USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 627 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 31 THR OG1 : rot -77:sc= 0.151 USER MOD Set 1.2: A 32 ASN :FLIP amide:sc= -1.06 F(o=-1.8,f=-0.91) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.122 USER MOD Single : A 5 SER OG : rot 30:sc= 0.133 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= -0.0008 (180deg=-0.0626) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 106:sc= -3.41! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 41:sc= 0.12 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0166 (180deg=-0.263) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00197) USER MOD Single : A 47 MET CE :methyl 135:sc= -1.11 (180deg=-2.54) USER MOD Single : A 49 ASN : amide:sc= -0.407 K(o=-0.41,f=-2!) USER MOD Single : A 50 ASN : amide:sc= 1.23 K(o=1.2,f=-0.037) USER MOD Single : A 52 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.047) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= 0.00311 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0357 X(o=-0.036,f=-0.036) USER MOD Single : A 59 TYR OH : rot -114:sc= 0.148 USER MOD Single : A 61 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -105:sc= 0.37 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.966 -4.599 3.429 1.00 0.00 N ATOM 2 CA GLY A 1 17.718 -5.430 2.265 1.00 0.00 C ATOM 3 C GLY A 1 16.443 -6.239 2.391 1.00 0.00 C ATOM 4 O GLY A 1 15.511 -6.069 1.605 1.00 0.00 O ATOM 0 H1 GLY A 1 18.849 -4.066 3.293 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.176 -3.934 3.556 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.051 -5.200 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.658 -4.799 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.561 -6.106 2.119 1.00 0.00 H new ATOM 8 N SER A 2 16.401 -7.124 3.382 1.00 0.00 N ATOM 9 CA SER A 2 15.232 -7.967 3.605 1.00 0.00 C ATOM 10 C SER A 2 15.028 -8.230 5.094 1.00 0.00 C ATOM 11 O SER A 2 15.867 -7.870 5.920 1.00 0.00 O ATOM 12 CB SER A 2 15.384 -9.293 2.857 1.00 0.00 C ATOM 13 OG SER A 2 15.375 -9.092 1.455 1.00 0.00 O ATOM 0 H SER A 2 17.163 -7.276 4.043 1.00 0.00 H new ATOM 0 HA SER A 2 14.357 -7.441 3.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.316 -9.776 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.574 -9.966 3.136 1.00 0.00 H new ATOM 0 HG SER A 2 15.475 -9.954 1.000 1.00 0.00 H new ATOM 19 N SER A 3 13.908 -8.862 5.429 1.00 0.00 N ATOM 20 CA SER A 3 13.591 -9.171 6.818 1.00 0.00 C ATOM 21 C SER A 3 13.376 -10.670 7.006 1.00 0.00 C ATOM 22 O SER A 3 14.033 -11.304 7.831 1.00 0.00 O ATOM 23 CB SER A 3 12.342 -8.406 7.260 1.00 0.00 C ATOM 24 OG SER A 3 11.242 -8.692 6.414 1.00 0.00 O ATOM 0 H SER A 3 13.205 -9.170 4.757 1.00 0.00 H new ATOM 0 HA SER A 3 14.435 -8.863 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.093 -8.672 8.287 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.545 -7.335 7.248 1.00 0.00 H new ATOM 0 HG SER A 3 10.456 -8.192 6.719 1.00 0.00 H new ATOM 30 N GLY A 4 12.450 -11.230 6.234 1.00 0.00 N ATOM 31 CA GLY A 4 12.164 -12.649 6.330 1.00 0.00 C ATOM 32 C GLY A 4 10.678 -12.937 6.419 1.00 0.00 C ATOM 33 O GLY A 4 10.061 -13.361 5.442 1.00 0.00 O ATOM 0 H GLY A 4 11.893 -10.726 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.578 -13.159 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.663 -13.058 7.208 1.00 0.00 H new ATOM 37 N SER A 5 10.102 -12.707 7.594 1.00 0.00 N ATOM 38 CA SER A 5 8.680 -12.949 7.809 1.00 0.00 C ATOM 39 C SER A 5 8.118 -11.990 8.854 1.00 0.00 C ATOM 40 O SER A 5 8.668 -11.853 9.947 1.00 0.00 O ATOM 41 CB SER A 5 8.448 -14.395 8.250 1.00 0.00 C ATOM 42 OG SER A 5 9.196 -14.699 9.414 1.00 0.00 O ATOM 0 H SER A 5 10.598 -12.353 8.412 1.00 0.00 H new ATOM 0 HA SER A 5 8.161 -12.777 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.387 -14.554 8.444 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.730 -15.074 7.445 1.00 0.00 H new ATOM 0 HG SER A 5 9.305 -13.888 9.954 1.00 0.00 H new ATOM 48 N SER A 6 7.017 -11.329 8.510 1.00 0.00 N ATOM 49 CA SER A 6 6.381 -10.380 9.416 1.00 0.00 C ATOM 50 C SER A 6 6.448 -10.876 10.857 1.00 0.00 C ATOM 51 O SER A 6 6.803 -10.128 11.767 1.00 0.00 O ATOM 52 CB SER A 6 4.923 -10.153 9.010 1.00 0.00 C ATOM 53 OG SER A 6 4.332 -9.125 9.786 1.00 0.00 O ATOM 0 H SER A 6 6.547 -11.433 7.611 1.00 0.00 H new ATOM 0 HA SER A 6 6.920 -9.435 9.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.873 -9.890 7.953 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.359 -11.077 9.135 1.00 0.00 H new ATOM 0 HG SER A 6 3.401 -8.998 9.506 1.00 0.00 H new ATOM 59 N GLY A 7 6.103 -12.145 11.056 1.00 0.00 N ATOM 60 CA GLY A 7 6.130 -12.721 12.388 1.00 0.00 C ATOM 61 C GLY A 7 5.227 -13.931 12.515 1.00 0.00 C ATOM 62 O GLY A 7 4.796 -14.500 11.513 1.00 0.00 O ATOM 0 H GLY A 7 5.805 -12.784 10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.152 -13.007 12.636 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.825 -11.966 13.113 1.00 0.00 H new ATOM 66 N ASN A 8 4.942 -14.328 13.751 1.00 0.00 N ATOM 67 CA ASN A 8 4.086 -15.482 14.005 1.00 0.00 C ATOM 68 C ASN A 8 2.613 -15.088 13.954 1.00 0.00 C ATOM 69 O ASN A 8 1.817 -15.710 13.252 1.00 0.00 O ATOM 70 CB ASN A 8 4.414 -16.097 15.366 1.00 0.00 C ATOM 71 CG ASN A 8 5.519 -17.133 15.281 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.686 -17.795 14.257 1.00 0.00 O ATOM 73 ND2 ASN A 8 6.279 -17.277 16.361 1.00 0.00 N ATOM 0 H ASN A 8 5.291 -13.868 14.592 1.00 0.00 H new ATOM 0 HA ASN A 8 4.274 -16.221 13.226 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.712 -15.308 16.056 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.517 -16.559 15.779 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.038 -17.959 16.363 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.104 -16.706 17.188 1.00 0.00 H new ATOM 80 N ALA A 9 2.258 -14.049 14.704 1.00 0.00 N ATOM 81 CA ALA A 9 0.882 -13.570 14.743 1.00 0.00 C ATOM 82 C ALA A 9 0.642 -12.502 13.681 1.00 0.00 C ATOM 83 O ALA A 9 1.509 -11.679 13.388 1.00 0.00 O ATOM 84 CB ALA A 9 0.551 -13.027 16.125 1.00 0.00 C ATOM 0 H ALA A 9 2.904 -13.523 15.292 1.00 0.00 H new ATOM 0 HA ALA A 9 0.224 -14.412 14.529 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.480 -12.673 16.139 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.673 -13.817 16.865 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.222 -12.201 16.362 1.00 0.00 H new ATOM 90 N PRO A 10 -0.562 -12.514 13.090 1.00 0.00 N ATOM 91 CA PRO A 10 -0.943 -11.553 12.051 1.00 0.00 C ATOM 92 C PRO A 10 -1.120 -10.143 12.603 1.00 0.00 C ATOM 93 O PRO A 10 -1.193 -9.944 13.816 1.00 0.00 O ATOM 94 CB PRO A 10 -2.279 -12.097 11.537 1.00 0.00 C ATOM 95 CG PRO A 10 -2.831 -12.883 12.676 1.00 0.00 C ATOM 96 CD PRO A 10 -1.644 -13.467 13.390 1.00 0.00 C ATOM 0 HA PRO A 10 -0.178 -11.463 11.279 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.952 -11.289 11.251 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.139 -12.722 10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.413 -12.247 13.343 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.498 -13.669 12.321 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.821 -13.549 14.462 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.410 -14.468 13.028 1.00 0.00 H new ATOM 104 N LYS A 11 -1.189 -9.165 11.706 1.00 0.00 N ATOM 105 CA LYS A 11 -1.359 -7.772 12.102 1.00 0.00 C ATOM 106 C LYS A 11 -2.693 -7.225 11.607 1.00 0.00 C ATOM 107 O LYS A 11 -3.099 -7.485 10.474 1.00 0.00 O ATOM 108 CB LYS A 11 -0.211 -6.921 11.555 1.00 0.00 C ATOM 109 CG LYS A 11 1.135 -7.239 12.183 1.00 0.00 C ATOM 110 CD LYS A 11 2.239 -6.368 11.606 1.00 0.00 C ATOM 111 CE LYS A 11 2.359 -5.051 12.355 1.00 0.00 C ATOM 112 NZ LYS A 11 3.005 -5.226 13.686 1.00 0.00 N ATOM 0 H LYS A 11 -1.130 -9.312 10.698 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.350 -7.726 13.191 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.143 -7.067 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.440 -5.868 11.720 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.079 -7.090 13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.375 -8.289 12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.188 -6.902 11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.036 -6.172 10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.939 -4.346 11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.368 -4.617 12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.268 -4.296 14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.340 -5.693 14.