USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 902 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 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 THR OG1 : rot 80:sc= 0.233 USER MOD Set 2.2: A 107 LYS NZ :NH3+ 154:sc= -0.709 (180deg=-2.17!) USER MOD Set 3.1: A 27 ASN : amide:sc= -0.451! C(o=-3!,f=-2!) USER MOD Set 3.2: A 59 ASN : amide:sc= -2.58! C(o=-3!,f=-2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 0.549 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.51) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 138:sc= -1.1 (180deg=-4.07!) USER MOD Single : A 33 TYR OH : rot -126:sc= 1.15 USER MOD Single : A 37 CYS SG : rot 180:sc= 0.0356 USER MOD Single : A 39 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=-0.28) USER MOD Single : A 40 CYS SG : rot -163:sc= -0.686 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -11.9! C(o=-12!,f=-15!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -137:sc= -1 (180deg=-4.58!) USER MOD Single : A 67 SER OG : rot 120:sc= 0 USER MOD Single : A 68 THR OG1 : rot 100:sc= -2.56! USER MOD Single : A 70 ASN : amide:sc= 0.414 K(o=0.41,f=-2.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.668 X(o=-0.67,f=-1.1) USER MOD Single : A 79 SER OG : rot 31:sc= 1.16 USER MOD Single : A 82 THR OG1 : rot 100:sc= 1.02 USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.104) USER MOD Single : A 97 TYR OH : rot -80:sc= 1.34 USER MOD Single : A 98 ASN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 91:sc= 0.344 USER MOD Single : A 115 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0115 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.220 -15.357 5.249 1.00 0.00 N ATOM 2 CA GLY A 1 -17.270 -16.378 5.650 1.00 0.00 C ATOM 3 C GLY A 1 -15.950 -16.264 4.913 1.00 0.00 C ATOM 4 O GLY A 1 -14.970 -15.756 5.457 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.105 -15.478 5.781 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.823 -14.416 5.447 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.414 -15.444 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.091 -16.302 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.701 -17.362 5.467 1.00 0.00 H new ATOM 8 N SER A 2 -15.924 -16.740 3.672 1.00 0.00 N ATOM 9 CA SER A 2 -14.713 -16.693 2.861 1.00 0.00 C ATOM 10 C SER A 2 -14.356 -15.255 2.500 1.00 0.00 C ATOM 11 O SER A 2 -14.937 -14.671 1.585 1.00 0.00 O ATOM 12 CB SER A 2 -14.894 -17.521 1.587 1.00 0.00 C ATOM 13 OG SER A 2 -16.038 -17.101 0.865 1.00 0.00 O ATOM 0 H SER A 2 -16.727 -17.162 3.207 1.00 0.00 H new ATOM 0 HA SER A 2 -13.897 -17.115 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.008 -17.426 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.990 -18.576 1.845 1.00 0.00 H new ATOM 0 HG SER A 2 -16.093 -16.123 0.879 1.00 0.00 H new ATOM 19 N SER A 3 -13.396 -14.690 3.225 1.00 0.00 N ATOM 20 CA SER A 3 -12.962 -13.319 2.984 1.00 0.00 C ATOM 21 C SER A 3 -12.714 -13.080 1.498 1.00 0.00 C ATOM 22 O SER A 3 -13.280 -12.165 0.901 1.00 0.00 O ATOM 23 CB SER A 3 -11.691 -13.016 3.780 1.00 0.00 C ATOM 24 OG SER A 3 -11.101 -11.800 3.354 1.00 0.00 O ATOM 0 H SER A 3 -12.904 -15.161 3.984 1.00 0.00 H new ATOM 0 HA SER A 3 -13.757 -12.650 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.929 -12.956 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.979 -13.832 3.658 1.00 0.00 H new ATOM 0 HG SER A 3 -10.291 -11.628 3.879 1.00 0.00 H new ATOM 30 N GLY A 4 -11.862 -13.912 0.905 1.00 0.00 N ATOM 31 CA GLY A 4 -11.553 -13.776 -0.506 1.00 0.00 C ATOM 32 C GLY A 4 -11.026 -15.062 -1.111 1.00 0.00 C ATOM 33 O GLY A 4 -9.856 -15.404 -0.939 1.00 0.00 O ATOM 0 H GLY A 4 -11.381 -14.677 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.450 -13.466 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.814 -12.986 -0.638 1.00 0.00 H new ATOM 37 N SER A 5 -11.893 -15.779 -1.819 1.00 0.00 N ATOM 38 CA SER A 5 -11.510 -17.039 -2.447 1.00 0.00 C ATOM 39 C SER A 5 -10.331 -16.838 -3.394 1.00 0.00 C ATOM 40 O SER A 5 -10.412 -16.066 -4.349 1.00 0.00 O ATOM 41 CB SER A 5 -12.696 -17.634 -3.209 1.00 0.00 C ATOM 42 OG SER A 5 -13.596 -18.283 -2.328 1.00 0.00 O ATOM 0 H SER A 5 -12.865 -15.509 -1.972 1.00 0.00 H new ATOM 0 HA SER A 5 -11.208 -17.731 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.218 -16.844 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.335 -18.344 -3.953 1.00 0.00 H new ATOM 0 HG SER A 5 -14.345 -18.653 -2.840 1.00 0.00 H new ATOM 48 N SER A 6 -9.235 -17.539 -3.121 1.00 0.00 N ATOM 49 CA SER A 6 -8.037 -17.435 -3.945 1.00 0.00 C ATOM 50 C SER A 6 -7.586 -15.983 -4.068 1.00 0.00 C ATOM 51 O SER A 6 -7.198 -15.531 -5.145 1.00 0.00 O ATOM 52 CB SER A 6 -8.296 -18.020 -5.334 1.00 0.00 C ATOM 53 OG SER A 6 -8.054 -19.417 -5.353 1.00 0.00 O ATOM 0 H SER A 6 -9.152 -18.185 -2.336 1.00 0.00 H new ATOM 0 HA SER A 6 -7.243 -18.004 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.327 -17.822 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.655 -17.527 -6.065 1.00 0.00 H new ATOM 0 HG SER A 6 -8.228 -19.767 -6.252 1.00 0.00 H new ATOM 59 N GLY A 7 -7.641 -15.256 -2.956 1.00 0.00 N ATOM 60 CA GLY A 7 -7.236 -13.862 -2.960 1.00 0.00 C ATOM 61 C GLY A 7 -6.068 -13.595 -2.032 1.00 0.00 C ATOM 62 O GLY A 7 -6.151 -13.797 -0.821 1.00 0.00 O ATOM 0 H GLY A 7 -7.959 -15.607 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.965 -13.569 -3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.081 -13.241 -2.664 1.00 0.00 H new ATOM 66 N PRO A 8 -4.946 -13.132 -2.605 1.00 0.00 N ATOM 67 CA PRO A 8 -3.734 -12.829 -1.839 1.00 0.00 C ATOM 68 C PRO A 8 -3.903 -11.603 -0.948 1.00 0.00 C ATOM 69 O PRO A 8 -3.607 -11.645 0.246 1.00 0.00 O ATOM 70 CB PRO A 8 -2.687 -12.562 -2.923 1.00 0.00 C ATOM 71 CG PRO A 8 -3.474 -12.121 -4.109 1.00 0.00 C ATOM 72 CD PRO A 8 -4.776 -12.869 -4.043 1.00 0.00 C ATOM 0 HA PRO A 8 -3.468 -13.639 -1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.979 -11.794 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.108 -13.459 -3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.641 -11.044 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.943 -12.343 -5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.600 -12.278 -4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.738 -13.794 -4.619 1.00 0.00 H new ATOM 80 N VAL A 9 -4.380 -10.510 -1.536 1.00 0.00 N ATOM 81 CA VAL A 9 -4.589 -9.272 -0.796 1.00 0.00 C ATOM 82 C VAL A 9 -6.061 -8.875 -0.794 1.00 0.00 C ATOM 83 O VAL A 9 -6.750 -8.997 -1.807 1.00 0.00 O ATOM 84 CB VAL A 9 -3.758 -8.118 -1.386 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.689 -8.229 -2.901 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.340 -6.775 -0.968 1.00 0.00 C ATOM 0 H VAL A 9 -4.629 -10.457 -2.524 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.264 -9.457 0.228 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.743 -8.187 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.098 -7.405 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.224 -9.176 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.696 -8.186 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.740 -5.970 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.365 -6.694 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.332 -6.697 0.119 1.00 0.00 H new ATOM 96 N LYS A 10 -6.538 -8.399 0.351 1.00 0.00 N ATOM 97 CA LYS A 10 -7.929 -7.981 0.486 1.00 0.00 C ATOM 98 C LYS A 10 -8.182 -6.679 -0.267 1.00 0.00 C ATOM 99 O LYS A 10 -7.292 -5.836 -0.387 1.00 0.00 O ATOM 100 CB LYS A 10 -8.289 -7.806 1.963 1.00 0.00 C ATOM 101 CG LYS A 10 -9.714 -8.215 2.295 1.00 0.00 C ATOM 102 CD LYS A 10 -10.675 -7.046 2.161 1.00 0.00 C ATOM 103 CE LYS A 10 -12.048 -7.386 2.721 1.00 0.00 C ATOM 104 NZ LYS A 10 -12.819 -8.266 1.800 1.00 0.00 N ATOM 0 H LYS A 10 -5.982 -8.293 1.199 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.559 -8.758 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.600 -8.396 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.145 -6.762 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.026 -9.022 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.754 -8.605 3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.271 -6.180 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.768 -6.768 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.935 -7.880 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.606 -6.467 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.749 -8.475 2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.949 -7.784 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.298 -9.154 1.652 1.00 0.00 H new ATOM 118 N VAL A 11 -9.400 -6.521 -0.774 1.00 0.00 N ATOM 119 CA VAL A 11 -9.771 -5.320 -1.513 1.00 0.00 C ATOM 120 C VAL A 11 -10.787 -4.489 -0.738 1.00 0.00 C ATOM 121 O VAL A 11 -11.955 -4.863 -0.625 1.00 0.00 O ATOM 122 CB VAL A 11 -10.357 -5.671 -2.894 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.725 -4.406 -3.654 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.374 -6.515 -3.691 1.00 0.00 C ATOM 0 H VAL A 11 -10.147 -7.210 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.860 -4.738 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.265 -6.255 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.137 -4.673 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.467 -3.844 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.834 -3.793 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.804 -6.754 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.447 -5.959 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.165 -7.438 -3.150 1.00 0.00 H new ATOM 134 N LEU A 12 -10.335 -3.359 -0.206 1.00 0.00 N ATOM 135 CA LEU A 12 -11.205 -2.472 0.559 1.00 0.00 C ATOM 136 C LEU A 12 -11.896 -1.466 -0.356 1.00 0.00 C ATOM 137 O LEU A 12 -11.334 -1.037 -1.363 1.00 0.00 O ATOM 138 CB LEU A 12 -10.399 -1.734 1.630 1.00 0.00 C ATOM 139 CG LEU A 12 -9.492 -2.602 2.503 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.406 -1.756 3.150 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.308 -3.328 3.563 1.00 0.00 C ATOM 0 H LEU A 12 -9.371 -3.035 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.969 -3.081 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.784 -0.980 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.095 -1.203 2.279 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.013 -3.348 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.770 -2.390 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.803 -1.283 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.865 -0.988 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.646 -3.941 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.815 -2.599 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.048 -3.965 3.079 1.00 0.00 H new ATOM 153 N VAL A 13 -13.120 -1.090 0.004 1.00 0.00 N ATOM 154 CA VAL A 13 -13.888 -0.132 -0.782 1.00 0.00 C ATOM 155 C VAL A 13 -14.386 1.017 0.087 1.00 0.00 C ATOM 156 O VAL A 13 -14.433 0.908 1.312 1.00 0.00 O ATOM 157 CB VAL A 13 -15.093 -0.804 -1.465 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.634 -1.661 -2.635 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.879 -1.635 -0.462 1.00 0.00 C ATOM 0 H VAL A 13 -13.600 -1.435 0.835 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.218 0.259 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.750 -0.025 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.499 -2.128 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.118 -1.036 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.955 -2.434 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.727 -2.103 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.233 -2.407 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.241 -0.991 0.340 1.00 0.00 H new ATOM 169 N GLY A 14 -14.757 2.120 -0.556 1.00 0.00 N ATOM 170 CA GLY A 14 -15.248 3.275 0.174 1.00 0.00 C ATOM 171 C GLY A 14 -16.572 3.007 0.861 1.00 0.00 C ATOM 172 O GLY A 14 -17.101 3.867 1.565 1.00 0.00 O ATOM 0 H GLY A 14 -14.726 2.235 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.509 3.571 0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.362 4.114 -0.513 1.00 0.00 H new ATOM 176 N LYS A 15 -17.112 1.810 0.656 1.00 0.00 N ATOM 177 CA LYS A 15 -18.383 1.429 1.260 1.00 0.00 C ATOM 178 C LYS A 15 -18.166 0.795 2.630 1.00 0.00 C ATOM 179 O LYS A 15 -18.803 1.180 3.610 1.00 0.00 O ATOM 180 CB LYS A 15 -19.133 0.455 0.349 1.00 0.00 C ATOM 181 CG LYS A 15 -20.583 0.243 0.747 1.00 0.00 C ATOM 182 CD LYS A 15 -21.400 -0.322 -0.403 1.00 0.00 C ATOM 183 CE LYS A 15 -21.681 0.735 -1.459 1.00 0.00 C ATOM 184 NZ LYS A 15 -22.891 1.539 -1.132 1.00 0.00 N ATOM 0 H LYS A 15 -16.688 1.086 0.075 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.981 2.332 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.097 0.827 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.619 -0.506 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.632 -0.437 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.015 1.190 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.864 -1.157 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -22.342 -0.717 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.819 1.396 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.816 0.254 -2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -23.048 2.248 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.718 0.912 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.753 2.019 -0.220 1.00 0.00 H new ATOM 198 N ASN A 16 -17.263 -0.178 2.691 1.00 0.00 N ATOM 199 CA ASN A 16 -16.962 -0.864 3.942 1.00 0.00 C ATOM 200 C ASN A 16 -15.468 -0.806 4.249 1.00 0.00 C ATOM 201 O ASN A 16 -14.935 -1.661 4.957 1.00 0.00 O ATOM 202 CB ASN A 16 -17.423 -2.321 3.873 1.00 0.00 C ATOM 203 CG ASN A 16 -16.733 -3.094 2.765 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.352 -3.447 1.761 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.445 -3.360 2.944 1.00 0.00 N ATOM 0 H ASN A 16 -16.727 -0.509 1.889 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.500 -0.357 4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.226 -2.807 4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.501 -2.351 3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.927 -3.877 2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.973 -3.047 3.792 1.00 0.00 H new ATOM 212 N PHE A 17 -14.799 0.209 3.712 1.00 0.00 N ATOM 213 CA PHE A 17 -13.367 0.379 3.928 1.00 0.00 C ATOM 214 C PHE A 17 -13.021 0.251 5.408 1.00 0.00 C ATOM 215 O PHE A 17 -12.327 -0.680 5.816 1.00 0.00 O ATOM 216 CB PHE A 17 -12.908 1.740 3.401 1.00 0.00 C ATOM 217 CG PHE A 17 -11.724 2.300 4.136 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.499 1.654 4.098 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.836 3.473 4.866 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.409 2.166 4.775 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.749 3.990 5.544 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.533 3.337 5.498 1.00 0.00 C ATOM 0 H PHE A 17 -15.225 0.926 3.125 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.847 -0.408 3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.658 1.646 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.736 2.446 3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.395 0.740 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.784 3.989 4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.460 1.651 4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.850 4.904 6.110 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.681 3.740 6.026 1.00 0.00 H new ATOM 232 N GLU A 18 -13.508 1.195 6.208 1.00 0.00 N ATOM 233 CA GLU A 18 -13.250 1.188 7.643 1.00 0.00 C ATOM 234 C GLU A 18 -13.807 -0.076 8.290 1.00 0.00 C ATOM 235 O GLU A 18 -13.199 -0.639 9.201 1.00 0.00 O ATOM 236 CB GLU A 18 -13.865 2.425 8.300 1.00 0.00 C ATOM 237 CG GLU A 18 -13.217 3.730 7.869 1.00 0.00 C ATOM 238 CD GLU A 18 -13.748 4.926 8.634 1.00 0.00 C ATOM 239 OE1 GLU A 18 -13.611 4.946 9.875 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.301 5.843 7.992 1.00 0.00 O ATOM 0 H GLU A 18 -14.083 1.974 5.887 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.170 1.205 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.928 2.461 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.784 2.329 9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.139 3.661 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.387 3.881 6.803 1.00 0.00 H new ATOM 247 N ASP A 19 -14.966 -0.516 7.814 1.00 0.00 N ATOM 248 CA ASP A 19 -15.606 -1.713 8.346 1.00 0.00 C ATOM 249 C ASP A 19 -14.627 -2.883 8.380 1.00 0.00 C ATOM 250 O ASP A 19 -14.648 -3.696 9.304 1.00 0.00 O ATOM 251 CB ASP A 19 -16.829 -2.080 7.504 1.00 0.00 C ATOM 252 CG ASP A 19 -18.077 -1.337 7.940 1.00 0.00 C ATOM 253 OD1 ASP A 19 -18.235 -1.106 9.157 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.894 -0.987 7.064 1.00 0.00 O ATOM 0 H ASP A 19 -15.482 -0.062 7.060 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.927 -1.501 9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.625 -1.858 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.006 -3.153 7.574 1.00 0.00 H new ATOM 259 N VAL A 20 -13.771 -2.961 7.367 1.00 0.00 N ATOM 260 CA VAL A 20 -12.784 -4.031 7.281 1.00 0.00 C ATOM 261 C VAL A 20 -11.414 -3.554 7.751 1.00 0.00 C ATOM 262 O VAL A 20 -10.841 -4.109 8.688 1.00 0.00 O ATOM 263 CB VAL A 20 -12.662 -4.568 5.842 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.554 -5.606 5.752 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.988 -5.150 5.377 1.00 0.00 C ATOM 0 H VAL A 20 -13.741 -2.296 6.594 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.130 -4.833 7.933 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.404 -3.739 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.482 -5.974 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.606 -5.152 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.778 -6.437 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.884 -5.525 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.278 -5.968 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.754 -4.375 5.402 1.00 0.00 H new ATOM 275 N ALA A 21 -10.896 -2.521 7.095 1.00 0.00 N ATOM 276 CA ALA A 21 -9.595 -1.968 7.448 1.00 0.00 C ATOM 277 C ALA A 21 -9.461 -1.797 8.957 1.00 0.00 C ATOM 278 O ALA A 21 -8.604 -2.415 9.588 1.00 0.00 O ATOM 279 CB ALA A 21 -9.379 -0.636 6.744 1.00 0.00 C ATOM 0 H ALA A 21 -11.357 -2.051 6.316 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.829 -2.670 7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.403 -0.234 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.422 -0.784 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.157 0.065 7.045 1.00 0.00 H new ATOM 285 N PHE A 22 -10.314 -0.955 9.531 1.00 0.00 N ATOM 286 CA PHE A 22 -10.290 -0.702 10.967 1.00 0.00 C ATOM 287 C PHE A 22 -10.939 -1.852 11.732 1.00 0.00 C ATOM 288 O PHE A 22 -12.145 -1.847 11.977 1.00 0.00 O ATOM 289 CB PHE A 22 -11.011 0.609 11.287 1.00 0.00 C ATOM 290 CG PHE A 22 -10.170 1.830 11.044 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.899 1.930 11.585 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.651 2.876 10.274 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.124 3.053 11.364 1.00 0.00 C ATOM 294 CE2 PHE A 22 -9.881 4.001 10.049 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.614 4.089 10.594 1.00 0.00 C ATOM 0 H PHE A 22 -11.031 -0.436 9.024 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.249 -0.622 11.280 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.915 0.674 10.682 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.326 0.596 12.330 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.509 1.122 12.186 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.640 2.812 9.844 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.135 3.120 11.794 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.269 4.810 9.448 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.009 4.966 10.418 1.00 0.00 H new ATOM 305 N ASP A 23 -10.129 -2.836 12.107 1.00 0.00 N ATOM 306 CA ASP A 23 -10.622 -3.993 12.845 1.00 0.00 C ATOM 307 C ASP A 23 -9.773 -4.248 14.087 1.00 0.00 C ATOM 308 O ASP A 23 -8.641 -4.719 13.990 1.00 0.00 O ATOM 309 CB ASP A 23 -10.623 -5.233 11.950 1.00 0.00 C ATOM 310 CG ASP A 23 -11.627 -6.274 12.404 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.836 -5.963 12.421 1.00 0.00 O ATOM 312 OD2 ASP A 23 -11.204 -7.400 12.743 1.00 0.00 O ATOM 0 H ASP A 23 -9.128 -2.856 11.912 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.643 -3.782 13.162 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.848 -4.938 10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.626 -5.673 11.943 1.00 0.00 H new ATOM 317 N GLU A 24 -10.329 -3.931 15.252 1.00 0.00 N ATOM 318 CA GLU A 24 -9.621 -4.124 16.512 1.00 0.00 C ATOM 319 C GLU A 24 -9.054 -5.537 16.607 1.00 0.00 C ATOM 320 O GLU A 24 -9.622 -6.484 16.062 1.00 0.00 O ATOM 321 CB GLU A 24 -10.556 -3.857 17.694 1.00 0.00 C ATOM 322 CG GLU A 24 -11.524 -4.995 17.973 1.00 0.00 C ATOM 323 CD GLU A 24 -12.531 -5.191 16.856 1.00 0.00 C ATOM 324 OE1 GLU A 24 -13.112 -4.184 16.399 1.00 0.00 O ATOM 325 OE2 GLU A 24 -12.738 -6.349 16.439 1.00 0.00 O ATOM 0 H GLU A 24 -11.266 -3.540 15.349 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.793 -3.416 16.546 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.957 -3.674 18.586 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.124 -2.947 17.499 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.962 -5.918 18.117 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.054 -4.796 18.904 1.00 0.00 H new ATOM 332 N LYS A 25 -7.930 -5.672 17.303 1.00 0.00 N ATOM 333 CA LYS A 25 -7.284 -6.969 17.471 1.00 0.00 C ATOM 334 C LYS A 25 -6.824 -7.525 16.128 1.00 0.00 C ATOM 335 O LYS A 25 -6.735 -8.740 15.945 1.00 0.00 O ATOM 336 CB LYS A 25 -8.243 -7.955 18.142 1.00 0.00 C ATOM 337 CG LYS A 25 -8.732 -7.496 19.505 1.00 0.00 C ATOM 338 CD LYS A 25 -7.671 -7.695 20.575 1.00 0.00 C ATOM 339 CE LYS A 25 -7.708 -9.105 21.141 1.00 0.00 C ATOM 340 NZ LYS A 25 -6.898 -9.225 22.385 1.00 0.00 N ATOM 0 H LYS A 25 -7.447 -4.899 17.760 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.409 -6.832 18.106 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.103 -8.113 17.491 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.744 -8.918 18.250 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.009 -6.443 19.457 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.631 -8.050 19.775 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.686 -7.497 20.153 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.824 -6.975 21.379 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.740 -9.385 21.351 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.334 -9.806 20.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.949 -10.201 22.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.908 -8.983 22.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.271 -8.575 23.106 1.00 0.00 H new ATOM 354 N LYS A 26 -6.530 -6.630 15.191 1.00 0.00 N ATOM 355 CA LYS A 26 -6.076 -7.031 13.865 1.00 0.00 C ATOM 356 C LYS A 26 -5.277 -5.913 13.202 1.00 0.00 C ATOM 357 O LYS A 26 -5.770 -4.798 13.039 1.00 0.00 O ATOM 358 CB LYS A 26 -7.270 -7.409 12.986 1.00 0.00 C ATOM 359 CG LYS A 26 -6.928 -7.524 11.511 1.00 0.00 C ATOM 360 CD LYS A 26 -6.242 -8.844 11.199 1.00 0.00 C ATOM 361 CE LYS A 26 -7.218 -10.009 11.265 1.00 0.00 C ATOM 362 NZ LYS A 26 -8.420 -9.774 10.418 1.00 0.00 N ATOM 0 H LYS A 26 -6.598 -5.621 15.326 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.427 -7.900 13.979 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.678 -8.359 13.331 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.054 -6.662 13.111 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.838 -7.437 10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.278 -6.698 11.222 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.796 -8.798 10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.429 -9.009 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.717 -10.921 10.940 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.527 -10.166 12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.665 -10.649 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.218 -9.487 11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.218 -9.021 9.729 1.00 0.00 H new ATOM 376 N ASN A 27 -4.041 -6.220 12.821 1.00 0.00 N ATOM 377 CA ASN A 27 -3.175 -5.241 12.175 1.00 0.00 C ATOM 378 C ASN A 27 -3.341 -5.284 10.659 1.00 0.00 C ATOM 379 O ASN A 27 -2.651 -6.036 9.969 1.00 0.00 O ATOM 380 CB ASN A 27 -1.714 -5.498 12.547 1.00 0.00 C ATOM 381 CG ASN A 27 -1.507 -5.594 14.046 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.310 -4.584 14.723 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.551 -6.812 14.572 1.00 0.00 N ATOM 0 H ASN A 27 -3.617 -7.139 12.949 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.463 -4.250 12.526 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.380 -6.423 12.077 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.094 -4.695 12.148 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.419 -6.939 15.575 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.717 -7.621 13.973 1.00 0.00 H new ATOM 390 N VAL A 28 -4.260 -4.473 10.146 1.00 0.00 N ATOM 391 CA VAL A 28 -4.516 -4.416 8.711 1.00 0.00 C ATOM 392 C VAL A 28 -3.665 -3.342 8.043 1.00 0.00 C ATOM 393 O VAL A 28 -3.674 -2.182 8.456 1.00 0.00 O ATOM 394 CB VAL A 28 -6.001 -4.136 8.417 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.265 -4.174 6.919 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.887 -5.134 9.148 1.00 0.00 C ATOM 0 H VAL A 28 -4.840 -3.846 10.703 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.250 -5.391 8.303 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.243 -3.137 8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.320 -3.974 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.658 -3.417 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.007 -5.159 6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.933 -4.921 8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.646 -6.145 8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.718 -5.053 10.222 1.00 0.00 H new ATOM 406 N PHE A 29 -2.931 -3.736 7.008 1.00 0.00 N ATOM 407 CA PHE A 29 -2.073 -2.807 6.281 1.00 0.00 C ATOM 408 C PHE A 29 -2.674 -2.462 4.922 1.00 0.00 C ATOM 409 O PHE A 29 -2.560 -3.230 3.967 1.00 0.00 O ATOM 410 CB PHE A 29 -0.677 -3.405 6.098 1.00 0.00 C ATOM 411 CG PHE A 29 0.302 -2.459 5.463 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.158 -1.089 5.613 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.365 -2.940 4.716 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.058 -0.216 5.031 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.268 -2.072 4.132 1.00 0.00 C ATOM 416 CZ PHE A 29 2.113 -0.708 4.289 1.00 0.00 C ATOM 0 H PHE A 29 -2.913 -4.692 6.654 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.993 -1.891 6.866 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.293 -3.714 7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.753 -4.303 5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.667 -0.699 6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.489 -4.005 4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.936 0.850 5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.094 -2.459 3.554 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.816 -0.028 3.832 1.00 0.00 H new ATOM 426 N VAL A 30 -3.315 -1.300 4.842 1.00 0.00 N ATOM 427 CA VAL A 30 -3.934 -0.851 3.600 1.00 0.00 C ATOM 428 C VAL A 30 -2.919 -0.157 2.700 1.00 0.00 C ATOM 429 O VAL A 30 -1.890 0.330 3.169 1.00 0.00 O ATOM 430 CB VAL A 30 -5.105 0.111 3.873 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.835 0.443 2.580 1.00 0.00 C ATOM 432 CG2 VAL A 30 -6.060 -0.488 4.895 1.00 0.00 C ATOM 0 H VAL A 30 -3.419 -0.652 5.623 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.314 -1.740 3.096 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.703 1.037 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.659 1.124 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.144 0.916 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.226 -0.473 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.881 0.205 5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.457 -1.429 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.527 -0.670 5.828 1.00 0.00 H new ATOM 442 N GLU A 31 -3.215 -0.115 1.405 1.00 0.00 N ATOM 443 CA GLU A 31 -2.327 0.521 0.439 1.00 0.00 C ATOM 444 C GLU A 31 -3.117 1.380 -0.544 1.00 0.00 C ATOM 445 O GLU A 31 -3.802 0.863 -1.427 1.00 0.00 O ATOM 446 CB GLU A 31 -1.525 -0.537 -0.322 1.00 0.00 C ATOM 447 CG GLU A 31 -1.016 -0.060 -1.673 1.00 0.00 C ATOM 448 CD GLU A 31 -0.355 -1.167 -2.471 1.00 0.00 C ATOM 449 OE1 GLU A 31 0.848 -1.419 -2.252 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.041 -1.781 -3.314 1.00 0.00 O ATOM 0 H GLU A 31 -4.062 -0.514 1.001 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.639 1.166 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.676 -0.846 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.150 -1.418 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.848 0.349 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.303 0.750 -1.523 1.00 0.00 H new ATOM 457 N PHE A 32 -3.018 2.695 -0.383 1.00 0.00 N ATOM 458 CA PHE A 32 -3.724 3.627 -1.254 1.00 0.00 C ATOM 459 C PHE A 32 -2.949 3.856 -2.549 1.00 0.00 C ATOM 460 O PHE A 32 -2.009 4.651 -2.590 1.00 0.00 O ATOM 461 CB PHE A 32 -3.946 4.961 -0.537 1.00 0.00 C ATOM 462 CG PHE A 32 -4.818 4.848 0.681 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.198 4.882 0.566 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.257 4.710 1.940 1.00 0.00 C ATOM 465 CE1 PHE A 32 -7.004 4.778 1.685 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.058 4.605 3.062 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.432 4.641 2.934 1.00 0.00 C ATOM 0 H PHE A 32 -2.456 3.139 0.343 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.691 3.190 -1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.980 5.373 -0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.397 5.668 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.650 4.991 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.183 4.684 2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.079 4.804 1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.609 4.495 4.038 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.059 4.562 3.810 1.00 0.00 H new ATOM 477 N TYR A 33 -3.349 3.154 -3.603 1.00 0.00 N ATOM 478 CA TYR A 33 -2.691 3.278 -4.898 1.00 0.00 C ATOM 479 C TYR A 33 -3.571 4.038 -5.886 1.00 0.00 C ATOM 480 O TYR A 33 -4.708 4.391 -5.577 1.00 0.00 O ATOM 481 CB TYR A 33 -2.355 1.894 -5.457 1.00 0.00 C ATOM 482 CG TYR A 33 -3.572 1.093 -5.863 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.190 1.305 -7.089 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.103 0.124 -5.020 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.302 0.576 -7.464 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.214 -0.610 -5.387 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.810 -0.380 -6.610 1.00 0.00 C ATOM 488 OH TYR A 33 -6.917 -1.109 -6.980 1.00 0.00 O ATOM 0 H TYR A 33 -4.126 2.493 -3.586 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.768 3.839 -4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.701 2.010 -6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.796 1.334 -4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.794 2.053 -7.761 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.639 -0.058 -4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.771 0.754 -8.421 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.614 -1.360 -4.720 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.603 -1.037 -6.284 1.00 0.00 H new ATOM 498 N ALA A 34 -3.035 4.285 -7.076 1.00 0.00 N ATOM 499 CA ALA A 34 -3.770 5.000 -8.112 1.00 0.00 C ATOM 500 C ALA A 34 -3.759 4.228 -9.426 1.00 0.00 C ATOM 501 O ALA A 34 -2.725 3.731 -9.873 1.00 0.00 O ATOM 502 CB ALA A 34 -3.186 6.391 -8.309 1.00 0.00 C ATOM 0 H ALA A 34 -2.094 4.000 -7.347 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.806 5.096 -7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.745 6.914 -9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.253 6.949 -7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.141 6.308 -8.607 1.00 0.00 H new ATOM 508 N PRO A 35 -4.935 4.123 -10.062 1.00 0.00 N ATOM 509 CA PRO A 35 -5.086 3.412 -11.335 1.00 0.00 C ATOM 510 C PRO A 35 -4.415 4.144 -12.492 1.00 0.00 C ATOM 511 O PRO A 35 -4.365 3.639 -13.613 1.00 0.00 O ATOM 512 CB PRO A 35 -6.603 3.367 -11.538 1.00 0.00 C ATOM 513 CG PRO A 35 -7.123 4.533 -10.771 1.00 0.00 C ATOM 514 CD PRO A 35 -6.208 4.691 -9.588 1.00 0.00 C ATOM 0 HA PRO A 35 -4.616 2.429 -11.311 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.863 3.440 -12.594 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.024 2.431 -11.170 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.127 5.434 -11.385 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.150 4.362 -10.450 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.099 5.737 -9.301 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.585 4.159 -8.715 1.00 0.00 H new ATOM 522 N TRP A 36 -3.901 5.336 -12.212 1.00 0.00 N ATOM 523 CA TRP A 36 -3.232 6.138 -13.230 1.00 0.00 C ATOM 524 C TRP A 36 -1.805 6.471 -12.810 1.00 0.00 C ATOM 525 O TRP A 36 -1.009 6.957 -13.615 1.00 0.00 O ATOM 526 CB TRP A 36 -4.014 7.427 -13.489 1.00 0.00 C ATOM 527 CG TRP A 36 -4.733 7.939 -12.277 1.00 0.00 C ATOM 528 CD1 TRP A 36 -6.039 7.715 -11.944 1.00 0.00 C ATOM 529 CD2 TRP A 36 -4.187 8.761 -11.241 1.00 0.00 C ATOM 530 NE1 TRP A 36 -6.337 8.350 -10.762 1.00 0.00 N ATOM 531 CE2 TRP A 36 -5.218 8.997 -10.310 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.928 9.320 -11.007 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -5.026 9.768 -9.166 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.739 10.085 -9.872 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.783 10.303 -8.963 1.00 0.00 C ATOM 0 H TRP A 36 -3.935 5.769 -11.289 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.193 5.554 -14.149 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.328 8.194 -13.847 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.738 7.251 -14.285 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.734 7.126 -12.524 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.245 8.341 -10.297 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.117 9.157 -11.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.829 9.937 -8.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.770 10.522 -9.682 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.603 10.905 -8.085 1.00 0.00 H new ATOM 546 N CYS A 37 -1.487 6.207 -11.548 1.00 0.00 N ATOM 547 CA CYS A 37 -0.155 6.480 -11.021 1.00 0.00 C ATOM 548 C CYS A 37 0.857 5.470 -11.554 1.00 0.00 C ATOM 549 O CYS A 37 0.666 4.261 -11.431 1.00 0.00 O ATOM 550 CB CYS A 37 -0.171 6.446 -9.492 1.00 0.00 C ATOM 551 SG CYS A 37 1.472 6.425 -8.737 1.00 0.00 S ATOM 0 H CYS A 37 -2.134 5.804 -10.870 1.00 0.00 H new ATOM 0 HA CYS A 37 0.143 7.475 -11.351 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.716 7.316 -9.126 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.721 5.564 -9.165 1.00 0.00 H new ATOM 0 HG CYS A 37 1.354 6.399 -7.443 1.00 0.00 H new ATOM 557 N GLY A 38 1.934 5.976 -12.147 1.00 0.00 N ATOM 558 CA GLY A 38 2.959 5.105 -12.691 1.00 0.00 C ATOM 559 C GLY A 38 3.629 4.261 -11.625 1.00 0.00 C ATOM 560 O GLY A 38 3.762 3.046 -11.778 1.00 0.00 O ATOM 0 H GLY A 38 2.115 6.973 -12.260 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.515 4.451 -13.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.712 5.708 -13.199 1.00 0.00 H new ATOM 564 N HIS A 39 4.052 4.905 -10.542 1.00 0.00 N ATOM 565 CA HIS A 39 4.713 4.205 -9.446 1.00 0.00 C ATOM 566 C HIS A 39 3.839 3.070 -8.921 1.00 0.00 C ATOM 567 O HIS A 39 4.344 2.065 -8.419 1.00 0.00 O ATOM 568 CB HIS A 39 5.039 5.179 -8.314 1.00 0.00 C ATOM 569 CG HIS A 39 6.215 6.060 -8.602 1.00 0.00 C ATOM 570 ND1 HIS A 39 7.388 5.593 -9.156 1.00 0.00 N ATOM 571 CD2 HIS A 39 6.394 7.389 -8.412 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.238 6.595 -9.292 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.659 7.696 -8.848 1.00 0.00 N ATOM 0 H HIS A 39 3.949 5.910 -10.400 1.00 0.00 H new ATOM 0 HA HIS A 39 5.641 3.779 -9.827 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.167 5.803 -8.120 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.234 4.613 -7.403 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.675 8.079 -7.995 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.237 6.526 -9.697 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.083 8.624 -8.832 1.00 0.00 H new ATOM 582 N CYS A 40 2.526 3.238 -9.039 1.00 0.00 N ATOM 583 CA CYS A 40 1.582 2.228 -8.574 1.00 0.00 C ATOM 584 C CYS A 40 1.694 0.955 -9.406 1.00 0.00 C ATOM 585 O CYS A 40 1.766 -0.149 -8.866 1.00 0.00 O ATOM 586 CB CYS A 40 0.153 2.769 -8.637 1.00 0.00 C ATOM 587 SG CYS A 40 -1.115 1.490 -8.796 1.00 0.00 S ATOM 0 H CYS A 40 2.092 4.063 -9.452 1.00 0.00 H new ATOM 0 HA CYS A 40 1.826 1.987 -7.540 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.044 3.350 -7.736 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.072 3.453 -9.482 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.228 2.030 -9.195 1.00 0.00 H new ATOM 593 N LYS A 41 1.705 1.116 -10.725 1.00 0.00 N ATOM 594 CA LYS A 41 1.807 -0.020 -11.634 1.00 0.00 C ATOM 595 C LYS A 41 2.934 -0.957 -11.210 1.00 0.00 C ATOM 596 O LYS A 41 2.926 -2.141 -11.544 1.00 0.00 O ATOM 597 CB LYS A 41 2.046 0.466 -13.066 1.00 0.00 C ATOM 598 CG LYS A 41 0.804 1.035 -13.730 1.00 0.00 C ATOM 599 CD LYS A 41 1.162 1.934 -14.902 1.00 0.00 C ATOM 600 CE LYS A 41 -0.080 2.545 -15.534 1.00 0.00 C ATOM 601 NZ LYS A 41 -0.739 1.606 -16.483 1.00 0.00 N ATOM 0 H LYS A 41 1.645 2.023 -11.189 1.00 0.00 H new ATOM 0 HA LYS A 41 0.867 -0.570 -11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.825 1.229 -13.057 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.420 -0.364 -13.665 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.169 0.219 -14.076 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.226 1.601 -12.999 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.828 2.728 -14.563 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.707 1.359 -15.650 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.785 2.825 -14.751 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.193 3.460 -16.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.581 2.060 -16.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.075 1.359 -17.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.023 0.743 -15.977 1.00 0.00 H new ATOM 615 N GLN A 42 3.898 -0.418 -10.471 1.00 0.00 N ATOM 616 CA GLN A 42 5.030 -1.208 -10.000 1.00 0.00 C ATOM 617 C GLN A 42 4.736 -1.823 -8.636 1.00 0.00 C ATOM 618 O GLN A 42 5.300 -2.856 -8.274 1.00 0.00 O ATOM 619 CB GLN A 42 6.287 -0.339 -9.921 1.00 0.00 C ATOM 620 CG GLN A 42 6.751 0.184 -11.270 1.00 0.00 C ATOM 621 CD GLN A 42 8.214 0.583 -11.269 1.00 0.00 C ATOM 622 OE1 GLN A 42 9.102 -0.268 -11.322 1.00 0.00 O ATOM 623 NE2 GLN A 42 8.472 1.884 -11.209 1.00 0.00 N ATOM 0 H GLN A 42 3.918 0.561 -10.186 1.00 0.00 H new ATOM 0 HA GLN A 42 5.199 -2.015 -10.713 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.093 0.506 -9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.092 -0.919 -9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.588 -0.582 -12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.144 1.045 -11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.705 2.555 -11.166 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.438 2.213 -11.206 1.00 0.00 H new ATOM 632 N LEU A 43 3.849 -1.182 -7.883 1.00 0.00 N ATOM 633 CA LEU A 43 3.479 -1.666 -6.557 1.00 0.00 C ATOM 634 C LEU A 43 2.396 -2.735 -6.651 1.00 0.00 C ATOM 635 O LEU A 43 2.167 -3.486 -5.703 1.00 0.00 O ATOM 636 CB LEU A 43 2.993 -0.506 -5.687 1.00 0.00 C ATOM 637 CG LEU A 43 3.081 -0.718 -4.175 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.534 -0.771 -3.727 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.333 0.383 -3.437 1.00 0.00 C ATOM 0 H LEU A 43 3.373 -0.326 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 43 4.363 -2.110 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.572 0.381 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.955 -0.295 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 43 2.613 -1.672 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.577 -0.922 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.040 -1.595 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.028 0.167 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.406 0.216 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.771 1.350 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.285 0.373 -3.735 1.00 0.00 H new ATOM 651 N ALA A 44 1.734 -2.801 -7.801 1.00 0.00 N ATOM 652 CA ALA A 44 0.678 -3.781 -8.020 1.00 0.00 C ATOM 653 C ALA A 44 1.162 -5.191 -7.697 1.00 0.00 C ATOM 654 O ALA A 44 0.562 -5.911 -6.898 1.00 0.00 O ATOM 655 CB ALA A 44 0.179 -3.708 -9.456 1.00 0.00 C ATOM 0 H ALA A 44 1.911 -2.187 -8.596 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.147 -3.545 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.610 -4.446 -9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.215 -2.711 -9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.003 -3.915 -10.139 1.00 0.00 H new ATOM 661 N PRO A 45 2.272 -5.596 -8.332 1.00 0.00 N ATOM 662 CA PRO A 45 2.861 -6.923 -8.127 1.00 0.00 C ATOM 663 C PRO A 45 3.479 -7.076 -6.742 1.00 0.00 C ATOM 664 O PRO A 45 3.250 -8.073 -6.056 1.00 0.00 O ATOM 665 CB PRO A 45 3.943 -7.001 -9.207 1.00 0.00 C ATOM 666 CG PRO A 45 4.302 -5.582 -9.487 1.00 0.00 C ATOM 667 CD PRO A 45 3.038 -4.790 -9.297 1.00 0.00 C ATOM 0 HA PRO A 45 2.115 -7.715 -8.193 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.808 -7.567 -8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.573 -7.500 -10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.084 -5.237 -8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.685 -5.469 -10.501 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.244 -3.791 -8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.497 -4.665 -10.235 1.00 0.00 H new ATOM 675 N ILE A 46 4.262 -6.082 -6.336 1.00 0.00 N ATOM 676 CA ILE A 46 4.912 -6.107 -5.031 1.00 0.00 C ATOM 677 C ILE A 46 3.885 -6.209 -3.908 1.00 0.00 C ATOM 678 O ILE A 46 4.094 -6.920 -2.925 1.00 0.00 O ATOM 679 CB ILE A 46 5.776 -4.852 -4.809 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.807 -4.711 -5.931 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.465 -4.916 -3.454 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.157 -3.275 -6.253 1.00 0.00 C ATOM 0 H ILE A 46 4.462 -5.250 -6.891 1.00 0.00 H new ATOM 0 HA ILE A 46 5.554 -6.988 -5.014 1.00 0.00 H new ATOM 0 HB ILE A 46 5.128 -3.976 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.715 -5.243 -5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.422 -5.193 -6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.072 -4.022 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.714 -4.974 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.103 -5.798 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.893 -3.251 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.259 -2.743 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.572 -2.794 -5.367 1.00 0.00 H new ATOM 694 N TRP A 47 2.776 -5.494 -4.061 1.00 0.00 N ATOM 695 CA TRP A 47 1.715 -5.506 -3.060 1.00 0.00 C ATOM 696 C TRP A 47 0.975 -6.838 -3.067 1.00 0.00 C ATOM 697 O TRP A 47 0.555 -7.330 -2.019 1.00 0.00 O ATOM 698 CB TRP A 47 0.733 -4.361 -3.316 1.00 0.00 C ATOM 699 CG TRP A 47 -0.159 -4.073 -2.147 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.510 -4.261 -2.081 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.236 -3.542 -0.877 1.00 0.00 C ATOM 702 NE1 TRP A 47 -1.979 -3.880 -0.846 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.927 -3.436 -0.089 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.459 -3.149 -0.328 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.900 -2.951 1.216 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.485 -2.668 0.967 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.311 -2.573 1.728 1.00 0.00 C ATOM 0 H TRP A 47 2.588 -4.899 -4.868 1.00 0.00 H new ATOM 0 HA TRP A 47 2.172 -5.372 -2.080 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.293 -3.460 -3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.118 -4.606 -4.182 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.121 -4.652 -2.882 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.952 -3.921 -0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.369 -3.220 -0.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.803 -2.876 1.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.425 -2.360 1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.364 -2.194 2.738 1.00 0.00 H new ATOM 718 N ASP A 48 0.819 -7.418 -4.252 1.00 0.00 N ATOM 719 CA ASP A 48 0.130 -8.695 -4.394 1.00 0.00 C ATOM 720 C ASP A 48 0.994 -9.839 -3.873 1.00 0.00 C ATOM 721 O ASP A 48 0.481 -10.860 -3.413 1.00 0.00 O ATOM 722 CB ASP A 48 -0.236 -8.942 -5.858 1.00 0.00 C ATOM 723 CG ASP A 48 -0.378 -10.417 -6.179 1.00 0.00 C ATOM 724 OD1 ASP A 48 -1.006 -11.140 -5.377 1.00 0.00 O ATOM 725 OD2 ASP A 48 0.139 -10.849 -7.230 1.00 0.00 O ATOM 0 H ASP A 48 1.161 -7.024 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.784 -8.654 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.172 -8.432 -6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.530 -8.506 -6.499 1.00 0.00 H new ATOM 730 N LYS A 49 2.309 -9.663 -3.948 1.00 0.00 N ATOM 731 CA LYS A 49 3.246 -10.679 -3.485 1.00 0.00 C ATOM 732 C LYS A 49 3.382 -10.642 -1.966 1.00 0.00 C ATOM 733 O LYS A 49 3.763 -11.633 -1.342 1.00 0.00 O ATOM 734 CB LYS A 49 4.616 -10.474 -4.135 1.00 0.00 C ATOM 735 CG LYS A 49 4.664 -10.890 -5.595 1.00 0.00 C ATOM 736 CD LYS A 49 5.683 -10.075 -6.373 1.00 0.00 C ATOM 737 CE LYS A 49 7.084 -10.648 -6.229 1.00 0.00 C ATOM 738 NZ LYS A 49 8.049 -9.997 -7.158 1.00 0.00 N ATOM 0 H LYS A 49 2.750 -8.825 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 49 2.856 -11.655 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.893 -9.423 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.362 -11.043 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.914 -11.949 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.678 -10.765 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.405 -10.053 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.672 -9.044 -6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.425 -10.519 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.059 -11.720 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.992 -10.416 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.738 -10.142 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.092 -8.978 -6.956 1.00 0.00 H new ATOM 752 N LEU A 50 3.067 -9.494 -1.376 1.00 0.00 N ATOM 753 CA LEU A 50 3.152 -9.328 0.070 1.00 0.00 C ATOM 754 C LEU A 50 1.850 -9.748 0.745 1.00 0.00 C ATOM 755 O LEU A 50 1.858 -10.289 1.849 1.00 0.00 O ATOM 756 CB LEU A 50 3.473 -7.873 0.419 1.00 0.00 C ATOM 757 CG LEU A 50 2.998 -7.391 1.790 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.815 -8.040 2.896 1.00 0.00 C ATOM 759 CD2 LEU A 50 3.085 -5.874 1.880 1.00 0.00 C ATOM 0 H LEU A 50 2.750 -8.664 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 50 3.954 -9.969 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.553 -7.737 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.030 -7.231 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 50 1.956 -7.684 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.463 -7.685 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.703 -9.123 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.866 -7.778 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.743 -5.548 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.118 -5.559 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.456 -5.427 1.110 1.00 0.00 H new ATOM 771 N GLY A 51 0.732 -9.497 0.070 1.00 0.00 N ATOM 772 CA GLY A 51 -0.562 -9.858 0.618 1.00 0.00 C ATOM 773 C GLY A 51 -0.718 -11.355 0.799 1.00 0.00 C ATOM 774 O GLY A 51 -1.213 -11.813 1.828 1.00 0.00 O ATOM 0 H GLY A 51 0.700 -9.050 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.697 -9.363 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.348 -9.491 -0.042 1.00 0.00 H new ATOM 778 N GLU A 52 -0.296 -12.118 -0.204 1.00 0.00 N ATOM 779 CA GLU A 52 -0.394 -13.572 -0.151 1.00 0.00 C ATOM 780 C GLU A 52 0.459 -14.134 0.982 1.00 0.00 C ATOM 781 O GLU A 52 0.221 -15.242 1.464 1.00 0.00 O ATOM 782 CB GLU A 52 0.042 -14.184 -1.484 1.00 0.00 C ATOM 783 CG GLU A 52 1.549 -14.306 -1.634 1.00 0.00 C ATOM 784 CD GLU A 52 1.950 -15.162 -2.820 1.00 0.00 C ATOM 785 OE1 GLU A 52 2.072 -16.393 -2.649 1.00 0.00 O ATOM 786 OE2 GLU A 52 2.140 -14.600 -3.919 1.00 0.00 O ATOM 0 H GLU A 52 0.117 -11.754 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.435 -13.833 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.406 -15.173 -1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.348 -13.574 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.981 -13.311 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.967 -14.735 -0.723 1.00 0.00 H new ATOM 793 N THR A 53 1.456 -13.362 1.403 1.00 0.00 N ATOM 794 CA THR A 53 2.347 -13.782 2.478 1.00 0.00 C ATOM 795 C THR A 53 1.656 -13.687 3.833 1.00 0.00 C ATOM 796 O THR A 53 1.937 -14.470 4.741 1.00 0.00 O ATOM 797 CB THR A 53 3.631 -12.931 2.508 1.00 0.00 C ATOM 798 OG1 THR A 53 4.353 -13.091 1.282 1.00 0.00 O ATOM 799 CG2 THR A 53 4.516 -13.329 3.680 1.00 0.00 C ATOM 0 H THR A 53 1.667 -12.442 1.016 1.00 0.00 H new ATOM 0 HA THR A 53 2.613 -14.821 2.281 1.00 0.00 H new ATOM 0 HB THR A 53 3.346 -11.886 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.952 -12.524 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.417 -12.715 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.973 -13.179 4.613 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.793 -14.379 3.587 1.00 0.00 H new ATOM 807 N TYR A 54 0.750 -12.724 3.964 1.00 0.00 N ATOM 808 CA TYR A 54 0.019 -12.526 5.210 1.00 0.00 C ATOM 809 C TYR A 54 -1.484 -12.662 4.988 1.00 0.00 C ATOM 810 O TYR A 54 -2.288 -12.122 5.748 1.00 0.00 O ATOM 811 CB TYR A 54 0.337 -11.151 5.799 1.00 0.00 C ATOM 812 CG TYR A 54 1.804 -10.947 6.103 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.696 -10.580 5.103 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.297 -11.120 7.390 1.00 0.00 C ATOM 815 CE1 TYR A 54 4.038 -10.393 5.376 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.637 -10.934 7.673 1.00 0.00 C ATOM 817 CZ TYR A 54 4.503 -10.571 6.662 1.00 0.00 C ATOM 818 OH TYR A 54 5.838 -10.385 6.939 1.00 0.00 O ATOM 0 H TYR A 54 0.504 -12.068 3.222 1.00 0.00 H new ATOM 0 HA TYR A 54 0.335 -13.297 5.913 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.009 -10.381 5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.238 -11.016 6.715 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.335 -10.438 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.622 -11.405 8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.718 -10.109 4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.004 -11.072 8.679 1.00 0.00 H new ATOM 0 HH TYR A 54 6.000 -10.549 7.891 1.00 0.00 H new ATOM 828 N LYS A 55 -1.858 -13.387 3.939 1.00 0.00 N ATOM 829 CA LYS A 55 -3.264 -13.597 3.615 1.00 0.00 C ATOM 830 C LYS A 55 -3.941 -14.466 4.670 1.00 0.00 C ATOM 831 O LYS A 55 -5.121 -14.286 4.971 1.00 0.00 O ATOM 832 CB LYS A 55 -3.398 -14.250 2.237 1.00 0.00 C ATOM 833 CG LYS A 55 -3.022 -15.722 2.222 1.00 0.00 C ATOM 834 CD LYS A 55 -2.956 -16.266 0.805 1.00 0.00 C ATOM 835 CE LYS A 55 -1.985 -17.432 0.701 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.620 -18.720 1.099 1.00 0.00 N ATOM 0 H LYS A 55 -1.206 -13.839 3.298 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.758 -12.625 3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.426 -14.143 1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.766 -13.715 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.057 -15.857 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.752 -16.291 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.949 -16.589 0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.648 -15.473 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.618 -17.509 -0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.120 -17.242 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.926 -19.490 1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.948 -18.656 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.430 -18.914 0.477 1.00 0.00 H new ATOM 850 N ASP A 56 -3.188 -15.407 5.228 1.00 0.00 N ATOM 851 CA ASP A 56 -3.715 -16.302 6.251 1.00 0.00 C ATOM 852 C ASP A 56 -2.999 -16.088 7.581 1.00 0.00 C ATOM 853 O ASP A 56 -2.890 -17.007 8.394 1.00 0.00 O ATOM 854 CB ASP A 56 -3.571 -17.759 5.809 1.00 0.00 C ATOM 855 CG ASP A 56 -4.775 -18.249 5.029 1.00 0.00 C ATOM 856 OD1 ASP A 56 -4.972 -17.782 3.887 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.521 -19.098 5.560 1.00 0.00 O ATOM 0 H ASP A 56 -2.210 -15.570 4.989 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.772 -16.075 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.677 -17.862 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.429 -18.390 6.687 1.00 0.00 H new ATOM 862 N HIS A 57 -2.512 -14.870 7.796 1.00 0.00 N ATOM 863 CA HIS A 57 -1.806 -14.536 9.028 1.00 0.00 C ATOM 864 C HIS A 57 -2.745 -14.604 10.229 1.00 0.00 C ATOM 865 O HIS A 57 -3.895 -15.023 10.105 1.00 0.00 O ATOM 866 CB HIS A 57 -1.191 -13.140 8.925 1.00 0.00 C ATOM 867 CG HIS A 57 0.089 -12.992 9.688 1.00 0.00 C ATOM 868 ND1 HIS A 57 0.171 -12.343 10.902 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.343 -13.415 9.404 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.421 -12.372 11.331 1.00 0.00 C ATOM 871 NE2 HIS A 57 2.152 -13.017 10.440 1.00 0.00 N ATOM 0 H HIS A 57 -2.593 -14.099 7.134 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.010 -15.267 9.171 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.008 -12.909 7.876 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.910 -12.407 9.292 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.650 -13.964 8.526 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.783 -11.942 12.253 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.155 -13.191 10.510 1.00 0.00 H new ATOM 880 N GLU A 58 -2.246 -14.190 11.389 1.00 0.00 N ATOM 881 CA GLU A 58 -3.041 -14.206 12.611 1.00 0.00 C ATOM 882 C GLU A 58 -3.532 -12.804 12.959 1.00 0.00 C ATOM 883 O GLU A 58 -4.721 -12.591 13.192 1.00 0.00 O ATOM 884 CB GLU A 58 -2.221 -14.774 13.772 1.00 0.00 C ATOM 885 CG GLU A 58 -1.210 -13.793 14.341 1.00 0.00 C ATOM 886 CD GLU A 58 -0.338 -14.412 15.415 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.866 -15.196 16.231 1.00 0.00 O ATOM 888 OE2 GLU A 58 0.874 -14.111 15.441 1.00 0.00 O ATOM 0 H GLU A 58 -1.296 -13.840 11.508 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.908 -14.844 12.441 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.899 -15.085 14.566 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.696 -15.667 13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.578 -13.420 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.737 -12.934 14.756 1.00 0.00 H new ATOM 895 N ASN A 59 -2.606 -11.851 12.993 1.00 0.00 N ATOM 896 CA ASN A 59 -2.944 -10.469 13.314 1.00 0.00 C ATOM 897 C ASN A 59 -2.479 -9.525 12.209 1.00 0.00 C ATOM 898 O ASN A 59 -2.486 -8.305 12.378 1.00 0.00 O ATOM 899 CB ASN A 59 -2.310 -10.063 14.647 1.00 0.00 C ATOM 900 CG ASN A 59 -0.808 -9.882 14.541 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.328 -8.865 14.040 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.058 -10.871 15.013 1.00 0.00 N ATOM 0 H ASN A 59 -1.617 -12.010 12.802 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.028 -10.396 13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.762 -9.133 14.993 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.530 -10.823 15.397 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.959 -10.806 14.969 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.499 -11.696 15.420 1.00 0.00 H new ATOM 909 N ILE A 60 -2.078 -10.097 11.079 1.00 0.00 N ATOM 910 CA ILE A 60 -1.613 -9.307 9.947 1.00 0.00 C ATOM 911 C ILE A 60 -2.459 -9.572 8.706 1.00 0.00 C ATOM 912 O ILE A 60 -2.404 -10.655 8.124 1.00 0.00 O ATOM 913 CB ILE A 60 -0.137 -9.605 9.621 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.736 -9.380 10.857 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.336 -8.736 8.465 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.196 -9.708 10.633 1.00 0.00 C ATOM 0 H ILE A 60 -2.066 -11.105 10.923 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.710 -8.260 10.233 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.049 -10.650 9.323 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.649 -8.339 11.169 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.356 -9.991 11.676 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.381 -8.958 8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.271 -8.942 7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.238 -7.685 8.736 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.755 -9.525 11.551 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.294 -10.756 10.351 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.592 -9.079 9.836 1.00 0.00 H new ATOM 928 N VAL A 61 -3.242 -8.575 8.306 1.00 0.00 N ATOM 929 CA VAL A 61 -4.098 -8.699 7.133 1.00 0.00 C ATOM 930 C VAL A 61 -3.798 -7.604 6.115 1.00 0.00 C ATOM 931 O VAL A 61 -4.028 -6.422 6.374 1.00 0.00 O ATOM 932 CB VAL A 61 -5.588 -8.634 7.516 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.436 -8.273 6.306 1.00 0.00 C ATOM 934 CG2 VAL A 61 -6.041 -9.955 8.120 1.00 0.00 C ATOM 0 H VAL A 61 -3.301 -7.672 8.777 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.887 -9.672 6.689 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.718 -7.854 8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.486 -8.232 6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.127 -7.301 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.303 -9.028 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.096 -9.891 8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.897 -10.755 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.455 -10.166 9.014 1.00 0.00 H new ATOM 944 N ILE A 62 -3.284 -8.005 4.958 1.00 0.00 N ATOM 945 CA ILE A 62 -2.954 -7.057 3.900 1.00 0.00 C ATOM 946 C ILE A 62 -4.184 -6.714 3.066 1.00 0.00 C ATOM 947 O ILE A 62 -4.967 -7.592 2.707 1.00 0.00 O ATOM 948 CB ILE A 62 -1.856 -7.610 2.972 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.581 -7.895 3.768 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.574 -6.629 1.844 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.113 -6.647 4.266 1.00 0.00 C ATOM 0 H ILE A 62 -3.087 -8.979 4.729 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.586 -6.154 4.388 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.206 -8.546 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.829 -8.528 4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.110 -8.460 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.796 -7.033 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.483 -6.471 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.241 -5.679 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.008 -6.926 4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.392 -6.023 3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.561 -6.092 4.919 1.00 0.00 H new ATOM 963 N ALA A 63 -4.345 -5.431 2.760 1.00 0.00 N ATOM 964 CA ALA A 63 -5.477 -4.972 1.965 1.00 0.00 C ATOM 965 C ALA A 63 -5.083 -3.796 1.077 1.00 0.00 C ATOM 966 O ALA A 63 -4.119 -3.085 1.362 1.00 0.00 O ATOM 967 CB ALA A 63 -6.637 -4.586 2.871 1.00 0.00 C ATOM 0 H ALA A 63 -3.706 -4.691 3.051 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.792 -5.792 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.475 -4.245 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.943 -5.451 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.325 -3.785 3.541 1.00 0.00 H new ATOM 973 N LYS A 64 -5.835 -3.596 0.000 1.00 0.00 N ATOM 974 CA LYS A 64 -5.565 -2.506 -0.930 1.00 0.00 C ATOM 975 C LYS A 64 -6.839 -1.725 -1.236 1.00 0.00 C ATOM 976 O LYS A 64 -7.929 -2.294 -1.294 1.00 0.00 O ATOM 977 CB LYS A 64 -4.964 -3.052 -2.228 1.00 0.00 C ATOM 978 CG LYS A 64 -5.950 -3.844 -3.069 1.00 0.00 C ATOM 979 CD LYS A 64 -5.376 -4.177 -4.435 1.00 0.00 C ATOM 980 CE LYS A 64 -6.409 -4.852 -5.325 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.777 -5.549 -6.479 1.00 0.00 N ATOM 0 H LYS A 64 -6.637 -4.175 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.849 -1.831 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.581 -2.220 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.113 -3.689 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.214 -4.765 -2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.869 -3.271 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.022 -3.264 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.512 -4.831 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.982 -5.569 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.114 -4.106 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.514 -5.996 -7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.251 -4.861 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.123 -6.278 -6.129 1.00 0.00 H new ATOM 995 N MET A 65 -6.694 -0.419 -1.434 1.00 0.00 N ATOM 996 CA MET A 65 -7.833 0.439 -1.738 1.00 0.00 C ATOM 997 C MET A 65 -7.451 1.513 -2.751 1.00 0.00 C ATOM 998 O MET A 65 -6.345 2.053 -2.710 1.00 0.00 O ATOM 999 CB MET A 65 -8.362 1.093 -0.459 1.00 0.00 C ATOM 1000 CG MET A 65 -9.759 1.674 -0.606 1.00 0.00 C ATOM 1001 SD MET A 65 -10.469 2.183 0.971 1.00 0.00 S ATOM 1002 CE MET A 65 -10.830 3.906 0.639 1.00 0.00 C ATOM 0 H MET A 65 -5.799 0.068 -1.389 1.00 0.00 H new ATOM 0 HA MET A 65 -8.617 -0.182 -2.172 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.367 0.354 0.342 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.678 1.886 -0.156 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.723 2.532 -1.277 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.409 0.933 -1.071 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.538 4.511 1.497 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.274 4.231 -0.240 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.898 4.026 0.458 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.371 1.818 -3.659 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.130 2.828 -4.683 1.00 0.00 C ATOM 1014 C ASP A 66 -8.567 4.207 -4.199 1.00 0.00 C ATOM 1015 O ASP A 66 -9.752 4.538 -4.224 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.873 2.467 -5.971 1.00 0.00 C ATOM 1017 CG ASP A 66 -9.234 0.996 -6.038 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -8.475 0.172 -5.486 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -10.277 0.669 -6.641 1.00 0.00 O ATOM 0 H ASP A 66 -9.291 1.380 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.059 2.856 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.782 3.065 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.253 2.725 -6.829 1.00 0.00 H new ATOM 1024 N SER A 67 -7.601 5.007 -3.759 1.00 0.00 N ATOM 1025 CA SER A 67 -7.886 6.349 -3.264 1.00 0.00 C ATOM 1026 C SER A 67 -8.508 7.210 -4.359 1.00 0.00 C ATOM 1027 O SER A 67 -9.137 8.232 -4.080 1.00 0.00 O ATOM 1028 CB SER A 67 -6.605 7.007 -2.747 1.00 0.00 C ATOM 1029 OG SER A 67 -6.893 7.961 -1.739 1.00 0.00 O ATOM 0 H SER A 67 -6.614 4.749 -3.735 1.00 0.00 H new ATOM 0 HA SER A 67 -8.599 6.264 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.935 6.244 -2.350 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.083 7.491 -3.572 1.00 0.00 H new ATOM 0 HG SER A 67 -6.443 7.704 -0.907 1.00 0.00 H new ATOM 1035 N THR A 68 -8.329 6.791 -5.607 1.00 0.00 N ATOM 1036 CA THR A 68 -8.870 7.523 -6.745 1.00 0.00 C ATOM 1037 C THR A 68 -10.289 7.068 -7.066 1.00 0.00 C ATOM 1038 O THR A 68 -10.976 7.677 -7.886 1.00 0.00 O ATOM 1039 CB THR A 68 -7.991 7.346 -7.997 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.270 6.087 -8.619 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.515 7.423 -7.637 1.00 0.00 C ATOM 0 H THR A 68 -7.813 5.947 -5.856 1.00 0.00 H new ATOM 0 HA THR A 68 -8.883 8.577 -6.466 1.00 0.00 H new ATOM 0 HB THR A 68 -8.222 8.153 -8.692 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.870 6.225 -9.381 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.914 7.295 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.299 8.394 -7.191 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.273 6.635 -6.924 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.723 5.994 -6.415 1.00 0.00 N ATOM 1050 CA ALA A 69 -12.062 5.459 -6.630 1.00 0.00 C ATOM 1051 C ALA A 69 -12.831 5.361 -5.317 1.00 0.00 C ATOM 1052 O ALA A 69 -14.045 5.160 -5.311 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.984 4.096 -7.301 1.00 0.00 C ATOM 0 H ALA A 69 -10.167 5.477 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.600 6.144 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.991 3.708 -7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.481 4.192 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.424 3.409 -6.666 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.117 5.503 -4.205 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.733 5.429 -2.886 1.00 0.00 C ATOM 1061 C ASN A 70 -12.165 6.500 -1.959 1.00 0.00 C ATOM 1062 O ASN A 70 -10.999 6.442 -1.569 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.515 4.043 -2.275 1.00 0.00 C ATOM 1064 CG ASN A 70 -12.833 2.926 -3.249 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -13.991 2.538 -3.410 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -11.805 2.402 -3.906 1.00 0.00 N ATOM 0 H ASN A 70 -11.111 5.670 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.803 5.604 -3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.479 3.952 -1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.140 3.937 -1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.958 1.647 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.862 2.754 -3.742 1.00 0.00 H new ATOM 1073 N GLU A 71 -12.998 7.477 -1.612 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.578 8.561 -0.732 1.00 0.00 C ATOM 1075 C GLU A 71 -13.165 8.385 0.666 1.00 0.00 C ATOM 1076 O GLU A 71 -14.355 8.107 0.821 1.00 0.00 O ATOM 1077 CB GLU A 71 -13.004 9.911 -1.310 1.00 0.00 C ATOM 1078 CG GLU A 71 -12.104 11.063 -0.894 1.00 0.00 C ATOM 1079 CD GLU A 71 -10.634 10.765 -1.118 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -10.305 10.134 -2.144 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -9.812 11.164 -0.266 1.00 0.00 O ATOM 0 H GLU A 71 -13.966 7.540 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.491 8.533 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.015 9.844 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.025 10.126 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.380 11.956 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.269 11.286 0.160 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.323 8.550 1.681 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.758 8.411 3.065 1.00 0.00 C ATOM 1090 C VAL A 72 -12.152 9.500 3.943 1.00 0.00 C ATOM 1091 O VAL A 72 -11.017 9.924 3.729 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.375 7.033 3.638 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.236 5.941 3.023 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -10.898 6.753 3.407 1.00 0.00 C ATOM 0 H VAL A 72 -11.335 8.780 1.570 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.844 8.508 3.067 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.556 7.042 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.951 4.975 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.285 6.137 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.090 5.927 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.644 5.776 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.689 6.762 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.301 7.520 3.900 1.00 0.00 H new ATOM 1104 N GLU A 73 -12.918 9.949 4.933 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.456 10.990 5.844 1.00 0.00 C ATOM 1106 C GLU A 73 -11.503 10.415 6.889 1.00 0.00 C ATOM 1107 O GLU A 73 -10.599 11.101 7.363 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.646 11.658 6.536 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.394 10.737 7.485 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.448 9.905 6.781 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.220 10.477 5.984 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -15.501 8.682 7.028 1.00 0.00 O ATOM 0 H GLU A 73 -13.860 9.608 5.124 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.919 11.737 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.292 12.527 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.338 12.024 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.683 10.074 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.868 11.333 8.265 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.715 9.151 7.242 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.875 8.483 8.229 1.00 0.00 C ATOM 1121 C ALA A 74 -9.416 8.468 7.788 1.00 0.00 C ATOM 1122 O ALA A 74 -8.519 8.194 8.585 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.371 7.065 8.470 1.00 0.00 C ATOM 0 H ALA A 74 -12.461 8.570 6.859 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.939 9.042 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.735 6.578 9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.397 7.096 8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.337 6.504 7.536 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.185 8.765 6.513 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.833 8.786 5.966 1.00 0.00 C ATOM 1131 C VAL A 75 -7.741 9.721 4.765 1.00 0.00 C ATOM 1132 O VAL A 75 -8.445 9.544 3.771 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.378 7.377 5.542 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.185 7.462 4.601 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.044 6.535 6.764 1.00 0.00 C ATOM 0 H VAL A 75 -9.916 8.994 5.840 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.177 9.149 6.757 