.415 4.408 -8.690 1.00 0.49 H new ATOM 0 HG3 ARG A 82 3.357 5.880 -8.561 1.00 0.49 H new ATOM 0 HD2 ARG A 82 2.240 6.516 -10.412 1.00 0.54 H new ATOM 0 HD3 ARG A 82 3.392 5.511 -11.269 1.00 0.54 H new ATOM 0 HE ARG A 82 1.431 3.708 -10.560 1.00 0.62 H new ATOM 0 HH11 ARG A 82 1.446 6.788 -12.303 1.00 2.65 H new ATOM 0 HH12 ARG A 82 0.000 6.393 -13.239 1.00 2.65 H new ATOM 0 HH21 ARG A 82 -0.430 3.214 -11.722 1.00 1.49 H new ATOM 0 HH22 ARG A 82 -1.068 4.357 -12.908 1.00 1.49 H new ATOM 1268 N LEU A 83 7.380 3.755 -8.863 1.00 0.46 N ATOM 1269 CA LEU A 83 8.615 3.003 -8.982 1.00 0.47 C ATOM 1270 C LEU A 83 9.456 3.052 -7.718 1.00 0.45 C ATOM 1271 O LEU A 83 10.309 2.190 -7.560 1.00 0.44 O ATOM 1272 CB LEU A 83 9.464 3.456 -10.175 1.00 0.55 C ATOM 1273 CG LEU A 83 9.000 2.915 -11.533 1.00 0.59 C ATOM 1274 CD1 LEU A 83 8.501 1.468 -11.482 1.00 0.57 C ATOM 1275 CD2 LEU A 83 7.897 3.781 -12.145 1.00 0.61 C ATOM 0 H LEU A 83 7.326 4.564 -9.482 1.00 0.46 H new ATOM 0 HA LEU A 83 8.303 1.972 -9.147 1.00 0.47 H new ATOM 0 HB2 LEU A 83 9.461 4.545 -10.213 1.00 0.55 H new ATOM 0 HB3 LEU A 83 10.495 3.145 -10.008 1.00 0.55 H new ATOM 0 HG LEU A 83 9.894 2.946 -12.156 1.00 0.59 H new ATOM 0 HD11 LEU A 83 8.190 1.155 -12.479 1.00 0.57 H new ATOM 0 HD12 LEU A 83 9.303 0.819 -11.132 1.00 0.57 H new ATOM 0 HD13 LEU A 83 7.654 1.399 -10.799 1.00 0.57 H new ATOM 0 HD21 LEU A 83 7.597 3.363 -13.106 1.00 0.61 H new ATOM 0 HD22 LEU A 83 7.038 3.803 -11.475 1.00 0.61 H new ATOM 0 HD23 LEU A 83 8.269 4.795 -12.291 1.00 0.61 H new ATOM 1287 N LYS A 84 9.262 4.000 -6.805 1.00 0.48 N ATOM 1288 CA LYS A 84 9.965 3.926 -5.530 1.00 0.46 C ATOM 1289 C LYS A 84 9.410 2.751 -4.747 1.00 0.38 C ATOM 1290 O LYS A 84 10.185 1.973 -4.199 1.00 0.40 O ATOM 1291 CB LYS A 84 9.850 5.251 -4.772 1.00 0.53 C ATOM 1292 CG LYS A 84 10.938 6.222 -5.253 1.00 0.70 C ATOM 1293 CD LYS A 84 10.407 7.653 -5.352 1.00 1.06 C ATOM 1294 CE LYS A 84 11.546 8.608 -5.717 1.00 0.97 C ATOM 1295 NZ LYS A 84 11.132 10.023 -5.589 1.00 1.57 N ATOM 0 H LYS A 84 8.644 4.804 -6.918 1.00 0.48 H new ATOM 0 HA LYS A 84 11.031 3.762 -5.688 1.00 0.46 H new ATOM 0 HB2 LYS A 84 8.864 5.687 -4.932 1.00 0.53 H new ATOM 0 HB3 LYS A 84 9.952 5.078 -3.701 1.00 0.53 H new ATOM 0 HG2 LYS A 84 11.783 6.193 -4.565 1.00 0.70 H new ATOM 0 HG3 LYS A 84 11.308 5.902 -6.227 1.00 0.70 H new ATOM 0 HD2 LYS A 84 9.620 7.707 -6.105 1.00 1.06 H new ATOM 0 HD3 LYS A 84 9.961 7.951 -4.403 1.00 1.06 H new ATOM 0 HE2 LYS A 84 12.402 8.419 -5.069 1.00 0.97 H new ATOM 0 HE3 LYS A 84 11.871 8.414 -6.739 1.00 0.97 H new ATOM 0 HZ1 LYS A 84 11.928 10.642 -5.844 1.00 1.57 H new ATOM 0 HZ2 LYS A 84 10.331 10.209 -6.225 1.00 1.57 H new ATOM 0 HZ3 LYS A 84 10.846 10.214 -4.607 1.00 1.57 H new ATOM 1309 N VAL A 85 8.088 2.579 -4.728 1.00 0.34 N ATOM 1310 CA VAL A 85 7.515 1.375 -4.151 1.00 0.28 C ATOM 1311 C VAL A 85 8.000 0.153 -4.916 1.00 0.26 C ATOM 1312 O VAL A 85 8.686 -0.663 -4.329 1.00 0.35 O ATOM 1313 CB VAL