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.858 -5.812 13.584 1.00 0.00 H new ATOM 126 N ARG A 12 -3.370 -6.465 12.462 1.00 0.00 N ATOM 127 CA ARG A 12 -4.658 -5.880 12.110 1.00 0.00 C ATOM 128 C ARG A 12 -4.652 -5.376 10.670 1.00 0.00 C ATOM 129 O ARG A 12 -3.651 -4.858 10.172 1.00 0.00 O ATOM 130 CB ARG A 12 -4.999 -4.732 13.062 1.00 0.00 C ATOM 131 CG ARG A 12 -5.034 -5.144 14.525 1.00 0.00 C ATOM 132 CD ARG A 12 -5.600 -4.038 15.401 1.00 0.00 C ATOM 133 NE ARG A 12 -7.056 -3.968 15.322 1.00 0.00 N ATOM 134 CZ ARG A 12 -7.783 -3.054 15.955 1.00 0.00 C ATOM 135 NH1 ARG A 12 -7.192 -2.139 16.710 1.00 0.00 N ATOM 136 NH2 ARG A 12 -9.105 -3.055 15.833 1.00 0.00 N ATOM 0 H ARG A 12 -3.048 -6.240 13.403 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.417 -6.656 12.202 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.266 -3.936 12.935 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.969 -4.319 12.786 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.639 -6.044 14.636 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.027 -5.394 14.858 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.301 -4.206 16.436 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.174 -3.082 15.098 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.542 -4.659 14.750 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.177 -2.135 16.806 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.753 -1.438 17.195 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.563 -3.758 15.253 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.663 -2.353 16.319 1.00 0.00 H new ATOM 150 N PRO A 13 -5.794 -5.529 9.983 1.00 0.00 N ATOM 151 CA PRO A 13 -5.945 -5.096 8.591 1.00 0.00 C ATOM 152 C PRO A 13 -5.952 -3.577 8.454 1.00 0.00 C ATOM 153 O PRO A 13 -6.416 -2.853 9.335 1.00 0.00 O ATOM 154 CB PRO A 13 -7.301 -5.676 8.184 1.00 0.00 C ATOM 155 CG PRO A 13 -8.052 -5.816 9.463 1.00 0.00 C ATOM 156 CD PRO A 13 -7.025 -6.137 10.513 1.00 0.00 C ATOM 0 HA PRO A 13 -5.117 -5.434 7.967 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.821 -5.016 7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.186 -6.638 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.584 -4.896 9.706 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.799 -6.607 9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.296 -5.717 11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.915 -7.213 10.652 1.00 0.00 H new ATOM 164 N PRO A 14 -5.427 -3.081 7.324 1.00 0.00 N ATOM 165 CA PRO A 14 -5.362 -1.644 7.045 1.00 0.00 C ATOM 166 C PRO A 14 -6.739 -1.041 6.785 1.00 0.00 C ATOM 167 O PRO A 14 -7.617 -1.696 6.225 1.00 0.00 O ATOM 168 CB PRO A 14 -4.498 -1.565 5.784 1.00 0.00 C ATOM 169 CG PRO A 14 -4.674 -2.888 5.121 1.00 0.00 C ATOM 170 CD PRO A 14 -4.856 -3.886 6.231 1.00 0.00 C ATOM 0 HA PRO A 14 -4.960 -1.083 7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.819 -0.751 5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.452 -1.382 6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.539 -2.880 4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.806 -3.137 4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.524 -4.696 5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.909 -4.342 6.520 1.00 0.00 H new ATOM 178 N SER A 15 -6.919 0.210 7.196 1.00 0.00 N ATOM 179 CA SER A 15 -8.191 0.900 7.011 1.00 0.00 C ATOM 180 C SER A 15 -8.178 1.728 5.730 1.00 0.00 C ATOM 181 O SER A 15 -7.121 2.140 5.255 1.00 0.00 O ATOM 182 CB SER A 15 -8.486 1.801 8.211 1.00 0.00 C ATOM 183 OG SER A 15 -8.539 1.051 9.412 1.00 0.00 O ATOM 0 H SER A 15 -6.201 0.767 7.659 1.00 0.00 H new ATOM 0 HA SER A 15 -8.976 0.148 6.929 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.716 2.568 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.434 2.316 8.058 1.00 0.00 H new ATOM 0 HG SER A 15 -8.727 1.651 10.164 1.00 0.00 H new ATOM 189 N GLY A 16 -9.362 1.966 5.174 1.00 0.00 N ATOM 190 CA GLY A 16 -9.466 2.743 3.953 1.00 0.00 C ATOM 191 C GLY A 16 -8.494 3.906 3.921 1.00 0.00 C ATOM 192 O GLY A 16 -8.068 4.339 2.851 1.00 0.00 O ATOM 0 H GLY A 16 -10.251 1.634 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.280 2.095 3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.483 3.121 3.852 1.00 0.00 H new ATOM 196 N PHE A 17 -8.144 4.414 5.098 1.00 0.00 N ATOM 197 CA PHE A 17 -7.218 5.536 5.201 1.00 0.00 C ATOM 198 C PHE A 17 -5.773 5.062 5.077 1.00 0.00 C ATOM 199 O PHE A 17 -4.944 5.718 4.446 1.00 0.00 O ATOM 200 CB PHE A 17 -7.415 6.267 6.530 1.00 0.00 C ATOM 201 CG PHE A 17 -6.226 7.085 6.947 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.894 8.246 6.267 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.439 6.692 8.018 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.801 9.001 6.648 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.345 7.443 8.403 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.025 8.598 7.717 1.00 0.00 C ATOM 0 H PHE A 17 -8.487 4.067 5.994 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.427 6.224 4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.285 6.919 6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.634 5.536 7.308 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.497 8.565 5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.684 5.789 8.558 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.554 9.905 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.740 7.127 9.240 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.169 9.185 8.016 1.00 0.00 H new ATOM 216 N PHE A 18 -5.478 3.918 5.686 1.00 0.00 N ATOM 217 CA PHE A 18 -4.133 3.356 5.646 1.00 0.00 C ATOM 218 C PHE A 18 -3.776 2.898 4.235 1.00 0.00 C ATOM 219 O PHE A 18 -2.611 2.929 3.836 1.00 0.00 O ATOM 220 CB PHE A 18 -4.019 2.181 6.620 1.00 0.00 C ATOM 221 CG PHE A 18 -2.682 1.499 6.583 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.334 0.683 5.519 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.772 1.674 7.614 1.00 0.00 C ATOM 224 CE1 PHE A 18 -1.104 0.054 5.482 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.540 1.048 7.582 1.00 0.00 C ATOM 226 CZ PHE A 18 -0.206 0.236 6.516 1.00 0.00 C ATOM 0 H PHE A 18 -6.152 3.362 6.213 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.432 4.136 5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.207 2.539 7.632 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.796 1.452 6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.033 0.537 4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.028 2.306 8.451 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.845 -0.579 4.646 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.161 1.194 8.390 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.755 -0.256 6.491 1.00 0.00 H new ATOM 236 N LEU A 19 -4.786 2.472 3.485 1.00 0.00 N ATOM 237 CA LEU A 19 -4.581 2.006 2.118 1.00 0.00 C ATOM 238 C LEU A 19 -4.264 3.172 1.187 1.00 0.00 C ATOM 239 O LEU A 19 -3.154 3.281 0.667 1.00 0.00 O ATOM 240 CB LEU A 19 -5.822 1.264 1.619 1.00 0.00 C ATOM 241 CG LEU A 19 -6.132 -0.065 2.310 1.00 0.00 C ATOM 242 CD1 LEU A 19 -7.555 -0.506 2.005 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.137 -1.134 1.883 1.00 0.00 C ATOM 0 H LEU A 19 -5.755 2.440 3.800 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.732 1.323 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.684 1.921 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.704 1.077 0.552 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.041 0.078 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.757 -1.453 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.255 0.250 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.674 -0.631 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.373 -2.072 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.195 -1.275 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.129 -0.822 2.154 1.00 0.00 H new ATOM 255 N PHE A 20 -5.246 4.044 0.984 1.00 0.00 N ATOM 256 CA PHE A 20 -5.072 5.204 0.117 1.00 0.00 C ATOM 257 C PHE A 20 -3.768 5.930 0.436 1.00 0.00 C ATOM 258 O PHE A 20 -3.089 6.431 -0.461 1.00 0.00 O ATOM 259 CB PHE A 20 -6.254 6.163 0.270 1.00 0.00 C ATOM 260 CG PHE A 20 -5.911 7.591 -0.047 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.356 8.415 0.918 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.145 8.109 -1.311 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.039 9.729 0.630 1.00 0.00 C ATOM 264 CE2 PHE A 20 -5.830 9.422 -1.605 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.278 10.234 -0.634 1.00 0.00 C ATOM 0 H PHE A 20 -6.171 3.970 1.408 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.029 4.853 -0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.063 5.838 -0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.628 6.106 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.169 8.026 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.578 7.480 -2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.605 10.360 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.016 9.813 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.034 11.261 -0.862 1.00 0.00 H new ATOM 275 N CYS A 21 -3.425 5.982 1.718 1.00 0.00 N ATOM 276 CA CYS A 21 -2.204 6.648 2.156 1.00 