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.197 6.894 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.877 6.457 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.463 8.026 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.359 7.963 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.724 5.543 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.241 7.012 7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.927 6.446 7.397 1.00 0.00 H new ATOM 1145 N LYS A 76 -6.867 10.717 4.864 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.680 11.680 3.785 1.00 0.00 C ATOM 1147 C LYS A 76 -5.381 11.409 3.033 1.00 0.00 C ATOM 1148 O LYS A 76 -4.294 11.478 3.606 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.670 13.105 4.343 1.00 0.00 C ATOM 1150 CG LYS A 76 -8.050 13.627 4.703 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.819 14.068 3.469 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.321 13.963 3.681 1.00 0.00 C ATOM 1153 NZ LYS A 76 -10.865 15.148 4.400 1.00 0.00 N ATOM 0 H LYS A 76 -6.277 10.878 5.680 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.512 11.574 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.037 13.134 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.219 13.771 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.610 12.850 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.954 14.466 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.556 15.097 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.527 13.453 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.818 13.865 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.545 13.060 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.892 15.037 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.410 15.228 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.674 16.008 3.847 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.502 11.101 1.745 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.338 10.821 0.914 1.00 0.00 C ATOM 1169 C VAL A 77 -4.158 11.891 -0.158 1.00 0.00 C ATOM 1170 O VAL A 77 -5.013 12.064 -1.027 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.450 9.444 0.234 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.141 9.075 -0.446 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -4.853 8.382 1.247 1.00 0.00 C ATOM 0 H VAL A 77 -6.395 11.039 1.255 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.471 10.822 1.575 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.225 9.498 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.240 8.099 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.900 9.823 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.343 9.038 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.928 7.415 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.102 8.328 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.818 8.642 1.682 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.040 12.607 -0.090 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.747 13.661 -1.055 1.00 0.00 C ATOM 1185 C HIS A 78 -1.578 13.266 -1.952 1.00 0.00 C ATOM 1186 O HIS A 78 -0.946 14.119 -2.575 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.432 14.971 -0.333 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.396 15.295 0.767 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.061 16.070 1.857 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -4.692 14.946 0.940 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -4.109 16.183 2.653 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.112 15.510 2.119 1.00 0.00 N ATOM 0 H HIS A 78 -2.322 12.477 0.623 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.629 13.803 -1.679 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.426 14.915 0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.433 15.785 -1.058 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -2.147 16.490 2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.286 14.337 0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.140 16.732 3.582 1.00 0.00 H new ATOM 1201 N SER A 79 -1.294 11.969 -2.010 1.00 0.00 N ATOM 1202 CA SER A 79 -0.198 11.462 -2.827 1.00 0.00 C ATOM 1203 C SER A 79 -0.308 9.951 -3.007 1.00 0.00 C ATOM 1204 O SER A 79 -1.067 9.284 -2.303 1.00 0.00 O ATOM 1205 CB SER A 79 1.147 11.814 -2.187 1.00 0.00 C ATOM 1206 OG SER A 79 1.577 13.105 -2.583 1.00 0.00 O ATOM 0 H SER A 79 -1.808 11.250 -1.501 1.00 0.00 H new ATOM 0 HA SER A 79 -0.261 11.933 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.059 11.774 -1.101 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.895 11.074 -2.474 1.00 0.00 H new ATOM 0 HG SER A 79 0.796 13.677 -2.736 1.00 0.00 H new ATOM 1212 N PHE A 80 0.455 9.417 -3.955 1.00 0.00 N ATOM 1213 CA PHE A 80 0.444 7.985 -4.230 1.00 0.00 C ATOM 1214 C PHE A 80 1.702 7.566 -4.983 1.00 0.00 C ATOM 1215 O PHE A 80 2.306 8.347 -5.718 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.798 7.610 -5.041 1.00 0.00 C ATOM 1217 CG PHE A 80 -2.035 8.352 -4.621 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.802 7.903 -3.558 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.431 9.499 -5.290 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.940 8.584 -3.169 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.568 10.184 -4.906 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.324 9.725 -3.845 1.00 0.00 C ATOM 0 H PHE A 80 1.089 9.955 -4.546 1.00 0.00 H new ATOM 0 HA PHE A 80 0.420 7.457 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.606 7.807 -6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.976 6.539 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.507 7.010 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.844 9.862 -6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.528 8.224 -2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.865 11.077 -5.435 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.214 10.258 -3.545 1.00 0.00 H new ATOM 1232 N PRO A 81 2.110 6.301 -4.796 1.00 0.00 N ATOM 1233 CA PRO A 81 1.399 5.362 -3.923 1.00 0.00 C ATOM 1234 C PRO A 81 1.534 5.727 -2.448 1.00 0.00 C ATOM 1235 O PRO A 81 2.565 6.242 -2.016 1.00 0.00 O ATOM 1236 CB PRO A 81 2.087 4.024 -4.208 1.00 0.00 C ATOM 1237 CG PRO A 81 3.450 4.392 -4.682 1.00 0.00 C ATOM 1238 CD PRO A 81 3.295 5.692 -5.422 1.00 0.00 C ATOM 0 HA PRO A 81 0.326 5.356 -4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.133 3.404 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.546 3.454 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.139 4.500 -3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.859 3.619 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.176 6.324 -5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.148 5.531 -6.490 1.00 0.00 H new ATOM 1246 N THR A 82 0.484 5.456 -1.679 1.00 0.00 N ATOM 1247 CA THR A 82 0.484 5.756 -0.252 1.00 0.00 C ATOM 1248 C THR A 82 0.128 4.523 0.569 1.00 0.00 C ATOM 1249 O THR A 82 -0.836 3.818 0.264 1.00 0.00 O ATOM 1250 CB THR A 82 -0.506 6.887 0.084 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.014 8.135 -0.418 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.722 6.988 1.586 1.00 0.00 C ATOM 0 H THR A 82 -0.377 5.029 -2.020 1.00 0.00 H new ATOM 0 HA THR A 82 1.493 6.079 0.003 1.00 0.00 H new ATOM 0 HB THR A 82 -1.460 6.657 -0.390 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.463 8.348 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.425 7.793 1.799 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.125 6.047 1.960 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.229 7.196 2.077 1.00 0.00 H new ATOM 1260 N LEU A 83 0.909 4.266 1.613 1.00 0.00 N ATOM 1261 CA LEU A 83 0.675 3.117 2.480 1.00 0.00 C ATOM 1262 C LEU A 83 0.419 3.562 3.916 1.00 0.00 C ATOM 1263 O LEU A 83 1.072 4.476 4.420 1.00 0.00 O ATOM 1264 CB LEU A 83 1.872 2.166 2.434 1.00 0.00 C ATOM 1265 CG LEU A 83 2.406 1.825 1.042 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.630 0.929 1.144 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.323 1.160 0.205 1.00 0.00 C ATOM 0 H LEU A 83 1.710 4.838 1.879 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.210 2.594 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.683 2.606 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.592 1.237 2.931 1.00 0.00 H new ATOM 0 HG LEU A 83 2.701 2.751 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.996 0.697 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.411 1.442 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.363 0.005 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.720 0.924 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.997 0.242 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.475 1.837 0.103 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.534 2.908 4.572 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.875 3.232 5.952 1.00 0.00 C ATOM 1281 C LYS A 84 -1.121 1.965 6.764 1.00 0.00 C ATOM 1282 O LYS A 84 -1.917 1.110 6.373 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.115 4.128 5.995 1.00 0.00 C ATOM 1284 CG LYS A 84 -1.980 5.395 5.168 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.772 6.542 5.772 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.663 7.801 4.926 1.00 0.00 C ATOM 1287 NZ LYS A 84 -2.931 9.030 5.723 1.00 0.00 N ATOM 0 H LYS A 84 -1.084 2.150 4.169 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.033 3.766 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.975 3.561 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.320 4.400 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.929 5.675 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.328 5.206 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.819 6.254 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.408 6.746 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.665 7.861 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.369 7.744 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.048 9.841 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.800 8.900 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.132 9.209 6.365 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.436 1.850 7.896 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.581 0.687 8.764 1.00 0.00 C ATOM 1303 C PHE A 85 -1.638 0.937 9.836 1.00 0.00 C ATOM 1304 O PHE A 85 -1.582 1.932 10.558 1.00 0.00 O ATOM 1305 CB PHE A 85 0.758 0.344 9.421 1.00 0.00 C ATOM 1306 CG PHE A 85 0.661 -0.755 10.439 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.558 -2.079 10.042 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.674 -0.466 11.794 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.469 -3.092 10.977 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.585 -1.475 12.734 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.483 -2.790 12.325 1.00 0.00 C ATOM 0 H PHE A 85 0.226 2.548 8.234 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.903 -0.155 8.151 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.468 0.051 8.648 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.158 1.238 9.900 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.547 -2.321 8.990 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.755 0.561 12.120 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.389 -4.120 10.654 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.595 -1.235 13.787 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.414 -3.581 13.057 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.600 0.026 9.933 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.671 0.147 10.915 1.00 0.00 C ATOM 1323 C PHE A 86 -3.472 -0.841 12.061 1.00 0.00 C ATOM 1324 O PHE A 86 -3.709 -2.042 11.928 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.029 -0.091 10.252 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.290 0.810 9.079 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.483 1.911 8.842 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.342 0.555 8.213 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.720 2.742 7.763 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.583 1.382 7.133 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.772 2.478 6.908 1.00 0.00 C ATOM 0 H PHE A 86 -2.660 -0.804 9.344 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.645 1.158 11.321 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.087 -1.129 9.923 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.816 0.053 10.992 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.659 2.122 9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.980 -0.299 8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.083 3.597 7.589 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.405 1.172 6.465 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.960 3.127 6.065 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.025 -0.324 13.216 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.784 -1.142 14.408 1.00 0.00 C ATOM 1343 C PRO A 87 -4.078 -1.660 15.027 1.00 0.00 C ATOM 1344 O PRO A 87 -5.165 -1.180 14.709 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.083 -0.175 15.366 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.535 1.178 14.936 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.722 1.098 13.446 1.00 0.00 C ATOM 0 HA PRO A 87 -2.201 -2.034 14.179 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.359 -0.374 16.402 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.999 -0.270 15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.466 1.454 15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.797 1.937 15.197 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.534 1.742 13.108 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.825 1.409 12.911 1.00 0.00 H new ATOM 1355 N ALA A 88 -3.952 -2.642 15.913 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.111 -3.224 16.579 1.00 0.00 C ATOM 1357 C ALA A 88 -5.669 -2.277 17.636 1.00 0.00 C ATOM 1358 O ALA A 88 -5.696 -2.604 18.823 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.745 -4.561 17.205 1.00 0.00 C ATOM 0 H ALA A 88 -3.059 -3.052 16.186 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.886 -3.387 15.830 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.620 -4.983 17.699 