A 85 5.990 1.474 -4.021 1.00 0.29 C ATOM 1314 CG1 VAL A 85 5.375 0.188 -3.457 1.00 0.32 C ATOM 1315 CG2 VAL A 85 5.728 2.595 -3.026 1.00 0.37 C ATOM 0 H VAL A 85 7.411 3.246 -5.098 1.00 0.34 H new ATOM 0 HA VAL A 85 7.868 1.262 -3.126 1.00 0.28 H new ATOM 0 HB VAL A 85 5.549 1.649 -5.002 1.00 0.29 H new ATOM 0 HG11 VAL A 85 4.294 0.304 -3.382 1.00 0.32 H new ATOM 0 HG12 VAL A 85 5.606 -0.646 -4.119 1.00 0.32 H new ATOM 0 HG13 VAL A 85 5.788 -0.009 -2.468 1.00 0.32 H new ATOM 0 HG21 VAL A 85 4.653 2.716 -2.889 1.00 0.37 H new ATOM 0 HG22 VAL A 85 6.190 2.348 -2.070 1.00 0.37 H new ATOM 0 HG23 VAL A 85 6.153 3.525 -3.405 1.00 0.37 H new ATOM 1325 N GLN A 86 7.702 0.008 -6.205 1.00 0.37 N ATOM 1326 CA GLN A 86 8.053 -1.195 -6.958 1.00 0.38 C ATOM 1327 C GLN A 86 9.524 -1.577 -6.779 1.00 0.41 C ATOM 1328 O GLN A 86 9.841 -2.733 -6.530 1.00 0.47 O ATOM 1329 CB GLN A 86 7.712 -0.989 -8.450 1.00 0.49 C ATOM 1330 CG GLN A 86 6.603 -1.919 -8.951 1.00 0.67 C ATOM 1331 CD GLN A 86 7.121 -3.107 -9.754 1.00 1.26 C ATOM 1332 OE1 GLN A 86 7.676 -2.929 -10.831 1.00 1.55 O ATOM 1333 NE2 GLN A 86 6.933 -4.335 -9.281 1.00 2.34 N ATOM 0 H GLN A 86 7.214 0.715 -6.754 1.00 0.37 H new ATOM 0 HA GLN A 86 7.465 -2.025 -6.566 1.00 0.38 H new ATOM 0 HB2 GLN A 86 7.407 0.046 -8.607 1.00 0.49 H new ATOM 0 HB3 GLN A 86 8.610 -1.151 -9.047 1.00 0.49 H new ATOM 0 HG2 GLN A 86 6.036 -2.288 -8.096 1.00 0.67 H new ATOM 0 HG3 GLN A 86 5.912 -1.347 -9.569 1.00 0.67 H new ATOM 0 HE21 GLN A 86 6.469 -4.470 -8.383 1.00 2.34 H new ATOM 0 HE22 GLN A 86 7.252 -5.142 -9.817 1.00 2.34 H new ATOM 1342 N LYS A 87 10.436 -0.614 -6.883 1.00 0.43 N ATOM 1343 CA LYS A 87 11.853 -0.834 -6.679 1.00 0.49 C ATOM 1344 C LYS A 87 12.123 -1.375 -5.279 1.00 0.47 C ATOM 1345 O LYS A 87 12.798 -2.389 -5.126 1.00 0.54 O ATOM 1346 CB LYS A 87 12.585 0.488 -6.932 1.00 0.62 C ATOM 1347 CG LYS A 87 14.082 0.295 -6.730 1.00 0.79 C ATOM 1348 CD LYS A 87 14.871 1.529 -7.160 1.00 0.80 C ATOM 1349 CE LYS A 87 16.217 1.019 -7.668 1.00 1.83 C ATOM 1350 NZ LYS A 87 17.158 2.116 -7.972 1.00 2.13 N ATOM 0 H LYS A 87 10.202 0.351 -7.115 1.00 0.43 H new ATOM 0 HA LYS A 87 12.222 -1.586 -7.377 1.00 0.49 H new ATOM 0 HB2 LYS A 87 12.387 0.836 -7.946 1.00 0.62 H new ATOM 0 HB3 LYS A 87 12.213 1.256 -6.254 1.00 0.62 H new ATOM 0 HG2 LYS A 87 14.283 0.081 -5.680 1.00 0.79 H new ATOM 0 HG3 LYS A 87 14.418 -0.570 -7.302 1.00 0.79 H new ATOM 0 HD2 LYS A 87 14.342 2.076 -7.941 1.00 0.80 H new ATOM 0 HD3 LYS A 87 15.005 2.216 -6.324 1.00 0.80 H new ATOM 0 HE2 LYS A 87 16.659 0.362 -6.919 1.00 1.83 H new ATOM 0 HE3 LYS A 87 16.060 0.420 -8.565 1.00 1.83 H new ATOM 0 HZ1 LYS A 87 18.056 1.718 -8.313 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 16.750 2.730 -8.706 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 17.331 2.674 -7.111 1.00 2.13 H new ATOM 1364 N ASN A 88 11.630 -0.684 -4.255 1.00 0.41 N ATOM 1365 CA ASN A 88 11.918 -1.030 -2.869 1.00 0.38 C ATOM 1366 C ASN A 88 11.047 -2.194 -2.389 1.00 0.44 C ATOM 1367 O ASN A 88 11.208 -2.654 -1.262 1.00 0.75 O ATOM 1368 CB ASN A 88 11.683 0.193 -1.970 1.00 0.37 C ATOM 1369 CG ASN A 88 12.607 1.364 -2.293 1.00 0.46 C ATOM 1370 OD1 ASN A 88 13.520 1.260 -3.107 1.00 0.87 O ATOM 1371 ND2 ASN A 88 12.387 2.510 -1.661 1.00 0.91 N ATOM 0 H ASN A 88 11.022 0.128 -4.363 1.00 0.41 H new ATOM 0 HA ASN A 88 12.961 -1.340 -2.810 1.00 0.38 H new ATOM 0 HB2 ASN A 88 10.647 0.517 -2.072 1.00 0.37 H new ATOM 0 HB3 ASN A 88 11.825 -0.097 -0.929 1.00 0.37 H new ATOM 0 HD21 ASN A 88 12.980 3.318 -1.849 1.00 0.91 H new ATOM 0 HD22 ASN A 88 11.625 2.583 -0.987 1.00 0.91 H new ATOM 1378 N ALA A 89 10.079 -2.625 -3.200 1.00 0.33 N ATOM 1379 CA ALA A 89 8.973 -3.462 -2.786 1.00 0.35 C ATOM 1380 C ALA A 89 8.290 -4.057 -4.018 1.00 0.48 C ATOM 1381 O ALA A 89 7.105 -3.809 -4.265 1.00 0.52 O ATOM 1382 CB ALA A 89 7.976 -2.596 -2.023 1.00 0.37 C ATOM 0 H ALA A 89 10.051 -2.389 -4.192 1.00 0.33 H new ATOM 0 HA ALA A 89 9.333 -4.273 -2.153 1.00 0.35 H new ATOM 0 HB1 ALA A 89 7.133 -3.208 -1.702 1.00 0.37 H new ATOM 0 HB2 ALA A 89 8.464 -2.163 -1.150 1.00 0.37 H new ATOM 0 HB3 ALA A 89 7.617 -1.797 -2.672 1.00 0.37 H new ATOM 1388 N PRO A 90 9.012 -4.875 -4.792 1.00 0.64 N ATOM 1389 CA PRO A 90 8.522 -5.384 -6.063 1.00 0.83 C ATOM 1390 C PRO A 90 7.212 -6.138 -5.850 1.00 1.19 C ATOM 1391 O PRO A 90 6.261 -5.975 -6.616 1.00 2.58 O ATOM 1392 CB PRO A 90 9.670 -6.233 -6.628 1.00 0.96 C ATOM 1393 CG PRO A 90 10.555 -6.550 -5.418 1.00 0.90 C ATOM 1394 CD PRO A 90 10.361 -5.335 -4.517 1.00 0.71 C ATOM 0 HA PRO A 90 8.269 -4.606 -6.784 1.00 0.83 H new ATOM 0 HB2 PRO A 90 9.296 -7.145 -7.094 1.00 0.96 H new ATOM 0 HB3 PRO A 90 10.225 -5.689 -7.392 1.00 0.96 H new ATOM 0 HG2 PRO A 90 10.247 -7.471 -4.924 1.00 0.90 H new ATOM 0 HG3 PRO A 90 11.599 -6.676 -5.705 1.00 0.90 H new ATOM 0 HD2 PRO A 90 10.481 -5.599 -3.466 1.00 0.71 H new ATOM 0 HD3 PRO A 90 11.095 -4.560 -4.737 1.00 0.71 H new ATOM 1402 N LYS A 91 7.176 -6.915 -4.766 1.00 0.41 N ATOM 1403 CA LYS A 91 6.071 -7.756 -4.340 1.00 0.41 C ATOM 1404 C LYS A 91 4.903 -6.963 -3.744 1.00 0.39 C ATOM 1405 O LYS A 91 3.755 -7.258 -4.063 1.00 0.51 O ATOM 1406 CB LYS A 91 6.604 -8.856 -3.412 1.00 0.45 C ATOM 1407 CG LYS A 91 7.385 -8.342 -2.193 1.00 1.04 C ATOM 1408 CD LYS A 91 7.939 -9.513 -1.373 1.00 1.27 C ATOM 1409 CE LYS A 91 9.455 -9.670 -1.539 1.00 1.96 C ATOM 1410 NZ LYS A 91 10.078 -10.091 -0.268 1.00 2.32 N ATOM 0 H LYS A 91 7.969 -6.973 -4.127 1.00 0.41 H new ATOM 0 HA LYS A 91 5.637 -8.233 -5.219 1.00 0.41 H new ATOM 0 HB2 LYS A 91 5.764 -9.456 -3.062 1.00 0.45 H new ATOM 0 HB3 LYS A 91 7.250 -9.518 -3.989 1.00 0.45 H new ATOM 0 HG2 LYS A 91 8.204 -7.702 -2.522 1.00 1.04 H new ATOM 0 HG3 LYS A 91 6.734 -7.730 -1.569 1.00 1.04 H new ATOM 0 HD2 LYS A 91 7.704 -9.360 -0.320 1.00 1.27 H new ATOM 0 HD3 LYS A 91 7.444 -10.435 -1.679 1.00 1.27 H new ATOM 0 HE2 LYS A 91 9.667 -10.406 -2.315 1.00 1.96 H new ATOM 0 HE3 LYS A 