0.00 C ATOM 277 C CYS A 21 -0.974 5.989 1.540 1.00 0.00 C ATOM 278 O CYS A 21 -0.184 6.641 0.858 1.00 0.00 O ATOM 279 CB CYS A 21 -2.102 6.619 3.682 1.00 0.00 C ATOM 280 SG CYS A 21 -3.013 7.944 4.508 1.00 0.00 S ATOM 0 H CYS A 21 -3.975 5.571 2.472 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.245 7.684 1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.472 5.659 4.042 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.052 6.683 3.966 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.088 7.457 5.053 1.00 0.00 H new ATOM 286 N SER A 22 -0.818 4.692 1.786 1.00 0.00 N ATOM 287 CA SER A 22 0.319 3.945 1.259 1.00 0.00 C ATOM 288 C SER A 22 0.236 3.830 -0.260 1.00 0.00 C ATOM 289 O SER A 22 1.232 3.551 -0.926 1.00 0.00 O ATOM 290 CB SER A 22 0.374 2.551 1.886 1.00 0.00 C ATOM 291 OG SER A 22 1.702 2.058 1.916 1.00 0.00 O ATOM 0 H SER A 22 -1.464 4.137 2.347 1.00 0.00 H new ATOM 0 HA SER A 22 1.229 4.487 1.515 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.026 2.588 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.258 1.868 1.318 1.00 0.00 H new ATOM 0 HG SER A 22 1.711 1.166 2.323 1.00 0.00 H new ATOM 297 N GLU A 23 -0.959 4.046 -0.800 1.00 0.00 N ATOM 298 CA GLU A 23 -1.172 3.966 -2.240 1.00 0.00 C ATOM 299 C GLU A 23 -0.863 5.301 -2.911 1.00 0.00 C ATOM 300 O GLU A 23 -0.458 5.345 -4.073 1.00 0.00 O ATOM 301 CB GLU A 23 -2.614 3.553 -2.542 1.00 0.00 C ATOM 302 CG GLU A 23 -2.938 3.514 -4.026 1.00 0.00 C ATOM 303 CD GLU A 23 -2.617 2.174 -4.659 1.00 0.00 C ATOM 304 OE1 GLU A 23 -1.799 1.427 -4.082 1.00 0.00 O ATOM 305 OE2 GLU A 23 -3.184 1.872 -5.730 1.00 0.00 O ATOM 0 H GLU A 23 -1.794 4.278 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.494 3.212 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.799 2.568 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.293 4.248 -2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.996 3.735 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.377 4.297 -4.537 1.00 0.00 H new ATOM 312 N PHE A 24 -1.057 6.387 -2.171 1.00 0.00 N ATOM 313 CA PHE A 24 -0.800 7.724 -2.694 1.00 0.00 C ATOM 314 C PHE A 24 0.583 8.215 -2.278 1.00 0.00 C ATOM 315 O PHE A 24 1.121 9.157 -2.860 1.00 0.00 O ATOM 316 CB PHE A 24 -1.870 8.701 -2.202 1.00 0.00 C ATOM 317 CG PHE A 24 -3.057 8.801 -3.117 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.787 7.672 -3.451 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.444 10.024 -3.641 1.00 0.00 C ATOM 320 CE1 PHE A 24 -4.880 7.760 -4.293 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.536 10.119 -4.483 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.255 8.986 -4.808 1.00 0.00 C ATOM 0 H PHE A 24 -1.391 6.368 -1.208 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.836 7.674 -3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.208 8.389 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.424 9.689 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.499 6.712 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.886 10.913 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.440 6.872 -4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.826 11.078 -4.886 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.110 9.058 -5.464 1.00 0.00 H new ATOM 332 N ARG A 25 1.154 7.569 -1.266 1.00 0.00 N ATOM 333 CA ARG A 25 2.473 7.940 -0.770 1.00 0.00 C ATOM 334 C ARG A 25 3.494 7.961 -1.903 1.00 0.00 C ATOM 335 O ARG A 25 4.297 8.885 -2.032 1.00 0.00 O ATOM 336 CB ARG A 25 2.925 6.965 0.320 1.00 0.00 C ATOM 337 CG ARG A 25 3.801 7.605 1.384 1.00 0.00 C ATOM 338 CD ARG A 25 4.187 6.604 2.463 1.00 0.00 C ATOM 339 NE ARG A 25 3.146 6.466 3.478 1.00 0.00 N ATOM 340 CZ ARG A 25 3.311 5.795 4.613 1.00 0.00 C ATOM 341 NH1 ARG A 25 4.469 5.207 4.876 1.00 0.00 N ATOM 342 NH2 ARG A 25 2.316 5.714 5.487 1.00 0.00 N ATOM 0 H ARG A 25 0.723 6.786 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 25 2.405 8.942 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.045 6.533 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.472 6.144 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.702 8.008 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.272 8.444 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.378 5.633 2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.116 6.922 2.937 1.00 0.00 H new ATOM 0 HE ARG A 25 2.243 6.909 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.236 5.269 4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.593 4.693 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.424 6.167 5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.443 5.199 6.358 1.00 0.00 H new ATOM 356 N PRO A 26 3.465 6.918 -2.746 1.00 0.00 N ATOM 357 CA PRO A 26 4.381 6.793 -3.884 1.00 0.00 C ATOM 358 C PRO A 26 4.462 8.074 -4.706 1.00 0.00 C ATOM 359 O PRO A 26 5.550 8.551 -5.027 1.00 0.00 O ATOM 360 CB PRO A 26 3.765 5.663 -4.713 1.00 0.00 C ATOM 361 CG PRO A 26 2.997 4.847 -3.730 1.00 0.00 C ATOM 362 CD PRO A 26 2.534 5.780 -2.653 1.00 0.00 C ATOM 0 HA PRO A 26 5.404 6.596 -3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.115 6.055 -5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.534 5.069 -5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.148 4.362 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.621 4.057 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.502 6.094 -2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.576 5.309 -1.671 1.00 0.00 H new ATOM 370 N LYS A 27 3.302 8.628 -5.045 1.00 0.00 N ATOM 371 CA LYS A 27 3.241 9.855 -5.830 1.00 0.00 C ATOM 372 C LYS A 27 3.877 11.017 -5.073 1.00 0.00 C ATOM 373 O LYS A 27 4.664 11.779 -5.635 1.00 0.00 O ATOM 374 CB LYS A 27 1.789 10.192 -6.175 1.00 0.00 C ATOM 375 CG LYS A 27 1.078 9.097 -6.952 1.00 0.00 C ATOM 376 CD LYS A 27 -0.420 9.116 -6.699 1.00 0.00 C ATOM 377 CE LYS A 27 -1.127 8.001 -7.455 1.00 0.00 C ATOM 378 NZ LYS A 27 -2.573 8.296 -7.652 1.00 0.00 N ATOM 0 H LYS A 27 2.392 8.246 -4.788 1.00 0.00 H new ATOM 0 HA LYS A 27 3.800 9.695 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.241 10.386 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.767 11.112 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.269 9.223 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.484 8.126 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.611 9.011 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.829 10.079 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.650 7.860 -8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.018 7.065 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.020 7.513 -8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.034 8.406 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.677 9.176 -8.197 1.00 0.00 H new ATOM 392 N ILE A 28 3.533 11.145 -3.796 1.00 0.00 N ATOM 393 CA ILE A 28 4.073 12.212 -2.963 1.00 0.00 C ATOM 394 C ILE A 28 5.596 12.159 -2.920 1.00 0.00 C ATOM 395 O ILE A 28 6.261 13.186 -2.786 1.00 0.00 O ATOM 396 CB ILE A 28 3.528 12.134 -1.525 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.004 12.270 -1.526 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.161 13.212 -0.659 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.392 12.227 -0.143 1.00 0.00 C ATOM 0 H ILE A 28 2.883 10.523 -3.316 1.00 0.00 H new ATOM 0 HA ILE A 28 3.757 13.153 -3.413 1.00 0.00 H new ATOM 0 HB ILE A 28 3.787 11.161 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.732 13.210 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.576 11.469 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.765 13.144 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.242 13.073 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.930 14.193 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.310 12.329 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.634 11.276 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.791 13.045 0.457 1.00 0.00 H new ATOM 411 N LYS A 29 6.144 10.954 -3.037 1.00 0.00 N ATOM 412 CA LYS A 29 7.590 10.765 -3.016 1.00 0.00 C ATOM 413 C LYS A 29 8.208 11.143 -4.358 1.00 0.00 C ATOM 414 O LYS A 29 9.403 11.425 -4.445 1.00 0.00 O ATOM 415 CB LYS A 29 7.930 9.311 -2.677 1.00 0.00 C ATOM 416 CG LYS A 29 7.395 8.860 -1.329 1.00 0.00 C ATOM 417 CD LYS A 29 8.257 7.763 -0.726 1.00 0.00 C ATOM 418 CE LYS A 29 9.470 8.337 -0.011 1.00 0.00 C ATOM 419 NZ LYS A 29 10.118 7.333 0.877 1.00 0.00 N ATOM 0 H LYS A 29 5.608 10.093 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 29 8.005 11.418 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.527 8.662 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.013 9.188 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.358 9.710 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.373 8.499 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.664 7.177 -0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.585 7.083 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.192 