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.401 -5.244 16.429 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.951 -4.415 17.937 1.00 0.00 H new ATOM 1365 N SER A 89 -6.113 -1.104 17.198 1.00 0.00 N ATOM 1366 CA SER A 89 -6.667 -0.108 18.109 1.00 0.00 C ATOM 1367 C SER A 89 -8.132 0.169 17.786 1.00 0.00 C ATOM 1368 O SER A 89 -8.552 0.079 16.633 1.00 0.00 O ATOM 1369 CB SER A 89 -5.861 1.191 18.029 1.00 0.00 C ATOM 1370 OG SER A 89 -6.230 2.085 19.064 1.00 0.00 O ATOM 0 H SER A 89 -6.100 -0.819 16.219 1.00 0.00 H new ATOM 0 HA SER A 89 -6.605 -0.504 19.122 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.797 0.967 18.100 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.023 1.664 17.061 1.00 0.00 H new ATOM 0 HG SER A 89 -5.700 2.906 18.992 1.00 0.00 H new ATOM 1376 N ALA A 90 -8.904 0.505 18.814 1.00 0.00 N ATOM 1377 CA ALA A 90 -10.322 0.796 18.641 1.00 0.00 C ATOM 1378 C ALA A 90 -10.545 2.273 18.330 1.00 0.00 C ATOM 1379 O ALA A 90 -11.683 2.729 18.223 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.099 0.394 19.885 1.00 0.00 C ATOM 0 H ALA A 90 -8.572 0.582 19.775 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.686 0.214 17.795 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.156 0.617 19.742 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.974 -0.674 20.062 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.724 0.951 20.744 1.00 0.00 H new ATOM 1386 N ASP A 91 -9.452 3.014 18.187 1.00 0.00 N ATOM 1387 CA ASP A 91 -9.528 4.439 17.889 1.00 0.00 C ATOM 1388 C ASP A 91 -9.163 4.709 16.432 1.00 0.00 C ATOM 1389 O ASP A 91 -8.556 5.732 16.114 1.00 0.00 O ATOM 1390 CB ASP A 91 -8.599 5.226 18.815 1.00 0.00 C ATOM 1391 CG ASP A 91 -8.977 6.692 18.904 1.00 0.00 C ATOM 1392 OD1 ASP A 91 -8.671 7.442 17.954 1.00 0.00 O ATOM 1393 OD2 ASP A 91 -9.578 7.089 19.924 1.00 0.00 O ATOM 0 H ASP A 91 -8.503 2.651 18.273 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.555 4.766 18.055 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.626 4.786 19.812 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.574 5.139 18.456 1.00 0.00 H new ATOM 1398 N ARG A 92 -9.537 3.786 15.553 1.00 0.00 N ATOM 1399 CA ARG A 92 -9.247 3.923 14.131 1.00 0.00 C ATOM 1400 C ARG A 92 -7.907 4.620 13.914 1.00 0.00 C ATOM 1401 O ARG A 92 -7.777 5.484 13.045 1.00 0.00 O ATOM 1402 CB ARG A 92 -10.361 4.708 13.435 1.00 0.00 C ATOM 1403 CG ARG A 92 -10.527 6.124 13.960 1.00 0.00 C ATOM 1404 CD ARG A 92 -11.113 7.045 12.901 1.00 0.00 C ATOM 1405 NE ARG A 92 -10.083 7.599 12.026 1.00 0.00 N ATOM 1406 CZ ARG A 92 -9.240 8.556 12.397 1.00 0.00 C ATOM 1407 NH1 ARG A 92 -9.303 9.062 13.621 1.00 0.00 N ATOM 1408 NH2 ARG A 92 -8.330 9.007 11.544 1.00 0.00 N ATOM 0 H ARG A 92 -10.042 2.935 15.800 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.191 2.924 13.699 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.152 4.748 12.366 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.302 4.172 13.556 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.176 6.115 14.836 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.560 6.509 14.284 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.839 6.494 12.303 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.652 7.859 13.386 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.007 7.231 11.078 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.000 8.716 14.280 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.654 9.797 13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.277 8.619 10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.683 9.742 11.830 1.00 0.00 H new ATOM 1422 N THR A 93 -6.912 4.241 14.710 1.00 0.00 N ATOM 1423 CA THR A 93 -5.583 4.830 14.607 1.00 0.00 C ATOM 1424 C THR A 93 -4.913 4.448 13.292 1.00 0.00 C ATOM 1425 O THR A 93 -5.111 3.346 12.780 1.00 0.00 O ATOM 1426 CB THR A 93 -4.682 4.390 15.776 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.292 4.739 17.023 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.310 5.041 15.676 1.00 0.00 C ATOM 0 H THR A 93 -7.002 3.528 15.434 1.00 0.00 H new ATOM 0 HA THR A 93 -5.712 5.912 14.645 1.00 0.00 H new ATOM 0 HB THR A 93 -4.558 3.308 15.724 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.714 4.454 17.761 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.691 4.716 16.512 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.836 4.749 14.739 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.419 6.125 15.705 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.119 5.366 12.750 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.418 5.125 11.494 1.00 0.00 C ATOM 1438 C VAL A 94 -1.946 5.507 11.605 1.00 0.00 C ATOM 1439 O VAL A 94 -1.602 6.526 12.205 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.056 5.913 10.335 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.114 5.963 9.141 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.391 5.298 9.945 1.00 0.00 C ATOM 0 H VAL A 94 -3.945 6.283 13.161 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.499 4.058 11.285 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.236 6.935 10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.582 6.524 8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.184 6.452 9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.900 4.949 8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.828 5.867 9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.238 4.266 9.629 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.065 5.319 10.801 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.082 4.683 11.022 1.00 0.00 N ATOM 1453 CA ILE A 95 0.354 4.936 11.054 1.00 0.00 C ATOM 1454 C ILE A 95 0.900 5.180 9.651 1.00 0.00 C ATOM 1455 O ILE A 95 0.467 4.548 8.687 1.00 0.00 O ATOM 1456 CB ILE A 95 1.118 3.762 11.693 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.725 3.609 13.164 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.619 3.971 11.559 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.466 2.499 13.875 1.00 0.00 C ATOM 0 H ILE A 95 -1.350 3.835 10.522 1.00 0.00 H new ATOM 0 HA ILE A 95 0.504 5.829 11.660 1.00 0.00 H new ATOM 0 HB ILE A 95 0.850 2.845 11.168 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.913 4.550 13.682 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.346 3.418 13.228 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.145 3.133 12.016 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.885 4.035 10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.904 4.895 12.062 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.137 2.449 14.913 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.259 1.549 13.382 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.537 2.698 13.843 1.00 0.00 H new ATOM 1471 N ASP A 96 1.854 6.098 9.545 1.00 0.00 N ATOM 1472 CA ASP A 96 2.462 6.424 8.261 1.00 0.00 C ATOM 1473 C ASP A 96 3.618 5.478 7.951 1.00 0.00 C ATOM 1474 O ASP A 96 4.463 5.213 8.807 1.00 0.00 O ATOM 1475 CB ASP A 96 2.957 7.871 8.259 1.00 0.00 C ATOM 1476 CG ASP A 96 3.806 8.194 9.473 1.00 0.00 C ATOM 1477 OD1 ASP A 96 4.346 7.250 10.087 1.00 0.00 O ATOM 1478 OD2 ASP A 96 3.930 9.391 9.809 1.00 0.00 O ATOM 0 H ASP A 96 2.223 6.630 10.333 1.00 0.00 H new ATOM 0 HA ASP A 96 1.703 6.307 7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.538 8.052 7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.101 8.545 8.228 1.00 0.00 H new ATOM 1483 N TYR A 97 3.649 4.972 6.724 1.00 0.00 N ATOM 1484 CA TYR A 97 4.699 4.052 6.302 1.00 0.00 C ATOM 1485 C TYR A 97 5.755 4.775 5.471 1.00 0.00 C ATOM 1486 O TYR A 97 5.520 5.119 4.313 1.00 0.00 O ATOM 1487 CB TYR A 97 4.102 2.897 5.497 1.00 0.00 C ATOM 1488 CG TYR A 97 5.111 1.837 5.119 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.976 2.023 4.047 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.200 0.648 5.832 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.899 1.057 3.697 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.121 -0.323 5.491 1.00 0.00 C ATOM 1493 CZ TYR A 97 6.968 -0.114 4.422 1.00 0.00 C ATOM 1494 OH TYR A 97 7.886 -1.079 4.078 1.00 0.00 O ATOM 0 H TYR A 97 2.959 5.183 6.003 1.00 0.00 H new ATOM 0 HA TYR A 97 5.178 3.652 7.196 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.303 2.436 6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.648 3.294 4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.925 2.939 3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.537 0.480 6.668 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.563 1.218 2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.178 -1.241 6.058 1.00 0.00 H new ATOM 0 HH TYR A 97 7.545 -1.600 3.322 1.00 0.00 H new ATOM 1504 N ASN A 98 6.919 4.999 6.071 1.00 0.00 N ATOM 1505 CA ASN A 98 8.012 5.681 5.387 1.00 0.00 C ATOM 1506 C ASN A 98 9.273 4.821 5.385 1.00 0.00 C ATOM 1507 O ASN A 98 10.255 5.140 6.053 1.00 0.00 O ATOM 1508 CB ASN A 98 8.300 7.026 6.055 1.00 0.00 C ATOM 1509 CG ASN A 98 7.041 7.699 6.568 1.00 0.00 C ATOM 1510 OD1 ASN A 98 6.948 8.054 7.743 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.065 7.876 5.686 1.00 0.00 N ATOM 0 H ASN A 98 7.130 4.719 7.029 1.00 0.00 H new ATOM 0 HA ASN A 98 7.709 5.854 4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.992 6.876 6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 98 8.795 7.684 5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.194 8.322 5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.186 7.566 4.722 1.00 0.00 H new ATOM 1518 N GLY A 99 9.237 3.729 4.627 1.00 0.00 N ATOM 1519 CA GLY A 99 10.382 2.841 4.552 1.00 0.00 C ATOM 1520 C GLY A 99 10.820 2.579 3.124 1.00 0.00 C ATOM 1521 O GLY A 99 10.631 3.421 2.247 1.00 0.00 O ATOM 0 H GLY A 99 8.436 3.444 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.212 3.275 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.136 1.894 5.033 1.00 0.00 H new ATOM 1525 N GLU A 100 11.408 1.410 2.892 1.00 0.00 N ATOM 1526 CA GLU A 100 11.876 1.042 1.561 1.00 0.00 C ATOM 1527 C GLU A 100 10.701 0.810 0.616 1.00 0.00 C ATOM 1528 O GLU A 100 10.826 0.971 -0.599 1.00 0.00 O ATOM 1529 CB GLU A 100 12.745 -0.215 1.631 1.00 0.00 C ATOM 1530 CG GLU A 100 12.060 -1.392 2.306 1.00 0.00 C ATOM 1531 CD GLU A 100 13.038 -2.311 3.010 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.561 -3.236 2.354 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.282 -2.106 4.218 1.00 0.00 O ATOM 0 H GLU A 100 11.572 0.702 3.608 1.00 0.00 H new ATOM 0 HA GLU A 100 12.474 1.867 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.033 -0.504 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.663 0.018 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.333 -1.019 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.505 -1.961 1.560 1.00 0.00 H new ATOM 1540 N ARG A 101 9.560 0.430 1.182 1.00 0.00 N ATOM 1541 CA ARG A 101 8.363 0.173 0.390 1.00 0.00 C ATOM 1542 C ARG A 101 8.569 -1.021 -0.537 1.00 0.00 C ATOM 1543 O ARG A 101 8.178 -0.991 -1.704 1.00 0.00 O ATOM 1544 CB ARG A 101 7.993 1.411 -0.430 1.00 0.00 C ATOM 1545 CG ARG A 101 6.612 1.333 -1.060 1.00 0.00 C ATOM 1546 CD ARG A 101 6.516 2.206 -2.302 1.00 0.00 C ATOM 1547 NE ARG A 101 7.416 1.753 -3.359 1.00 0.00 N ATOM 1548 CZ ARG A 101 7.340 2.171 -4.618 1.00 0.00 C ATOM 1549 NH1 ARG A 101 6.411 3.048 -4.974 1.00 0.00 N ATOM 1550 NH2 ARG A 101 8.195 1.713 -5.523 1.00 0.00 N ATOM 0 H ARG A 101 9.439 0.293 2.186 1.00 0.00 H new ATOM 0 HA ARG A 101 7.548 -0.058 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.041 2.290 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.735 1.551 -1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.389 0.299 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.862 1.647 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.491 2.200 -2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.754 3.237 -2.040 1.00 0.00 H new ATOM 0 HE ARG A 101 8.143 1.079 -3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.753 3.403 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 101 6.355 3.367 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.912 1.039 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.136 2.034 -6.489 1.00 0.00 H new ATOM 1564 N THR A 102 9.187 -2.073 -0.009 1.00 0.00 N ATOM 1565 CA THR A 102 9.448 -3.277 -0.788 1.00 0.00 C ATOM 1566 C THR A 102 8.789 -4.497 -0.152 1.00 0.00 C ATOM 1567 O THR A 102 8.434 -4.479 1.027 1.00 0.00 O ATOM 1568 CB THR A 102 10.959 -3.539 -0.929 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.520 -3.868 0.347 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.668 -2.322 -1.502 1.00 0.00 C ATOM 0 H THR A 102 9.516 -2.115 0.955 1.00 0.00 H new ATOM 0 HA THR A 102 9.022 -3.111 -1.778 1.00 0.00 H new ATOM 0 HB THR A 102 11.098 -4.376 -1.613 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.481 -4.035 0.249 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.734 -2.531 -1.592 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.259 -2.092 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.520 -1.469 -0.839 1.00 0.00 H new ATOM 1578 N LEU A 103 8.630 -5.554 -0.940 1.00 0.00 N ATOM 1579 CA LEU A 103 8.014 -6.784 -0.453 1.00 0.00 C ATOM 1580 C LEU A 103 8.651 -7.230 0.859 1.00 0.00 C ATOM 1581 O LEU A 103 7.956 -7.499 1.838 1.00 0.00 O ATOM 1582 CB LEU A 103 8.146 -7.892 -1.500 1.00 0.00 C ATOM 1583 CG LEU A 103 7.610 -9.266 -1.094 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.128 -9.184 -0.762 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.856 -10.282 -2.200 1.00 0.00 C ATOM 0 H LEU A 103 8.918 -5.585 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 103 6.957 -6.586 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.627 -7.574 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.200 -7.997 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 103 8.143 -9.594 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.764 -10.171 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.978 -8.488 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.578 -8.834 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.468 -11.254 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.350 -9.959 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.926 -10.362 -2.389 1.00 0.00 H new ATOM 1597 