91 9.890 -8.726 -1.868 1.00 1.96 H new ATOM 0 HZ1 LYS A 91 10.969 -10.589 -0.466 1.00 2.32 H new ATOM 0 HZ2 LYS A 91 10.272 -9.254 0.318 1.00 2.32 H new ATOM 0 HZ3 LYS A 91 9.432 -10.727 0.241 1.00 2.32 H new ATOM 1424 N THR A 92 5.143 -5.960 -2.894 1.00 0.32 N ATOM 1425 CA THR A 92 4.060 -5.174 -2.300 1.00 0.32 C ATOM 1426 C THR A 92 3.236 -4.516 -3.391 1.00 0.34 C ATOM 1427 O THR A 92 2.010 -4.566 -3.366 1.00 0.40 O ATOM 1428 CB THR A 92 4.637 -4.104 -1.371 1.00 0.28 C ATOM 1429 OG1 THR A 92 5.687 -4.693 -0.645 1.00 0.33 O ATOM 1430 CG2 THR A 92 3.619 -3.524 -0.382 1.00 0.36 C ATOM 0 H THR A 92 6.078 -5.674 -2.603 1.00 0.32 H new ATOM 0 HA THR A 92 3.419 -5.840 -1.722 1.00 0.32 H new ATOM 0 HB THR A 92 4.968 -3.273 -1.994 1.00 0.28 H new ATOM 0 HG1 THR A 92 5.467 -4.688 0.310 1.00 0.33 H new ATOM 0 HG21 THR A 92 4.104 -2.773 0.241 1.00 0.36 H new ATOM 0 HG22 THR A 92 2.798 -3.064 -0.932 1.00 0.36 H new ATOM 0 HG23 THR A 92 3.230 -4.323 0.250 1.00 0.36 H new ATOM 1438 N PHE A 93 3.909 -3.917 -4.372 1.00 0.34 N ATOM 1439 CA PHE A 93 3.196 -3.347 -5.504 1.00 0.40 C ATOM 1440 C PHE A 93 2.397 -4.419 -6.210 1.00 0.45 C ATOM 1441 O PHE A 93 1.228 -4.224 -6.537 1.00 0.48 O ATOM 1442 CB PHE A 93 4.191 -2.726 -6.477 1.00 0.44 C ATOM 1443 CG PHE A 93 3.633 -1.606 -7.339 1.00 0.62 C ATOM 1444 CD1 PHE A 93 2.648 -1.865 -8.312 1.00 1.79 C ATOM 1445 CD2 PHE A 93 4.093 -0.288 -7.156 1.00 1.60 C ATOM 1446 CE1 PHE A 93 2.105 -0.812 -9.069 1.00 1.92 C ATOM 1447 CE2 PHE A 93 3.545 0.765 -7.905 1.00 1.72 C ATOM 1448 CZ PHE A 93 2.550 0.505 -8.862 1.00 1.14 C ATOM 0 H PHE A 93 4.924 -3.817 -4.404 1.00 0.34 H new ATOM 0 HA PHE A 93 2.514 -2.578 -5.141 1.00 0.40 H new ATOM 0 HB2 PHE A 93 5.038 -2.340 -5.910 1.00 0.44 H new ATOM 0 HB3 PHE A 93 4.575 -3.510 -7.130 1.00 0.44 H new ATOM 0 HD1 PHE A 93 2.308 -2.877 -8.477 1.00 1.79 H new ATOM 0 HD2 PHE A 93 4.872 -0.086 -6.435 1.00 1.60 H new ATOM 0 HE1 PHE A 93 1.346 -1.015 -9.810 1.00 1.92 H new ATOM 0 HE2 PHE A 93 3.889 1.776 -7.745 1.00 1.72 H new ATOM 0 HZ PHE A 93 2.128 1.316 -9.438 1.00 1.14 H new ATOM 1458 N GLN A 94 3.047 -5.557 -6.447 1.00 0.49 N ATOM 1459 CA GLN A 94 2.421 -6.680 -7.113 1.00 0.58 C ATOM 1460 C GLN A 94 1.102 -7.055 -6.436 1.00 0.52 C ATOM 1461 O GLN A 94 0.184 -7.487 -7.119 1.00 0.55 O ATOM 1462 CB GLN A 94 3.377 -7.879 -7.154 1.00 0.75 C ATOM 1463 CG GLN A 94 3.435 -8.494 -8.554 1.00 1.05 C ATOM 1464 CD GLN A 94 4.349 -9.717 -8.591 1.00 1.19 C ATOM 1465 OE1 GLN A 94 5.122 -9.966 -7.674 1.00 1.39 O ATOM 1466 NE2 GLN A 94 4.280 -10.501 -9.658 1.00 1.60 N ATOM 0 H GLN A 94 4.018 -5.719 -6.181 1.00 0.49 H new ATOM 0 HA GLN A 94 2.195 -6.386 -8.138 1.00 0.58 H new ATOM 0 HB2 GLN A 94 4.375 -7.562 -6.852 1.00 0.75 H new ATOM 0 HB3 GLN A 94 3.051 -8.632 -6.437 1.00 0.75 H new ATOM 0 HG2 GLN A 94 2.431 -8.779 -8.869 1.00 1.05 H new ATOM 0 HG3 GLN A 94 3.793 -7.749 -9.265 1.00 1.05 H new ATOM 0 HE21 GLN A 94 3.631 -10.279 -10.413 1.00 1.60 H new ATOM 0 HE22 GLN A 