8.690 -0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.168 9.202 0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.940 7.764 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.437 7.015 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.430 6.518 0.311 1.00 0.00 H new ATOM 433 N SER A 30 7.386 11.147 -5.403 1.00 0.00 N ATOM 434 CA SER A 30 7.853 11.488 -6.742 1.00 0.00 C ATOM 435 C SER A 30 7.567 12.953 -7.060 1.00 0.00 C ATOM 436 O SER A 30 8.252 13.569 -7.877 1.00 0.00 O ATOM 437 CB SER A 30 7.185 10.588 -7.783 1.00 0.00 C ATOM 438 OG SER A 30 5.842 10.308 -7.428 1.00 0.00 O ATOM 0 H SER A 30 6.394 10.918 -5.348 1.00 0.00 H new ATOM 0 HA SER A 30 8.931 11.331 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.213 11.073 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.742 9.656 -7.874 1.00 0.00 H new ATOM 0 HG SER A 30 5.419 11.121 -7.081 1.00 0.00 H new ATOM 444 N THR A 31 6.548 13.505 -6.408 1.00 0.00 N ATOM 445 CA THR A 31 6.169 14.896 -6.621 1.00 0.00 C ATOM 446 C THR A 31 7.006 15.833 -5.757 1.00 0.00 C ATOM 447 O THR A 31 7.475 16.870 -6.224 1.00 0.00 O ATOM 448 CB THR A 31 4.678 15.126 -6.311 1.00 0.00 C ATOM 449 OG1 THR A 31 4.228 14.176 -5.339 1.00 0.00 O ATOM 450 CG2 THR A 31 3.838 15.005 -7.574 1.00 0.00 C ATOM 0 H THR A 31 5.971 13.010 -5.728 1.00 0.00 H new ATOM 0 HA THR A 31 6.352 15.115 -7.673 1.00 0.00 H new ATOM 0 HB THR A 31 4.563 16.134 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.085 13.308 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.789 15.171 -7.330 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.164 15.749 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.959 14.008 -7.997 1.00 0.00 H new ATOM 458 N ASN A 32 7.190 15.460 -4.495 1.00 0.00 N ATOM 459 CA ASN A 32 7.971 16.267 -3.565 1.00 0.00 C ATOM 460 C ASN A 32 9.441 15.857 -3.591 1.00 0.00 C ATOM 461 O ASN A 32 9.784 14.678 -3.502 1.00 0.00 O ATOM 462 CB ASN A 32 7.416 16.129 -2.146 1.00 0.00 C ATOM 463 CG ASN A 32 6.065 16.798 -1.986 1.00 0.00 C ATOM 464 OD1 ASN A 32 5.089 16.356 -2.770 1.00 0.00 O flip ATOM 465 ND2 ASN A 32 5.901 17.703 -1.167 1.00 0.00 N flip ATOM 0 H ASN A 32 6.809 14.604 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 32 7.897 17.309 -3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.327 15.072 -1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.121 16.566 -1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.680 18.011 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.986 18.144 -1.071 1.00 0.00 H new ATOM 472 N PRO A 33 10.331 16.853 -3.714 1.00 0.00 N ATOM 473 CA PRO A 33 11.778 16.621 -3.753 1.00 0.00 C ATOM 474 C PRO A 33 12.328 16.165 -2.406 1.00 0.00 C ATOM 475 O PRO A 33 12.090 16.801 -1.380 1.00 0.00 O ATOM 476 CB PRO A 33 12.346 17.992 -4.127 1.00 0.00 C ATOM 477 CG PRO A 33 11.321 18.968 -3.661 1.00 0.00 C ATOM 478 CD PRO A 33 9.993 18.282 -3.825 1.00 0.00 C ATOM 0 HA PRO A 33 12.046 15.828 -4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.307 18.167 -3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.510 18.073 -5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.491 19.246 -2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.361 19.886 -4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.285 18.588 -3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.537 18.514 -4.788 1.00 0.00 H new ATOM 486 N GLY A 34 13.066 15.059 -2.417 1.00 0.00 N ATOM 487 CA GLY A 34 13.639 14.537 -1.190 1.00 0.00 C ATOM 488 C GLY A 34 12.749 14.778 0.013 1.00 0.00 C ATOM 489 O GLY A 34 13.200 15.304 1.031 1.00 0.00 O ATOM 0 H GLY A 34 13.277 14.515 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.814 13.467 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.610 15.002 -1.019 1.00 0.00 H new ATOM 493 N ILE A 35 11.483 14.394 -0.104 1.00 0.00 N ATOM 494 CA ILE A 35 10.528 14.572 0.984 1.00 0.00 C ATOM 495 C ILE A 35 10.822 13.616 2.135 1.00 0.00 C ATOM 496 O ILE A 35 11.026 12.421 1.926 1.00 0.00 O ATOM 497 CB ILE A 35 9.081 14.351 0.504 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.090 14.787 1.585 1.00 0.00 C ATOM 499 CG2 ILE A 35 8.863 12.892 0.135 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.743 15.205 1.038 1.00 0.00 C ATOM 0 H ILE A 35 11.094 13.958 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 35 10.634 15.599 1.332 1.00 0.00 H new ATOM 0 HB ILE A 35 8.911 14.959 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.948 13.967 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.519 15.618 2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.836 12.752 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.549 12.613 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.048 12.265 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.092 15.501 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.872 16.046 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.293 14.370 0.502 1.00 0.00 H new ATOM 512 N SER A 36 10.839 14.152 3.351 1.00 0.00 N ATOM 513 CA SER A 36 11.109 13.347 4.537 1.00 0.00 C ATOM 514 C SER A 36 9.856 12.599 4.983 1.00 0.00 C ATOM 515 O SER A 36 8.739 13.096 4.837 1.00 0.00 O ATOM 516 CB SER A 36 11.621 14.232 5.675 1.00 0.00 C ATOM 517 OG SER A 36 12.487 13.510 6.532 1.00 0.00 O ATOM 0 H SER A 36 10.669 15.140 3.541 1.00 0.00 H new ATOM 0 HA SER A 36 11.876 12.616 4.282 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.147 15.093 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.777 14.619 6.247 1.00 0.00 H new ATOM 0 HG SER A 36 12.802 14.098 7.250 1.00 0.00 H new ATOM 523 N ILE A 37 10.051 11.403 5.528 1.00 0.00 N ATOM 524 CA ILE A 37 8.938 10.587 5.996 1.00 0.00 C ATOM 525 C ILE A 37 7.963 11.413 6.829 1.00 0.00 C ATOM 526 O ILE A 37 6.748 11.244 6.730 1.00 0.00 O ATOM 527 CB ILE A 37 9.429 9.393 6.836 1.00 0.00 C ATOM 528 CG1 ILE A 37 10.324 8.482 5.993 1.00 0.00 C ATOM 529 CG2 ILE A 37 8.247 8.615 7.394 1.00 0.00 C ATOM 530 CD1 ILE A 37 11.354 7.728 6.804 1.00 0.00 C ATOM 0 H ILE A 37 10.969 10.978 5.656 1.00 0.00 H new ATOM 0 HA ILE A 37 8.428 10.211 5.109 1.00 0.00 H new ATOM 0 HB ILE A 37 10.015 9.773 7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.699 7.766 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.835 9.083 5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.611 7.775 7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.646 9.269 8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.636 8.243 6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.952 7.103 6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.003 8.437 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.850 7.100 7.539 1.00 0.00 H new ATOM 542 N GLY A 38 8.505 12.309 7.649 1.00 0.00 N ATOM 543 CA GLY A 38 7.669 13.149 8.486 1.00 0.00 C ATOM 544 C GLY A 38 6.726 14.018 7.676 1.00 0.00 C ATOM 545 O GLY A 38 5.575 14.222 8.061 1.00 0.00 O ATOM 0 H GLY A 38 9.508 12.468 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.089 12.521 9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.302 13.784 9.106 1.00 0.00 H new ATOM 549 N ASP A 39 7.216 14.533 6.554 1.00 0.00 N ATOM 550 CA ASP A 39 6.410 15.386 5.688 1.00 0.00 C ATOM 551 C ASP A 39 5.258 14.599 5.071 1.00 0.00 C ATOM 552 O ASP A 39 4.089 14.873 5.344 1.00 0.00 O ATOM 553 CB ASP A 39 7.277 15.995 4.585 1.00 0.00 C ATOM 554 CG ASP A 39 7.984 17.258 5.036 1.00 0.00 C ATOM 555 OD1 ASP A 39 9.027 17.145 5.714 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.496 18.359 4.709 1.00 0.00 O ATOM 0 H ASP A 39 8.168 14.375 6.223 1.00 0.00 H new ATOM 0 HA ASP A 39 5.994 16.189 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.017 15.263 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.654 16.220 3.720 1.00 0.00 H new ATOM 561 N VAL A 40 5.596 13.622 4.236 1.00 0.00 N ATOM 562 CA VAL A 40 4.590 12.795 3.580 1.00 0.00 C ATOM 563 C VAL A 40 3.425 12.498 4.517 1.00 0.00 C ATOM 564 O VAL A 40 2.262 12.635 4.141 1.00 0.00 O ATOM 565 CB VAL A 40 5.191 11.465 3.088 1.00 0.00 C ATOM 566 CG1 VAL A 40 4.102 10.561 2.529 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.269 11.720 2.046 1.00 0.00 C ATOM 0 H VAL A 40 6.559 13.384 3.998 1.00 0.00 H new ATOM 0 HA VAL A 40 4.226 13.361 2.722 1.00 0.00 H new ATOM 0 HB VAL A 40 5.651 10.959 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.546 9.626 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.369 10.351 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.611 11.058 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.682 10.769 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.836 12.248 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.062 12.326 2.484 1.00 0.00 H new ATOM 577 N ALA A 41 3.747 12.092 5.741 1.00 0.00 N ATOM 578 CA ALA A 41 2.727 11.778 6.734 1.00 0.00 C ATOM 579 C ALA A 41 1.780 12.956 6.940 1.00 0.00 C ATOM 580 O ALA A 41 0.571 12.776 7.083 1.00 0.00 O ATOM 581 CB ALA A 