N ASP A 104 9.978 -7.305 0.871 1.00 0.00 N ATOM 1598 CA ASP A 104 10.709 -7.715 2.064 1.00 0.00 C ATOM 1599 C ASP A 104 10.680 -6.618 3.123 1.00 0.00 C ATOM 1600 O ASP A 104 10.592 -6.897 4.318 1.00 0.00 O ATOM 1601 CB ASP A 104 12.157 -8.059 1.707 1.00 0.00 C ATOM 1602 CG ASP A 104 12.321 -9.505 1.284 1.00 0.00 C ATOM 1603 OD1 ASP A 104 11.526 -9.971 0.440 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.245 -10.171 1.796 1.00 0.00 O ATOM 0 H ASP A 104 10.569 -7.087 0.068 1.00 0.00 H new ATOM 0 HA ASP A 104 10.223 -8.601 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.494 -7.407 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.797 -7.860 2.567 1.00 0.00 H new ATOM 1609 N GLY A 105 10.755 -5.368 2.676 1.00 0.00 N ATOM 1610 CA GLY A 105 10.737 -4.248 3.598 1.00 0.00 C ATOM 1611 C GLY A 105 9.447 -4.171 4.391 1.00 0.00 C ATOM 1612 O GLY A 105 9.454 -3.807 5.567 1.00 0.00 O ATOM 0 H GLY A 105 10.828 -5.111 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.578 -4.334 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.874 -3.321 3.041 1.00 0.00 H new ATOM 1616 N PHE A 106 8.337 -4.512 3.746 1.00 0.00 N ATOM 1617 CA PHE A 106 7.033 -4.477 4.398 1.00 0.00 C ATOM 1618 C PHE A 106 6.983 -5.455 5.568 1.00 0.00 C ATOM 1619 O PHE A 106 6.523 -5.114 6.658 1.00 0.00 O ATOM 1620 CB PHE A 106 5.928 -4.810 3.393 1.00 0.00 C ATOM 1621 CG PHE A 106 5.755 -3.769 2.324 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.684 -2.425 2.653 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.665 -4.135 0.991 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.525 -1.466 1.671 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.506 -3.180 0.005 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.437 -1.843 0.345 1.00 0.00 C ATOM 0 H PHE A 106 8.314 -4.816 2.773 1.00 0.00 H new ATOM 0 HA PHE A 106 6.874 -3.470 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.152 -5.768 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.986 -4.930 3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.754 -2.124 3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.720 -5.179 0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.470 -0.422 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.436 -3.479 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.315 -1.094 -0.424 1.00 0.00 H new ATOM 1636 N LYS A 107 7.460 -6.673 5.335 1.00 0.00 N ATOM 1637 CA LYS A 107 7.472 -7.701 6.368 1.00 0.00 C ATOM 1638 C LYS A 107 8.122 -7.181 7.646 1.00 0.00 C ATOM 1639 O LYS A 107 7.639 -7.436 8.749 1.00 0.00 O ATOM 1640 CB LYS A 107 8.218 -8.942 5.872 1.00 0.00 C ATOM 1641 CG LYS A 107 7.771 -9.413 4.500 1.00 0.00 C ATOM 1642 CD LYS A 107 8.108 -10.878 4.275 1.00 0.00 C ATOM 1643 CE LYS A 107 8.282 -11.189 2.797 1.00 0.00 C ATOM 1644 NZ LYS A 107 7.004 -11.619 2.166 1.00 0.00 N ATOM 0 H LYS A 107 7.844 -6.972 4.439 1.00 0.00 H new ATOM 0 HA LYS A 107 6.439 -7.970 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.286 -8.726 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.076 -9.751 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.696 -9.266 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.251 -8.806 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.024 -11.128 4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.316 -11.502 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.662 -10.306 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.029 -11.974 2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.029 -11.402 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.878 -12.643 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.211 -11.113 2.609 1.00 0.00 H new ATOM 1658 N LYS A 108 9.220 -6.449 7.491 1.00 0.00 N ATOM 1659 CA LYS A 108 9.935 -5.890 8.632 1.00 0.00 C ATOM 1660 C LYS A 108 9.048 -4.925 9.411 1.00 0.00 C ATOM 1661 O LYS A 108 9.017 -4.949 10.641 1.00 0.00 O ATOM 1662 CB LYS A 108 11.202 -5.170 8.163 1.00 0.00 C ATOM 1663 CG LYS A 108 12.039 -5.982 7.191 1.00 0.00 C ATOM 1664 CD LYS A 108 13.514 -5.631 7.295 1.00 0.00 C ATOM 1665 CE LYS A 108 14.282 -6.077 6.061 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.749 -6.133 6.311 1.00 0.00 N ATOM 0 H LYS A 108 9.634 -6.229 6.585 1.00 0.00 H new ATOM 0 HA LYS A 108 10.214 -6.712 9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.921 -4.229 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.810 -4.920 9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.902 -7.045 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.692 -5.802 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.624 -4.554 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.940 -6.103 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.929 -7.060 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.080 -5.390 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.237 -6.441 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.091 -5.190 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.945 -6.808 7.078 1.00 0.00 H new ATOM 1680 N PHE A 109 8.325 -4.076 8.686 1.00 0.00 N ATOM 1681 CA PHE A 109 7.436 -3.103 9.310 1.00 0.00 C ATOM 1682 C PHE A 109 6.266 -3.799 9.999 1.00 0.00 C ATOM 1683 O PHE A 109 5.869 -3.423 11.103 1.00 0.00 O ATOM 1684 CB PHE A 109 6.913 -2.116 8.264 1.00 0.00 C ATOM 1685 CG PHE A 109 6.134 -0.975 8.854 1.00 0.00 C ATOM 1686 CD1 PHE A 109 4.833 -1.161 9.292 1.00 0.00 C ATOM 1687 CD2 PHE A 109 6.703 0.283 8.971 1.00 0.00 C ATOM 1688 CE1 PHE A 109 4.113 -0.113 9.836 1.00 0.00 C ATOM 1689 CE2 PHE A 109 5.989 1.334 9.514 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.692 1.136 9.946 1.00 0.00 C ATOM 0 H PHE A 109 8.338 -4.043 7.667 1.00 0.00 H new ATOM 0 HA PHE A 109 8.005 -2.557 10.063 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.756 -1.717 7.699 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.280 -2.651 7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.376 -2.136 9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.716 0.444 8.634 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.100 -0.271 10.174 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.445 2.309 9.601 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.132 1.957 10.369 1.00 0.00 H new ATOM 1700 N LEU A 110 5.719 -4.814 9.341 1.00 0.00 N ATOM 1701 CA LEU A 110 4.593 -5.564 9.889 1.00 0.00 C ATOM 1702 C LEU A 110 5.033 -6.418 11.074 1.00 0.00 C ATOM 1703 O LEU A 110 4.576 -6.217 12.198 1.00 0.00 O ATOM 1704 CB LEU A 110 3.972 -6.451 8.809 1.00 0.00 C ATOM 1705 CG LEU A 110 3.354 -5.722 7.615 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.104 -6.691 6.469 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.061 -5.031 8.023 1.00 0.00 C ATOM 0 H LEU A 110 6.036 -5.137 8.427 1.00 0.00 H new ATOM 0 HA LEU A 110 3.847 -4.850 10.237 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.741 -7.129 8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.201 -7.067 9.272 1.00 0.00 H new ATOM 0 HG LEU A 110 4.057 -4.962 7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.664 -6.155 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.048 -7.140 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.421 -7.474 6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.635 -4.517 7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.352 -5.773 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.268 -4.307 8.811 1.00 0.00 H new ATOM 1719 N GLU A 111 5.924 -7.369 10.813 1.00 0.00 N ATOM 1720 CA GLU A 111 6.427 -8.252 11.859 1.00 0.00 C ATOM 1721 C GLU A 111 6.628 -7.488 13.165 1.00 0.00 C ATOM 1722 O GLU A 111 6.368 -8.011 14.248 1.00 0.00 O ATOM 1723 CB GLU A 111 7.744 -8.897 11.423 1.00 0.00 C ATOM 1724 CG GLU A 111 7.569 -10.009 10.403 1.00 0.00 C ATOM 1725 CD GLU A 111 8.657 -11.061 10.494 1.00 0.00 C ATOM 1726 OE1 GLU A 111 9.836 -10.682 10.659 1.00 0.00 O ATOM 1727 OE2 GLU A 111 8.331 -12.262 10.400 1.00 0.00 O ATOM 0 H GLU A 111 6.312 -7.548 9.887 1.00 0.00 H new ATOM 0 HA GLU A 111 5.687 -9.034 12.027 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.393 -8.129 11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.251 -9.297 12.301 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.598 -10.482 10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.566 -9.580 9.401 1.00 0.00 H new ATOM 1734 N SER A 112 7.094 -6.249 13.053 1.00 0.00 N ATOM 1735 CA SER A 112 7.335 -5.414 14.224 1.00 0.00 C ATOM 1736 C SER A 112 6.023 -5.047 14.909 1.00 0.00 C ATOM 1737 O SER A 112 5.917 -5.085 16.134 1.00 0.00 O ATOM 1738 CB SER A 112 8.088 -4.144 13.824 1.00 0.00 C ATOM 1739 OG SER A 112 9.455 -4.419 13.570 1.00 0.00 O ATOM 0 H SER A 112 7.312 -5.801 12.163 1.00 0.00 H new ATOM 0 HA SER A 112 7.944 -5.983 14.926 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.630 -3.711 12.935 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.005 -3.403 14.619 1.00 0.00 H new ATOM 0 HG SER A 112 9.574 -4.635 12.622 1.00 0.00 H new ATOM 1745 N GLY A 113 5.023 -4.690 14.107 1.00 0.00 N ATOM 1746 CA GLY A 113 3.730 -4.321 14.653 1.00 0.00 C ATOM 1747 C GLY A 113 3.441 -2.840 14.506 1.00 0.00 C ATOM 1748 O GLY A 113 2.743 -2.252 15.331 1.00 0.00 O ATOM 0 H GLY A 113 5.086 -4.650 13.090 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.950 -4.892 14.150 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.693 -4.592 15.708 1.00 0.00 H new ATOM 1752 N GLY A 114 3.979 -2.235 13.451 1.00 0.00 N ATOM 1753 CA GLY A 114 3.765 -0.819 13.219 1.00 0.00 C ATOM 1754 C GLY A 114 4.615 0.052 14.123 1.00 0.00 C ATOM 1755 O GLY A 114 4.109 0.979 14.755 1.00 0.00 O ATOM 0 H GLY A 114 4.559 -2.701 12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.991 -0.586 12.178 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.713 -0.583 13.377 1.00 0.00 H new ATOM 1759 N GLN A 115 5.908 -0.247 14.185 1.00 0.00 N ATOM 1760 CA GLN A 115 6.829 0.515 15.020 1.00 0.00 C ATOM 1761 C GLN A 115 7.558 1.574 14.200 1.00 0.00 C ATOM 1762 O GLN A 115 8.071 1.291 13.118 1.00 0.00 O ATOM 1763 CB GLN A 115 7.842 -0.420 15.683 1.00 0.00 C ATOM 1764 CG GLN A 115 7.227 -1.346 16.720 1.00 0.00 C ATOM 1765 CD GLN A 115 7.005 -0.662 18.055 1.00 0.00 C ATOM 1766 OE1 GLN A 115 5.881 -0.599 18.554 1.00 0.00 O ATOM 1767 NE2 GLN A 115 8.078 -0.145 18.641 1.00 0.00 N ATOM 0 H GLN A 115 6.342 -1.011 13.667 1.00 0.00 H new ATOM 0 HA GLN A 115 6.248 1.017 15.794 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.327 -1.021 14.914 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.620 0.178 16.158 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.275 -1.722 16.346 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.877 -2.209 16.862 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.991 -0.220 18.192 1.00 0.00 H new ATOM 0 HE22 GLN A 115 7.990 0.327 19.541 1.00 0.00 H new ATOM 1776 N SER A 116 7.598 2.796 14.723 1.00 0.00 N ATOM 1777 CA SER A 116 8.261 3.899 14.038 1.00 0.00 C ATOM 1778 C SER A 116 9.765 3.873 14.294 1.00 0.00 C ATOM 1779 O SER A 116 10.562 3.739 13.367 1.00 0.00 O ATOM 1780 CB SER A 116 7.677 5.237 14.497 1.00 0.00 C ATOM 1781 OG SER A 116 8.153 6.303 13.694 1.00 0.00 O ATOM 0 H SER A 116 7.179 3.047 15.619 1.00 0.00 H new ATOM 0 HA SER A 116 8.091 3.784 12.968 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.589 5.198 14.448 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.943 5.415 15.539 1.00 0.00 H new ATOM 0 HG SER A 116 7.764 7.147 14.006 1.00 0.00 H new ATOM 1787 N GLY A 117 10.145 4.003 15.562 1.00 0.00 N ATOM 1788 CA GLY A 117 11.552 3.993 15.919 1.00 0.00 C ATOM 1789 C GLY A 117 11.792 4.455 17.342 1.00 0.00 C ATOM 1790 O GLY A 117 10.905 4.398 18.194 1.00 0.00 O ATOM 0 H GLY A 117 9.504 4.115 16.348 1.00 0.00 H new ATOM 0 HA2 GLY A 117 11.948 2.985 15.796 1.00 0.00 H new ATOM 0 HA3 GLY A 117 12.102 4.637 15.233 1.00 0.00 H new ATOM 1794 N PRO A 118 13.018 4.925 17.617 1.00 0.00 N ATOM 1795 CA PRO A 118 13.401 5.407 18.947 1.00 0.00 C ATOM 1796 C PRO A 118 12.711 6.717 19.310 1.00 0.00 C ATOM 1797 O PRO A 118 12.821 7.708 18.588 1.00 0.00 O ATOM 1798 CB PRO A 118 14.913 5.614 18.827 1.00 0.00 C ATOM 1799 CG PRO A 118 15.150 5.848 17.375 1.00 0.00 C ATOM 1800 CD PRO A 118 14.124 5.022 16.650 1.00 0.00 C ATOM 0 HA PRO A 118 13.113 4.708 19.732 1.00 0.00 H new ATOM 0 HB2 PRO A 118 15.245 6.463 19.424 1.00 0.00 H new ATOM 0 HB3 PRO A 118 15.461 4.741 19.182 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.046 6.905 17.128 1.00 0.00 H new ATOM 0 HG3 PRO A 118 16.160 5.552 17.092 1.00 0.00 H new ATOM 0 HD2 PRO A 118 13.806 5.499 15.723 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.514 4.039 16.385 1.00 0.00 H new ATOM 1808 N SER A 119 12.001 6.715 20.433 1.00 0.00 N ATOM 1809 CA SER A 119 11.290 7.904 20.890 1.00 0.00 C ATOM 1810 C SER A 119 12.062 8.603 22.005 1.00 0.00 C ATOM 1811 O SER A 119 12.177 9.829 22.020 1.00 0.00 O ATOM 1812 CB SER A 119 9.890 7.530 21.380 1.00 0.00 C ATOM 1813 OG SER A 119 9.950 6.836 22.615 1.00 0.00 O ATOM 0 H SER A 119 11.902 5.904 21.043 1.00 0.00 H new ATOM 0 HA SER A 119 11.201 8.590 20.048 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.289 8.432 21.495 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.394 6.909 20.634 1.00 0.00 H new ATOM 0 HG SER A 119 9.042 6.610 22.908 1.00 0.00 H new ATOM 1819 N SER A 120 12.588 7.815 22.936 1.00 0.00 N ATOM 1820 CA SER A 120 13.346 8.357 24.058 1.00 0.00 C ATOM 1821 C SER A 120 14.844 8.324 23.768 1.00 0.00 C ATOM 1822 O SER A 120 15.648 7.987 24.636 1.00 0.00 O ATOM 1823 CB SER A 120 13.044 7.569 25.334 1.00 0.00 C ATOM 1824 OG SER A 120 13.604 6.268 25.274 1.00 0.00 O ATOM 0 H SER A 120 12.504 6.799 22.936 1.00 0.00 H new ATOM 0 HA SER A 120 13.044 9.395 24.201 1.00 0.00 H new ATOM 0 HB2 SER A 120 13.444 8.101 26.197 1.00 0.00 H new ATOM 0 HB3 SER A 120 11.965 7.498 25.475 1.00 0.00 H new ATOM 0 HG SER A 120 13.399 5.785 26.102 1.00 0.00 H new ATOM 1830 N GLY A 121 15.210 8.676 22.540 1.00 0.00 N ATOM 1831 CA GLY A 121 16.610 8.680 22.156 1.00 0.00 C ATOM 1832 C GLY A 121 17.249 10.046 22.309 1.00 0.00 C ATOM 1833 O GLY A 121 16.892 10.988 21.602 1.00 0.00 O ATOM 0 H GLY A 121 14.563 8.958 21.804 1.00 0.00 H new ATOM 0 HA2 GLY A 121 17.153 7.958 22.766 1.00 0.00 H new ATOM 0 HA3 GLY A 121 16.700 8.354 21.120 1.00 0.00 H new TER 1837 GLY A 121