94 4.876 -11.326 -9.724 1.00 1.60 H new ATOM 1475 N PHE A 95 1.004 -6.879 -5.115 1.00 0.48 N ATOM 1476 CA PHE A 95 -0.173 -7.224 -4.331 1.00 0.49 C ATOM 1477 C PHE A 95 -1.394 -6.474 -4.856 1.00 0.45 C ATOM 1478 O PHE A 95 -2.368 -7.081 -5.295 1.00 0.51 O ATOM 1479 CB PHE A 95 0.097 -6.903 -2.853 1.00 0.62 C ATOM 1480 CG PHE A 95 -0.809 -7.598 -1.859 1.00 0.75 C ATOM 1481 CD1 PHE A 95 -2.200 -7.382 -1.869 1.00 0.73 C ATOM 1482 CD2 PHE A 95 -0.244 -8.443 -0.889 1.00 1.06 C ATOM 1483 CE1 PHE A 95 -3.021 -8.037 -0.934 1.00 0.87 C ATOM 1484 CE2 PHE A 95 -1.060 -9.087 0.051 1.00 1.21 C ATOM 1485 CZ PHE A 95 -2.453 -8.895 0.025 1.00 1.06 C ATOM 0 H PHE A 95 1.759 -6.484 -4.555 1.00 0.48 H new ATOM 0 HA PHE A 95 -0.382 -8.290 -4.421 1.00 0.49 H new ATOM 0 HB2 PHE A 95 1.129 -7.168 -2.624 1.00 0.62 H new ATOM 0 HB3 PHE A 95 0.005 -5.826 -2.711 1.00 0.62 H new ATOM 0 HD1 PHE A 95 -2.637 -6.713 -2.595 1.00 0.73 H new ATOM 0 HD2 PHE A 95 0.825 -8.597 -0.868 1.00 1.06 H new ATOM 0 HE1 PHE A 95 -4.090 -7.881 -0.952 1.00 0.87 H new ATOM 0 HE2 PHE A 95 -0.618 -9.732 0.796 1.00 1.21 H new ATOM 0 HZ PHE A 95 -3.084 -9.404 0.738 1.00 1.06 H new ATOM 1495 N ILE A 96 -1.366 -5.143 -4.790 1.00 0.50 N ATOM 1496 CA ILE A 96 -2.485 -4.344 -5.261 1.00 0.65 C ATOM 1497 C ILE A 96 -2.665 -4.566 -6.761 1.00 0.63 C ATOM 1498 O ILE A 96 -3.790 -4.577 -7.242 1.00 0.79 O ATOM 1499 CB ILE A 96 -2.315 -2.858 -4.912 1.00 0.80 C ATOM 1500 CG1 ILE A 96 -2.471 -2.620 -3.400 1.00 1.11 C ATOM 1501 CG2 ILE A 96 -3.383 -2.031 -5.636 1.00 0.99 C ATOM 1502 CD1 ILE A 96 -1.118 -2.615 -2.704 1.00 0.78 C ATOM 0 H ILE A 96 -0.585 -4.603 -4.417 1.00 0.50 H new ATOM 0 HA ILE A 96 -3.391 -4.668 -4.749 1.00 0.65 H new ATOM 0 HB ILE A 96 -1.315 -2.557 -5.224 1.00 0.80 H new ATOM 0 HG12 ILE A 96 -2.975 -1.669 -3.229 1.00 1.11 H new ATOM 0 HG13 ILE A 96 -3.102 -3.398 -2.969 1.00 1.11 H new ATOM 0 HG21 ILE A 96 -3.259 -0.977 -5.386 1.00 0.99 H new ATOM 0 HG22 ILE A 96 -3.277 -2.163 -6.713 1.00 0.99 H new ATOM 0 HG23 ILE A 96 -4.373 -2.364 -5.325 1.00 0.99 H new ATOM 0 HD11 ILE A 96 -1.259 -2.445 -1.637 1.00 0.78 H new ATOM 0 HD12 ILE A 96 -0.627 -3.576 -2.857 1.00 0.78 H new ATOM 0 HD13 ILE A 96 -0.498 -1.821 -3.120 1.00 0.78 H new ATOM 1514 N ASN A 97 -1.569 -4.732 -7.505 1.00 0.54 N ATOM 1515 CA ASN A 97 -1.653 -4.938 -8.945 1.00 0.65 C ATOM 1516 C ASN A 97 -2.507 -6.173 -9.269 1.00 0.70 C ATOM 1517 O ASN A 97 -3.304 -6.158 -10.203 1.00 0.77 O ATOM 1518 CB ASN A 97 -0.239 -5.044 -9.536 1.00 0.70 C ATOM 1519 CG ASN A 97 -0.190 -4.605 -10.995 1.00 0.92 C ATOM 1520 OD1 ASN A 97 -1.062 -4.910 -11.792 1.00 2.11 O ATOM 1521 ND2 ASN A 97 0.837 -3.857 -11.380 1.00 1.91 N ATOM 0 H ASN A 97 -0.619 -4.727 -7.133 1.00 0.54 H new ATOM 0 HA ASN A 97 -2.147 -4.082 -9.404 1.00 0.65 H new ATOM 0 HB2 ASN A 97 0.445 -4.429 -8.950 1.00 0.70 H new ATOM 0 HB3 ASN A 97 0.110 -6.074 -9.456 1.00 0.70 H new ATOM 0 HD21 ASN A 97 0.899 -3.535 -12.346 1.00 1.91 H new ATOM 0 HD22 ASN A 97 