41 3.377 11.384 8.052 1.00 0.00 C ATOM 0 H ALA A 41 4.706 11.973 6.068 1.00 0.00 H new ATOM 0 HA ALA A 41 2.142 10.936 6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.604 11.152 8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.007 10.507 7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.987 12.210 8.418 1.00 0.00 H new ATOM 587 N LYS A 42 2.339 14.161 6.956 1.00 0.00 N ATOM 588 CA LYS A 42 1.545 15.370 7.144 1.00 0.00 C ATOM 589 C LYS A 42 0.565 15.563 5.991 1.00 0.00 C ATOM 590 O LYS A 42 -0.621 15.811 6.205 1.00 0.00 O ATOM 591 CB LYS A 42 2.459 16.592 7.261 1.00 0.00 C ATOM 592 CG LYS A 42 1.887 17.698 8.130 1.00 0.00 C ATOM 593 CD LYS A 42 2.298 17.534 9.584 1.00 0.00 C ATOM 594 CE LYS A 42 2.065 18.811 10.376 1.00 0.00 C ATOM 595 NZ LYS A 42 2.997 19.897 9.964 1.00 0.00 N ATOM 0 H LYS A 42 3.339 14.327 6.841 1.00 0.00 H new ATOM 0 HA LYS A 42 0.975 15.260 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.419 16.279 7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.652 16.988 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.229 18.665 7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.800 17.695 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.732 16.718 10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.351 17.259 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.036 19.143 10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.192 18.607 11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.039 20.620 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.946 19.501 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.657 20.330 9.081 1.00 0.00 H new ATOM 609 N LYS A 43 1.069 15.446 4.767 1.00 0.00 N ATOM 610 CA LYS A 43 0.239 15.604 3.579 1.00 0.00 C ATOM 611 C LYS A 43 -0.863 14.550 3.541 1.00 0.00 C ATOM 612 O LYS A 43 -2.048 14.879 3.468 1.00 0.00 O ATOM 613 CB LYS A 43 1.097 15.507 2.315 1.00 0.00 C ATOM 614 CG LYS A 43 1.737 16.824 1.911 1.00 0.00 C ATOM 615 CD LYS A 43 2.797 16.623 0.842 1.00 0.00 C ATOM 616 CE LYS A 43 2.177 16.484 -0.539 1.00 0.00 C ATOM 617 NZ LYS A 43 1.774 17.803 -1.102 1.00 0.00 N ATOM 0 H LYS A 43 2.049 15.242 4.572 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.226 16.589 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.880 14.766 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.479 15.146 1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.970 17.504 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.186 17.295 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.487 17.467 0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.381 15.732 1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.890 16.005 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.305 15.832 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.387 17.669 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.050 18.234 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.604 18.428 -1.149 1.00 0.00 H new ATOM 631 N LEU A 44 -0.466 13.284 3.592 1.00 0.00 N ATOM 632 CA LEU A 44 -1.421 12.181 3.564 1.00 0.00 C ATOM 633 C LEU A 44 -2.699 12.548 4.312 1.00 0.00 C ATOM 634 O LEU A 44 -3.791 12.517 3.747 1.00 0.00 O ATOM 635 CB LEU A 44 -0.798 10.927 4.181 1.00 0.00 C ATOM 636 CG LEU A 44 0.156 10.140 3.282 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.695 8.921 4.014 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.544 9.725 1.996 1.00 0.00 C ATOM 0 H LEU A 44 0.510 12.995 3.653 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.676 11.979 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.258 11.219 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.603 10.262 4.493 1.00 0.00 H new ATOM 0 HG LEU A 44 0.996 10.785 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.372 8.373 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.233 9.241 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.133 8.274 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.150 9.166 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.403 9.098 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.881 10.614 1.462 1.00 0.00 H new ATOM 650 N GLY A 45 -2.553 12.898 5.586 1.00 0.00 N ATOM 651 CA GLY A 45 -3.704 13.269 6.390 1.00 0.00 C ATOM 652 C GLY A 45 -4.634 14.222 5.665 1.00 0.00 C ATOM 653 O GLY A 45 -5.787 13.887 5.396 1.00 0.00 O ATOM 0 H GLY A 45 -1.659 12.931 6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.254 12.370 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.363 13.733 7.316 1.00 0.00 H new ATOM 657 N GLU A 46 -4.132 15.412 5.351 1.00 0.00 N ATOM 658 CA GLU A 46 -4.929 16.416 4.655 1.00 0.00 C ATOM 659 C GLU A 46 -5.642 15.807 3.452 1.00 0.00 C ATOM 660 O GLU A 46 -6.833 16.035 3.242 1.00 0.00 O ATOM 661 CB GLU A 46 -4.042 17.578 4.202 1.00 0.00 C ATOM 662 CG GLU A 46 -3.928 18.693 5.228 1.00 0.00 C ATOM 663 CD GLU A 46 -5.120 19.629 5.208 1.00 0.00 C ATOM 664 OE1 GLU A 46 -5.733 19.785 4.131 1.00 0.00 O ATOM 665 OE2 GLU A 46 -5.440 20.207 6.268 1.00 0.00 O ATOM 0 H GLU A 46 -3.179 15.704 5.567 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.681 16.791 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.045 17.198 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.441 17.989 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.829 18.258 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.019 19.264 5.039 1.00 0.00 H new ATOM 672 N MET A 47 -4.905 15.031 2.664 1.00 0.00 N ATOM 673 CA MET A 47 -5.467 14.388 1.482 1.00 0.00 C ATOM 674 C MET A 47 -6.710 13.580 1.842 1.00 0.00 C ATOM 675 O MET A 47 -7.801 13.848 1.340 1.00 0.00 O ATOM 676 CB MET A 47 -4.426 13.480 0.826 1.00 0.00 C ATOM 677 CG MET A 47 -3.112 14.182 0.522 1.00 0.00 C ATOM 678 SD MET A 47 -1.813 13.037 0.018 1.00 0.00 S ATOM 679 CE MET A 47 -2.462 12.456 -1.547 1.00 0.00 C ATOM 0 H MET A 47 -3.917 14.832 2.823 1.00 0.00 H new ATOM 0 HA MET A 47 -5.754 15.168 0.776 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.232 12.631 1.482 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.837 13.080 -0.101 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.271 14.916 -0.268 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.785 14.731 1.405 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.667 12.454 -2.292 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.849 11.444 -1.427 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.265 13.116 -1.875 1.00 0.00 H new ATOM 689 N TRP A 48 -6.535 12.592 2.712 1.00 0.00 N ATOM 690 CA TRP A 48 -7.644 11.745 3.138 1.00 0.00 C ATOM 691 C TRP A 48 -8.884 12.580 3.437 1.00 0.00 C ATOM 692 O TRP A 48 -9.977 12.276 2.963 1.00 0.00 O ATOM 693 CB TRP A 48 -7.248 10.936 4.374 1.00 0.00 C ATOM 694 CG TRP A 48 -8.342 10.041 4.873 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.972 10.114 6.083 1.00 0.00 C ATOM 696 CD2 TRP A 48 -8.933 8.939 4.176 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.919 9.123 6.180 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.916 8.389 5.023 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.730 8.364 2.919 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.690 7.293 4.652 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.499 7.276 2.552 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.469 6.750 3.415 1.00 0.00 C ATOM 0 H TRP A 48 -5.637 12.358 3.136 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.879 11.060 2.324 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.372 10.331 4.138 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.957 11.621 5.170 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.757 10.843 6.850 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.526 8.960 6.983 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.985 8.763 2.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.438 6.886 5.