1.564 -3.605 -10.710 1.00 1.91 H new ATOM 1528 N ASP A 98 -2.365 -7.231 -8.463 1.00 0.65 N ATOM 1529 CA ASP A 98 -3.123 -8.478 -8.566 1.00 0.72 C ATOM 1530 C ASP A 98 -4.614 -8.195 -8.460 1.00 0.84 C ATOM 1531 O ASP A 98 -5.434 -8.825 -9.126 1.00 1.06 O ATOM 1532 CB ASP A 98 -2.727 -9.431 -7.424 1.00 0.63 C ATOM 1533 CG ASP A 98 -2.716 -10.913 -7.804 1.00 0.94 C ATOM 1534 OD1 ASP A 98 -2.896 -11.224 -9.001 1.00 1.61 O ATOM 1535 OD2 ASP A 98 -2.475 -11.727 -6.881 1.00 2.19 O ATOM 0 H ASP A 98 -1.695 -7.240 -7.694 1.00 0.65 H new ATOM 0 HA ASP A 98 -2.899 -8.936 -9.530 1.00 0.72 H new ATOM 0 HB2 ASP A 98 -1.736 -9.154 -7.065 1.00 0.63 H new ATOM 0 HB3 ASP A 98 -3.418 -9.288 -6.593 1.00 0.63 H new ATOM 1540 N GLN A 99 -4.974 -7.248 -7.589 1.00 0.87 N ATOM 1541 CA GLN A 99 -6.353 -6.856 -7.388 1.00 1.15 C ATOM 1542 C GLN A 99 -6.788 -5.922 -8.522 1.00 1.52 C ATOM 1543 O GLN A 99 -6.992 -4.723 -8.330 1.00 1.92 O ATOM 1544 CB GLN A 99 -6.527 -6.180 -6.023 1.00 1.34 C ATOM 1545 CG GLN A 99 -6.202 -7.114 -4.848 1.00 1.32 C ATOM 1546 CD GLN A 99 -7.182 -8.281 -4.753 1.00 1.62 C ATOM 1547 OE1 GLN A 99 -6.818 -9.433 -4.938 1.00 2.70 O ATOM 1548 NE2 GLN A 99 -8.447 -8.007 -4.459 1.00 2.38 N ATOM 0 H GLN A 99 -4.310 -6.737 -7.008 1.00 0.87 H new ATOM 0 HA GLN A 99 -6.985 -7.744 -7.401 1.00 1.15 H new ATOM 0 HB2 GLN A 99 -5.882 -5.303 -5.973 1.00 1.34 H new ATOM 0 HB3 GLN A 99 -7.554 -5.826 -5.926 1.00 1.34 H new ATOM 0 HG2 GLN A 99 -5.189 -7.500 -4.962 1.00 1.32 H new ATOM 0 HG3 GLN A 99 -6.224 -6.546 -3.918 1.00 1.32 H new ATOM 0 HE21 GLN A 99 -8.738 -7.041 -4.307 1.00 2.38 H new ATOM 0 HE22 GLN A 99 -9.129 -8.762 -4.385 1.00 2.38 H new ATOM 1557 N ILE A 100 -6.932 -6.484 -9.721 1.00 2.18 N ATOM 1558 CA ILE A 100 -7.330 -5.747 -10.905 1.00 2.66 C ATOM 1559 C ILE A 100 -8.783 -5.291 -10.740 1.00 2.55 C ATOM 1560 O ILE A 100 -9.518 -5.843 -9.926 1.00 3.04 O ATOM 1561 CB ILE A 100 -7.093 -6.622 -12.158 1.00 3.98 C ATOM 1562 CG1 ILE A 100 -6.637 -5.774 -13.356 1.00 4.66 C ATOM 1563 CG2 ILE A 100 -8.329 -7.447 -12.543 1.00 4.88 C ATOM 1564 CD1 ILE A 100 -5.161 -5.377 -13.228 1.00 5.30 C ATOM 0 H ILE A 100 -6.772 -7.477 -9.893 1.00 2.18 H new ATOM 0 HA ILE A 100 -6.727 -4.849 -11.037 1.00 2.66 H new ATOM 0 HB ILE A 100 -6.298 -7.319 -11.894 1.00 3.98 H new ATOM 0 HG12 ILE A 100 -6.786 -6.334 -14.279 1.00 4.66 H new ATOM 0 HG13 ILE A 100 -7.252 -4.877 -13.425 1.00 4.66 H new ATOM 0 HG21 ILE A 100 -8.108 -8.043 -13.429 1.00 4.88 H new ATOM 0 HG22 ILE A 100 -8.596 -8.108 -11.719 1.00 4.88 H new ATOM 0 HG23 ILE A 100 -9.162 -6.777 -12.755 1.00 4.88 H new ATOM 0 HD11 ILE A 100 -4.869 -4.778 -14.091 1.00 5.30 H new ATOM 0 HD12 ILE A 100 -5.018 -4.795 -12.317 1.00 5.30 H new ATOM 0 HD13 ILE A 100 -4.545 -6.275 -13.185 1.00 5.30 H new ATOM 1576 N LYS A 101 -9.207 -4.304 -11.540 1.00 3.23 N ATOM 1577 CA LYS A 101 -10.460 -3.580 -11.341 1.00 3.71 C ATOM 1578 C LYS A 101 -10.524 -3.047 -9.913 1.00 2.79 C ATOM 1579 O LYS A 101 -11.180 -3.607 -9.038 1.00 3.44 O ATOM 1580 CB LYS A 101 -11.688 -4.423 -11.740 1.00 5.45 C ATOM 1581 CG LYS A 101 -11.916 -4.413 -13.259 1.00 6.68 C ATOM 1582 CD LYS A 101 -12.564 -3.095 -13.715 1.00 7.65 C ATOM 1583 CE LYS A 101 -12.490 -2.926 -15.237 1.00 8.61 C ATOM 1584 NZ LYS A 101 -13.499 -3.740 -15.949 1.00 9.38 N ATOM 0 H LYS A 101 -8.680 -3.985 -12.353 1.00 3.23 H new ATOM 0 HA LYS A 101 -10.484 -2.721 -12.012 1.00 3.71 H new ATOM 0 HB2 LYS A 101 -11.551 -5.449 -11.400 1.00 5.45 H new ATOM 0 HB3 LYS A 101 -12.574 -4.036 -11.237 1.00 5.45 H new ATOM 0 HG2 LYS A 101 -10.965 -4.551 -13.773 1.00 6.68 H new ATOM 0 HG3 LYS A 101 -12.554 -5.251 -13.539 1.00 6.68 H new ATOM 0 HD2 LYS A 101 -13.606 -3.072 -13.396 1.00 7.65 H new ATOM 0 HD3 LYS A 101 -12.064 -2.256 -13.231 1.00 7.65 H new ATOM 0 HE2 LYS A 101 -12.632 -1.875 -15.490 1.00 8.61 H new ATOM 0 HE3 LYS A 101 -11.494 -3.205 -15.582 1.00 8.61 H new ATOM 0 HZ1 LYS A 101 -13.406 -3.589 -16.974 1.00 9.38 H new ATOM 0 HZ2 LYS A 101 -13.349 -4.746 -15.732 1.00 9.38 H new ATOM 0 HZ3 LYS A 101 -14.452 -3.458 -15.643 1.00 9.38 H new ATOM 1598 N PHE A 102 -9.856 -1.907 -9.718 1.00 3.30 N ATOM 1599 CA PHE A 102 -9.932 -1.129 -8.495 1.00 4.01 C ATOM 1600 C PHE A 102 -11.386 -0.896 -8.110 1.00 3.53 C ATOM 1601 O PHE A 102 -12.267 -0.915 -8.971 1.00 3.81 O ATOM 1602 CB PHE A 102 -9.232 0.218 -8.699 1.00 5.82 C ATOM 1603 CG PHE A 102 -7.765 0.098 -9.042 1.00 7.35 C ATOM 1604 CD1 PHE A 102 -6.870 -0.383 -8.073 1.00 8.76 C ATOM 1605 CD2 PHE A 102 -7.292 0.447 -10.322 1.00 7.95 C ATOM 1606 CE1 PHE A 102 -5.503 -0.496 -8.371 1.00 10.57 C ATOM 1607 CE2 PHE A 102 -5.924 0.322 -10.623 1.00 9.66 C ATOM 1608 CZ PHE A 102 -5.028 -0.145 -9.645 1.00 10.92 C ATOM 0 H PHE A 102 -9.240 -1.499 -10.421 1.00 3.30 H new ATOM 0 HA PHE A 102 -9.438 -1.679 -7.694 1.00 4.01 H new ATOM 0 HB2 PHE A 102 -9.738 0.763 -9.496 1.00 5.82 H new ATOM 0 HB3 PHE A 102 -9.336 0.812 -7.791 1.00 5.82 H new ATOM 0 HD1 PHE A 102 -7.234 -0.667 -7.097 1.00 8.76 H new ATOM 0 HD2 PHE A 102 -7.979 0.810 -11.072 1.00 7.95 H new ATOM 0 HE1 PHE A 102 -4.815 -0.854 -7.619 1.00 10.57 H new ATOM 0 HE2 PHE A 102 -5.561 0.585 -11.606 1.00 9.66 H new ATOM 0 HZ PHE A 102 -3.976 -0.234 -9.873 1.00 10.92 H new ATOM 1618 N ILE A 103 -11.627 -0.665 -6.817 1.00 3.30 N ATOM 1619 CA ILE A 103 -12.980 -0.542 -6.314 1.00 2.90 C ATOM 1620 C ILE A 103 -13.719 0.544 -7.099 1.00 2.97 C ATOM 1621 O ILE A 103 -13.200 1.639 -7.308 1.00 3.59 O ATOM 1622 CB ILE A 103 -12.975 -0.361 -4.786 1.00 2.76 C ATOM 1623 CG1 ILE A 103 -14.273 -0.856 -4.130 1.00 2.58 C ATOM 1624 CG2 ILE A 103 -12.746 1.099 -4.408 1.00 2.98 C ATOM 1625 CD1 ILE A 103 -14.443 -2.374 -4.252 1.00 3.47 C ATOM 0 H ILE A 103 -10.900 -0.561 -6.109 1.00 3.30 H new ATOM 0 HA ILE A 103 -13.542 -1.461 -6.478 1.00 2.90 H new ATOM 0 HB ILE A 103 -12.153 -0.970 -4.411 1.00 2.76 H new ATOM 0 HG12 ILE A 103 -14.275 -0.576 -3.077 1.00 2.58 H new ATOM 0 HG13 ILE A 103 -15.125 -0.359 -4.594 1.00 2.58 H new ATOM 0 HG21 ILE A 103 -12.747 1.198 -3.323 1.00 2.98 H new ATOM 0 HG22 ILE A 103 -11.785 1.430 -4.802 1.00 2.98 H new ATOM 0 HG23 ILE A 103 -13.542 1.713 -4.829 1.00 2.98 H new ATOM 0 HD11 ILE A 103 -15.375 -2.675 -3.773 1.00 3.47 H new ATOM 0 HD12 ILE A 103 -14.469 -2.654 -5.305 1.00 3.47 H new ATOM 0 HD13 ILE A 103 -13.606 -2.874 -3.764 1.00 3.47 H new ATOM 1637 N ILE A 104 -14.908 0.203 -7.591 1.00 2.95 N ATOM 1638 CA ILE A 104 -15.739 1.144 -8.315 1.00 3.23 C ATOM 1639 C ILE A 104 -16.137 2.280 -7.373 1.00 3.11 C ATOM 1640 O ILE A 104 -16.179 2.085 -6.161 1.00 3.79 O ATOM 1641 CB ILE A 104 -16.958 0.439 -8.943 1.00 4.30 C ATOM 1642 CG1 ILE A 104 -18.029 -0.046 -7.943 1.00 4.89 C ATOM 1643 CG2 ILE A 104 -16.503 -0.707 -9.863 1.00 5.71 C ATOM 1644 CD1 ILE A 104 -17.577 -1.086 -6.912 1.00 6.08 C ATOM 0 H ILE A 104 -15.314 -0.728 -7.497 1.00 2.95 H new ATOM 0 HA ILE A 104 -15.178 1.571 -9.147 1.00 3.23 H new ATOM 0 HB ILE A 104 -17.460 1.209 -9.528 1.00 4.30 H new ATOM 0 HG12 ILE A 104 -18.414 0.822 -7.407 1.00 4.89 H new ATOM 0 HG13 ILE A 104 -18.860 -0.465 -8.509 1.00 4.89 H new ATOM 0 HG21 ILE A 104 -17.376 -1.193 -10.298 1.00 5.71 H new ATOM 0 HG22 ILE A 104 -15.876 -0.307 -10.660 1.00 5.71 H new ATOM 0 HG23 ILE A 104 -15.933 -1.434 -9.284 1.00 5.71 H new ATOM 0 HD11 ILE A 104 -18.416 -1.347 -6.267 1.00 6.08 H new ATOM 0 HD12 ILE A 104 -17.223 -1.979 -7.427 1.00 6.08 H new ATOM 0 HD13 ILE A 104 -16.770 -0.672 -6.308 1.00 6.08 H new ATOM 1656 N ASN A 105 -16.453 3.442 -7.952 1.00 3.50 N ATOM 1657 CA ASN A 105 -16.807 4.679 -7.260 1.00 4.44 C ATOM 1658 C ASN A 105 -15.606 5.246 -6.505 1.00 5.40 C ATOM 1659 O ASN A 105 -15.406 4.958 -5.327 1.00 5.79 O ATOM 1660 CB ASN A 105 -18.034 4.520 -6.345 1.00 4.94 C ATOM 1661 CG ASN A 105 -19.313 4.200 -7.108 1.00 5.62 C ATOM 1662 OD1 ASN A 105 -19.304 3.534 -8.137 1.00 5.92 O ATOM 1663 ND2 ASN A 105 -20.451 4.678 -6.622 1.00 6.56 N ATOM 0 H ASN A 105 -16.469 3.548 -8.966 1.00 3.50 H new ATOM 0 HA ASN A 105 -17.095 5.400 -8.026 1.00 4.44 H new ATOM 0 HB2 ASN A 105 -17.841 3.726 -5.623 1.00 4.94 H new ATOM 0 HB3 ASN A 105 -18.177 5.439 -5.777 1.00 4.94 H new ATOM 0 HD21 ASN A 105 -21.330 4.492 -7.105 1.00 6.56 H new ATOM 0 HD22 ASN A 105 -20.447 5.231 -5.765 1.00 6.56 H new ATOM 1670 N SER A 106 -14.832 6.087 -7.193 1.00 6.44 N ATOM 1671 CA SER A 106 -13.852 6.957 -6.564 1.00 7.84 C ATOM 1672 C SER A 106 -14.544 7.897 -5.582 1.00 8.62 C ATOM 1673 O SER A 106 -15.699 8.275 -5.884 1.00 8.58 O ATOM 1674 CB SER A 106 -13.157 7.783 -7.643 1.00 8.54 C ATOM 1675 OG SER A 106 -12.745 6.946 -8.709 1.00 8.82 O ATOM 1676 OXT SER A 106 -13.879 8.273 -4.595 1.00 9.65 O ATOM 0 H SER A 106 -14.872 6.180 -8.208 1.00 6.44 H new ATOM 0 HA SER A 106 -13.123 6.351 -6.026 1.00 7.84 H new ATOM 0 HB2 SER A 106 -13.834 8.552 -8.015 1.00 8.54 H new ATOM 0 HB3 SER A 106 -12.294 8.296 -7.219 1.00 8.54 H new ATOM 0 HG SER A 106 -12.302 7.486 -9.396 1.00 8.82 H new TER 1682 SER A 106