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.350 6.823 1.583 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.054 5.899 3.098 1.00 0.00 H new ATOM 713 N ASN A 49 -8.705 13.635 4.226 1.00 0.00 N ATOM 714 CA ASN A 49 -9.811 14.514 4.588 1.00 0.00 C ATOM 715 C ASN A 49 -10.411 15.173 3.349 1.00 0.00 C ATOM 716 O ASN A 49 -11.629 15.216 3.185 1.00 0.00 O ATOM 717 CB ASN A 49 -9.337 15.587 5.571 1.00 0.00 C ATOM 718 CG ASN A 49 -10.468 16.479 6.044 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.069 17.208 5.255 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.763 16.424 7.337 1.00 0.00 N ATOM 0 H ASN A 49 -7.806 13.902 4.626 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.582 13.909 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.872 15.107 6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.571 16.199 5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.515 17.001 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.238 15.805 7.954 1.00 0.00 H new ATOM 727 N ASN A 50 -9.545 15.684 2.480 1.00 0.00 N ATOM 728 CA ASN A 50 -9.989 16.341 1.256 1.00 0.00 C ATOM 729 C ASN A 50 -10.943 15.445 0.473 1.00 0.00 C ATOM 730 O ASN A 50 -11.899 15.922 -0.140 1.00 0.00 O ATOM 731 CB ASN A 50 -8.786 16.708 0.385 1.00 0.00 C ATOM 732 CG ASN A 50 -8.256 18.097 0.686 1.00 0.00 C ATOM 733 OD1 ASN A 50 -8.404 19.017 -0.118 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.634 18.253 1.849 1.00 0.00 N ATOM 0 H ASN A 50 -8.533 15.656 2.601 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.520 17.252 1.534 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.992 15.978 0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.071 16.651 -0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.256 19.164 2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.535 17.461 2.484 1.00 0.00 H new ATOM 741 N LEU A 51 -10.678 14.143 0.498 1.00 0.00 N ATOM 742 CA LEU A 51 -11.514 13.178 -0.208 1.00 0.00 C ATOM 743 C LEU A 51 -12.946 13.211 0.316 1.00 0.00 C ATOM 744 O LEU A 51 -13.188 13.578 1.465 1.00 0.00 O ATOM 745 CB LEU A 51 -10.937 11.770 -0.061 1.00 0.00 C ATOM 746 CG LEU A 51 -9.634 11.495 -0.813 1.00 0.00 C ATOM 747 CD1 LEU A 51 -8.956 10.248 -0.270 1.00 0.00 C ATOM 748 CD2 LEU A 51 -9.900 11.353 -2.305 1.00 0.00 C ATOM 0 H LEU A 51 -9.891 13.731 1.000 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.527 13.450 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.769 11.577 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.686 11.055 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.964 12.342 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.031 10.069 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.731 10.388 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.620 9.392 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.962 11.158 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.588 10.525 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.340 12.275 -2.685 1.00 0.00 H new ATOM 760 N ASN A 52 -13.891 12.823 -0.534 1.00 0.00 N ATOM 761 CA ASN A 52 -15.299 12.806 -0.156 1.00 0.00 C ATOM 762 C ASN A 52 -15.784 11.378 0.077 1.00 0.00 C ATOM 763 O ASN A 52 -15.171 10.420 -0.395 1.00 0.00 O ATOM 764 CB ASN A 52 -16.148 13.475 -1.239 1.00 0.00 C ATOM 765 CG ASN A 52 -15.589 14.819 -1.664 1.00 0.00 C ATOM 766 OD1 ASN A 52 -15.861 15.843 -1.036 1.00 0.00 O ATOM 767 ND2 ASN A 52 -14.804 14.822 -2.735 1.00 0.00 N ATOM 0 H ASN A 52 -13.707 12.516 -1.489 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.405 13.363 0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.208 12.819 -2.107 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.165 13.608 -0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.399 15.697 -3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.606 13.949 -3.224 1.00 0.00 H new ATOM 774 N ASP A 53 -16.886 11.245 0.805 1.00 0.00 N ATOM 775 CA ASP A 53 -17.454 9.934 1.099 1.00 0.00 C ATOM 776 C ASP A 53 -17.460 9.053 -0.147 1.00 0.00 C ATOM 777 O ASP A 53 -17.052 7.893 -0.100 1.00 0.00 O ATOM 778 CB ASP A 53 -18.877 10.081 1.641 1.00 0.00 C ATOM 779 CG ASP A 53 -18.925 10.873 2.933 1.00 0.00 C ATOM 780 OD1 ASP A 53 -18.586 12.076 2.905 1.00 0.00 O ATOM 781 OD2 ASP A 53 -19.301 10.292 3.972 1.00 0.00 O ATOM 0 H ASP A 53 -17.404 12.028 1.203 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.832 9.457 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.499 10.573 0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.303 9.092 1.808 1.00 0.00 H new ATOM 786 N SER A 54 -17.927 9.612 -1.259 1.00 0.00 N ATOM 787 CA SER A 54 -17.991 8.876 -2.516 1.00 0.00 C ATOM 788 C SER A 54 -16.599 8.435 -2.958 1.00 0.00 C ATOM 789 O SER A 54 -16.439 7.387 -3.584 1.00 0.00 O ATOM 790 CB SER A 54 -18.635 9.737 -3.604 1.00 0.00 C ATOM 791 OG SER A 54 -20.049 9.659 -3.545 1.00 0.00 O ATOM 0 H SER A 54 -18.267 10.572 -1.315 1.00 0.00 H new ATOM 0 HA SER A 54 -18.602 7.987 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.319 10.774 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.290 9.408 -4.584 1.00 0.00 H new ATOM 0 HG SER A 54 -20.437 10.219 -4.249 1.00 0.00 H new ATOM 797 N GLU A 55 -15.596 9.243 -2.629 1.00 0.00 N ATOM 798 CA GLU A 55 -14.218 8.936 -2.993 1.00 0.00 C ATOM 799 C GLU A 55 -13.646 7.847 -2.090 1.00 0.00 C ATOM 800 O GLU A 55 -12.904 6.975 -2.543 1.00 0.00 O ATOM 801 CB GLU A 55 -13.352 10.195 -2.904 1.00 0.00 C ATOM 802 CG GLU A 55 -13.931 11.386 -3.649 1.00 0.00 C ATOM 803 CD GLU A 55 -12.860 12.320 -4.178 1.00 0.00 C ATOM 804 OE1 GLU A 55 -12.246 11.991 -5.214 1.00 0.00 O ATOM 805 OE2 GLU A 55 -12.636 13.379 -3.556 1.00 0.00 O ATOM 0 H GLU A 55 -15.712 10.114 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.213 8.571 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.221 10.462 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.362 9.974 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.539 11.029 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.594 11.939 -2.983 1.00 0.00 H new ATOM 812 N LYS A 56 -13.996 7.904 -0.810 1.00 0.00 N ATOM 813 CA LYS A 56 -13.519 6.924 0.159 1.00 0.00 C ATOM 814 C LYS A 56 -14.339 5.640 0.081 1.00 0.00 C ATOM 815 O LYS A 56 -13.886 4.577 0.507 1.00 0.00 O ATOM 816 CB LYS A 56 -13.588 7.500 1.575 1.00 0.00 C ATOM 817 CG LYS A 56 -12.637 8.662 1.805 1.00 0.00 C ATOM 818 CD LYS A 56 -12.866 9.309 3.160 1.00 0.00 C ATOM 819 CE LYS A 56 -12.048 10.582 3.315 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.256 11.217 4.646 1.00 0.00 N ATOM 0 H LYS A 56 -14.609 8.619 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.482 6.688 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.607 7.830 1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.363 6.710 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.608 8.310 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.771 9.405 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.925 9.539 3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.600 8.606 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.991 10.352 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.321 11.287 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.054 12.235 4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.242 11.078 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.617 10.782 5.342 1.00 0.00 H new ATOM 834 N GLN A 57 -15.546 5.745 -0.465 1.00 0.00 N ATOM 835 CA GLN A 57 -16.427 4.591 -0.599 1.00 0.00 C ATOM 836 C GLN A 57 -15.652 3.366 -1.073 1.00 0.00 C ATOM 837 O GLN A 57 -15.622 2.327 -0.414 1.00 0.00 O ATOM 838 CB GLN A 57 -17.563 4.901 -1.575 1.00 0.00 C ATOM 839 CG GLN A 57 -18.820 5.426 -0.900 1.00 0.00 C ATOM 840 CD GLN A 57 -19.583 4.342 -0.164 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.270 3.525 -0.778 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.467 4.330 1.158 1.00 0.00 N ATOM 0 H GLN A 57 -15.936 6.617 -0.822 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.850 4.373 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.216 5.637 -2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.810 3.997 -2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.549 6.215 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.470 5.877 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.887 5.027 1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.958 3.624 1.707 1.00 0.00 H new ATOM 851 N PRO A 58 -15.010 3.489 -2.245 1.00 0.00 N ATOM 852 CA PRO A 58 -14.223 2.402 -2.833 1.00 0.00 C ATOM 853 C PRO A 58 -12.945 2.121 -2.050 1.00 0.00 C ATOM 854 O PRO A 58 -12.260 1.128 -2.296 1.00 0.00 O ATOM 855 CB PRO A 58 -13.889 2.923 -4.233 1.00 0.00 C ATOM 856 CG PRO A 58 -13.940 4.407 -4.107 1.00 0.00 C ATOM 857 CD PRO A 58 -15.003 4.699 -3.084 1.00 0.00 C ATOM 0 HA PRO A 58 -14.769 1.458 -2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.904 2.587 -4.556 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.606 2.563 -4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.975 4.805 -3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.180 4.872 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.767 5.590 -2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.973 4.870 -3.550 1.00 0.00 H new ATOM 865 N TYR A 59 -12.630 3.001 -1.106 1.00 0.00 N ATOM 866 CA TYR A 59 -11.433 2.849 -0.288 1.00 0.00 C ATOM 867 C TYR A 59 -11.759 2.154 1.030 1.00 0.00 C ATOM 868 O TYR A 59 -10.899 1.514 1.636 1.00 0.00 O ATOM 869 CB TYR A 59 -10.799 4.214 -0.015 1.00 0.00 C ATOM 870 CG TYR A 59 -9.928 4.714 -1.144 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.830 3.981 -1.578 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.203 5.920 -1.778 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.031 4.435 -2.609 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.409 6.381 -2.811 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.324 5.635 -3.223 1.00 0.00 C ATOM 876 OH TYR A 59 -7.531 6.090 -4.251 1.00 0.00 O ATOM 0 H TYR A 59 -13.187 3.827 -0.888 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.724 2.231 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.589 4.941 0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.201 4.152 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.598 3.040 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.051 6.507 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.181 3.853 -2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.637 7.320 -3.293 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.070 6.908 -3.971 1.00 0.00 H new ATOM 886 N ILE A 60 -13.007 2.284 1.467 1.00 0.00 N ATOM 887 CA ILE A 60 -13.448 1.667 2.712 1.00 0.00 C ATOM 888 C ILE A 60 -13.969 0.255 2.472 1.00 0.00 C ATOM 889 O ILE A 60 -13.684 -0.665 3.240 1.00 0.00 O ATOM 890 CB ILE A 60 -14.549 2.500 3.394 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.047 3.918 3.674 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.001 1.828 4.682 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.121 4.848 4.194 1.00 0.00 C ATOM 0 H ILE A 60 -13.730 2.811 0.978 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.578 1.624 3.368 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.404 2.564 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.236 3.871 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.630 4.335 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.779 2.429 5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.394 0.837 4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.154 1.736 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.693 5.835 4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.922 4.926 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.522 4.454 5.128 1.00 0.00 H new ATOM 905 N THR A 61 -14.736 0.087 1.398 1.00 0.00 N ATOM 906 CA THR A 61 -15.297 -1.213 1.055 1.00 0.00 C ATOM 907 C THR A 61 -14.197 -2.231 0.777 1.00 0.00 C ATOM 908 O THR A 61 -14.369 -3.427 1.012 1.00 0.00 O ATOM 909 CB THR A 61 -16.218 -1.120 -0.177 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.980 0.092 -0.128 1.00 0.00 O ATOM 911 CG2 THR A 61 -17.158 -2.314 -0.241 1.00 0.00 C ATOM 0 H THR A 61 -14.982 0.836 0.751 1.00 0.00 H new ATOM 0 HA THR A 61 -15.883 -1.541 1.914 1.00 0.00 H new ATOM 0 HB THR A 61 -15.594 -1.121 -1.071 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.484 0.809 -0.576 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.798 -2.226 -1.119 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.575 -3.233 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.775 -2.340 0.657 1.00 0.00 H new ATOM 919 N LYS A 62 -13.065 -1.749 0.275 1.00 0.00 N ATOM 920 CA LYS A 62 -11.934 -2.616 -0.034 1.00 0.00 C ATOM 921 C LYS A 62 -11.338 -3.208 1.240 1.00 0.00 C ATOM 922 O LYS A 62 -10.981 -4.384 1.281 1.00 0.00 O ATOM 923 CB LYS A 62 -10.861 -1.837 -0.797 1.00 0.00 C ATOM 924 CG LYS A 62 -9.671 -2.686 -1.211 1.00 0.00 C ATOM 925 CD LYS A 62 -8.516 -1.828 -1.699 1.00 0.00 C ATOM 926 CE LYS A 62 -7.178 -2.516 -1.478 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.160 -2.083 -2.475 1.00 0.00 N ATOM 0 H LYS A 62 -12.906 -0.762 0.073 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.295 -3.433 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.309 -1.395 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.510 -1.014 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.344 -3.292 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.972 -3.375 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.645 -1.612 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.525 -0.872 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.818 -2.296 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.310 -3.596 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.262 -2.574 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.491 -2.316 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.014 -1.056 -2.399 1.00 0.00 H new ATOM 941 N ALA A 63 -11.236 -2.384 2.278 1.00 0.00 N ATOM 942 CA ALA A 63 -10.687 -2.827 3.554 1.00 0.00 C ATOM 943 C ALA A 63 -11.604 -3.846 4.222 1.00 0.00 C ATOM 944 O ALA A 63 -11.141 -4.744 4.924 1.00 0.00 O ATOM 945 CB ALA A 63 -10.460 -1.636 4.473 1.00 0.00 C ATOM 0 H ALA A 63 -11.526 -1.406 2.260 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.729 -3.311 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.050 -1.982 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.759 -0.944 4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.408 -1.128 4.651 1.00 0.00 H new ATOM 951 N ALA A 64 -12.906 -3.699 3.998 1.00 0.00 N ATOM 952 CA ALA A 64 -13.887 -4.608 4.578 1.00 0.00 C ATOM 953 C ALA A 64 -13.535 -6.061 4.276 1.00 0.00 C ATOM 954 O ALA A 64 -13.659 -6.932 5.137 1.00 0.00 O ATOM 955 CB ALA A 64 -15.280 -4.281 4.059 1.00 0.00 C ATOM 0 H ALA A 64 -13.305 -2.960 3.420 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.874 -4.476 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.003 -4.967 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.539 -3.258 4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.297 -4.384 2.974 1.00 0.00 H new ATOM 961 N LYS A 65 -13.097 -6.316 3.048 1.00 0.00 N ATOM 962 CA LYS A 65 -12.727 -7.663 2.631 1.00 0.00 C ATOM 963 C LYS A 65 -11.492 -8.146 3.385 1.00 0.00 C ATOM 964 O LYS A 65 -11.429 -9.295 3.825 1.00 0.00 O ATOM 965 CB LYS A 65 -12.464 -7.699 1.124 1.00 0.00 C ATOM 966 CG LYS A 65 -13.706 -7.458 0.284 1.00 0.00 C ATOM 967 CD LYS A 65 -14.209 -6.031 0.430 1.00 0.00 C ATOM 968 CE LYS A 65 -15.017 -5.599 -0.784 1.00 0.00 C ATOM 969 NZ LYS A 65 -16.331 -6.297 -0.853 1.00 0.00 N ATOM 0 H LYS A 65 -12.989 -5.606 2.323 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.557 -8.329 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.716 -6.946 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.040 -8.668 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.483 -7.661 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.490 -8.154 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.825 -5.951 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.363 -5.357 0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.180 -4.522 -0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.448 -5.805 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.851 -5.975 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.176 -7.324 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.884 -6.080 0.000 1.00 0.00 H new ATOM 983 N LEU A 66 -10.512 -7.261 3.533 1.00 0.00 N ATOM 984 CA LEU A 66 -9.278 -7.596 4.236 1.00 0.00 C ATOM 985 C LEU A 66 -9.573 -8.088 5.649 1.00 0.00 C ATOM 986 O LEU A 66 -8.921 -9.007 6.147 1.00 0.00 O ATOM 987 CB LEU A 66 -8.352 -6.380 4.290 1.00 0.00 C ATOM 988 CG LEU A 66 -7.375 -6.227 3.124 1.00 0.00 C ATOM 989 CD1 LEU A 66 -6.770 -4.832 3.114 1.00 0.00 C ATOM 990 CD2 LEU A 66 -6.283 -7.284 3.201 1.00 0.00 C ATOM 0 H LEU A 66 -10.548 -6.306 3.176 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.783 -8.398 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.968 -5.482 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.778 -6.427 5.215 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.925 -6.369 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.077 -4.742 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.563 -4.092 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.235 -4.661 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.597 -7.160 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.736 -7.174 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.733 -8.276 3.158 1.00 0.00 H new ATOM 1002 N LYS A 67 -10.561 -7.473 6.290 1.00 0.00 N ATOM 1003 CA LYS A 67 -10.946 -7.850 7.645 1.00 0.00 C ATOM 1004 C LYS A 67 -11.270 -9.339 7.724 1.00 0.00 C ATOM 1005 O LYS A 67 -10.844 -10.027 8.651 1.00 0.00 O ATOM 1006 CB LYS A 67 -12.155 -7.029 8.101 1.00 0.00 C ATOM 1007 CG LYS A 67 -12.632 -7.375 9.501 1.00 0.00 C ATOM 1008 CD LYS A 67 -14.004 -6.786 9.783 1.00 0.00 C ATOM 1009 CE LYS A 67 -14.454 -7.079 11.206 1.00 0.00 C ATOM 1010 NZ LYS A 67 -13.943 -6.066 12.170 1.00 0.00 N ATOM 0 H LYS A 67 -11.110 -6.711 5.893 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.104 -7.644 8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.899 -5.970 8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.974 -7.183 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.669 -8.458 9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.917 -7.001 10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.978 -5.708 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.729 -7.196 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.543 -7.100 11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.105 -8.069 11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.272 -6.302 13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.903 -6.063 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.297 -5.125 11.904 1.00 0.00 H new ATOM 1024 N GLU A 68 -12.026 -9.828 6.746 1.00 0.00 N ATOM 1025 CA GLU A 68 -12.406 -11.235 6.707 1.00 0.00 C ATOM 1026 C GLU A 68 -11.175 -12.133 6.785 1.00 0.00 C ATOM 1027 O GLU A 68 -11.161 -13.125 7.515 1.00 0.00 O ATOM 1028 CB GLU A 68 -13.192 -11.539 5.429 1.00 0.00 C ATOM 1029 CG GLU A 68 -14.662 -11.166 5.516 1.00 0.00 C ATOM 1030 CD GLU A 68 -15.496 -12.233 6.199 1.00 0.00 C ATOM 1031 OE1 GLU A 68 -15.879 -13.209 5.520 1.00 0.00 O ATOM 1032 OE2 GLU A 68 -15.764 -12.093 7.410 1.00 0.00 O ATOM 0 H GLU A 68 -12.387 -9.271 5.971 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.038 -11.438 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.738 -11.001 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.108 -12.602 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.763 -10.227 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.050 -10.995 4.512 1.00 0.00 H new ATOM 1039 N LYS A 69 -10.143 -11.780 6.027 1.00 0.00 N ATOM 1040 CA LYS A 69 -8.906 -12.551 6.009 1.00 0.00 C ATOM 1041 C LYS A 69 -8.238 -12.541 7.381 1.00 0.00 C ATOM 1042 O LYS A 69 -7.721 -13.561 7.838 1.00 0.00 O ATOM 1043 CB LYS A 69 -7.945 -11.990 4.959 1.00 0.00 C ATOM 1044 CG LYS A 69 -8.513 -11.995 3.550 1.00 0.00 C ATOM 1045 CD LYS A 69 -8.244 -13.313 2.845 1.00 0.00 C ATOM 1046 CE LYS A 69 -9.120 -13.475 1.613 1.00 0.00 C ATOM 1047 NZ LYS A 69 -8.531 -14.432 0.635 1.00 0.00 N ATOM 0 H LYS A 69 -10.139 -10.963 5.416 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.154 -13.581 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.679 -10.968 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.024 -12.573 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.587 -11.815 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.074 -11.179 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.194 -13.364 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.426 -14.139 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.108 -13.825 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.257 -12.505 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.158 -14.515 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.599 -14.086 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.424 -15.364 1.083 1.00 0.00 H new ATOM 1061 N TYR A 70 -8.256 -11.384 8.034 1.00 0.00 N ATOM 1062 CA TYR A 70 -7.651 -11.242 9.353 1.00 0.00 C ATOM 1063 C TYR A 70 -8.402 -12.074 10.388 1.00 0.00 C ATOM 1064 O TYR A 70 -7.849 -13.008 10.969 1.00 0.00 O ATOM 1065 CB TYR A 70 -7.639 -9.772 9.775 1.00 0.00 C ATOM 1066 CG TYR A 70 -7.232 -9.559 11.216 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -5.913 -9.732 11.618 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -8.165 -9.186 12.174 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -5.536 -9.540 12.933 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -7.798 -8.990 13.491 1.00 0.00 C ATOM 1071 CZ TYR A 70 -6.482 -9.168 13.866 1.00 0.00 C ATOM 1072 OH TYR A 70 -6.112 -8.975 15.177 1.00 0.00 O ATOM 0 H TYR A 70 -8.683 -10.531 7.672 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.625 -11.605 9.296 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.955 -9.223 9.128 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.632 -9.350 9.621 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.170 -10.022 10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.196 -9.047 11.884 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.507 -9.680 13.229 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.537 -8.699 14.223 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.897 -8.715 15.704 1.00 0.00 H new ATOM 1082 N GLU A 71 -9.665 -11.727 10.614 1.00 0.00 N ATOM 1083 CA GLU A 71 -10.492 -12.441 11.579 1.00 0.00 C ATOM 1084 C GLU A 71 -10.200 -13.939 11.543 1.00 0.00 C ATOM 1085 O GLU A 71 -10.233 -14.615 12.572 1.00 0.00 O ATOM 1086 CB GLU A 71 -11.975 -12.192 11.297 1.00 0.00 C ATOM 1087 CG GLU A 71 -12.445 -10.803 11.693 1.00 0.00 C ATOM 1088 CD GLU A 71 -13.956 -10.700 11.776 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -14.587 -10.387 10.745 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -14.506 -10.933 12.872 1.00 0.00 O ATOM 0 H GLU A 71 -10.138 -10.956 10.142 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.251 -12.065 12.573 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.164 -12.341 10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.568 -12.933 11.833 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.013 -10.539 12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.074 -10.078 10.969 1.00 0.00 H new ATOM 1097 N LYS A 72 -9.915 -14.451 10.351 1.00 0.00 N ATOM 1098 CA LYS A 72 -9.617 -15.868 10.178 1.00 0.00 C ATOM 1099 C LYS A 72 -8.216 -16.195 10.686 1.00 0.00 C ATOM 1100 O LYS A 72 -8.056 -16.926 11.664 1.00 0.00 O ATOM 1101 CB LYS A 72 -9.740 -16.260 8.704 1.00 0.00 C ATOM 1102 CG LYS A 72 -9.245 -17.664 8.404 1.00 0.00 C ATOM 1103 CD LYS A 72 -9.637 -18.107 7.005 1.00 0.00 C ATOM 1104 CE LYS A 72 -8.573 -17.736 5.983 1.00 0.00 C ATOM 1105 NZ LYS A 72 -9.038 -17.969 4.588 1.00 0.00 N ATOM 0 H LYS A 72 -9.884 -13.906 9.490 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.339 -16.439 10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.784 -16.180 8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.177 -15.549 8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.160 -17.698 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.656 -18.360 9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.793 -19.186 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.585 -17.645 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.302 -16.687 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.672 -18.321 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.284 -17.704 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.272 -18.975 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.883 -17.391 4.403 1.00 0.00 H new ATOM 1119 N ASP A 73 -7.207 -15.648 10.018 1.00 0.00 N ATOM 1120 CA ASP A 73 -5.820 -15.880 10.405 1.00 0.00 C ATOM 1121 C ASP A 73 -5.636 -15.695 11.908 1.00 0.00 C ATOM 1122 O ASP A 73 -4.771 -16.322 12.520 1.00 0.00 O ATOM 1123 CB ASP A 73 -4.891 -14.932 9.644 1.00 0.00 C ATOM 1124 CG ASP A 73 -3.518 -15.531 9.410 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -3.437 -16.594 8.759 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -2.525 -14.936 9.877 1.00 0.00 O ATOM 0 H ASP A 73 -7.323 -15.041 9.206 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.565 -16.909 10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.342 -14.679 8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.788 -14.002 10.203 1.00 0.00 H new ATOM 1131 N VAL A 74 -6.455 -14.829 12.497 1.00 0.00 N ATOM 1132 CA VAL A 74 -6.383 -14.561 13.928 1.00 0.00 C ATOM 1133 C VAL A 74 -6.840 -15.770 14.737 1.00 0.00 C ATOM 1134 O VAL A 74 -6.202 -16.150 15.719 1.00 0.00 O ATOM 1135 CB VAL A 74 -7.243 -13.344 14.315 1.00 0.00 C ATOM 1136 CG1 VAL A 74 -7.115 -13.050 15.802 1.00 0.00 C ATOM 1137 CG2 VAL A 74 -6.850 -12.130 13.488 1.00 0.00 C ATOM 0 H VAL A 74 -7.176 -14.301 12.005 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.339 -14.347 14.158 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.287 -13.577 14.104 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.730 -12.187 16.056 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.450 -13.915 16.374 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.073 -12.837 16.042 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.468 -11.279 13.775 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.801 -11.893 13.666 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.999 -12.347 12.430 1.00 0.00 H new ATOM 1147 N ALA A 75 -7.948 -16.371 14.318 1.00 0.00 N ATOM 1148 CA ALA A 75 -8.489 -17.539 15.001 1.00 0.00 C ATOM 1149 C ALA A 75 -7.619 -18.768 14.762 1.00 0.00 C ATOM 1150 O ALA A 75 -7.331 -19.527 15.687 1.00 0.00 O ATOM 1151 CB ALA A 75 -9.916 -17.804 14.545 1.00 0.00 C ATOM 0 H ALA A 75 -8.489 -16.068 13.508 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.494 -17.332 16.071 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.307 -18.679 15.064 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.538 -16.939 14.774 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.927 -17.984 13.470 1.00 0.00 H new ATOM 1157 N ASP A 76 -7.203 -18.959 13.514 1.00 0.00 N ATOM 1158 CA ASP A 76 -6.364 -20.096 13.153 1.00 0.00 C ATOM 1159 C ASP A 76 -5.058 -20.080 13.941 1.00 0.00 C ATOM 1160 O ASP A 76 -4.368 -21.095 14.038 1.00 0.00 O ATOM 1161 CB ASP A 76 -6.069 -20.082 11.653 1.00 0.00 C ATOM 1162 CG ASP A 76 -7.276 -20.472 10.822 1.00 0.00 C ATOM 1163 OD1 ASP A 76 -7.955 -21.455 11.186 1.00 0.00 O ATOM 1164 OD2 ASP A 76 -7.542 -19.793 9.808 1.00 0.00 O ATOM 0 H ASP A 76 -7.433 -18.341 12.736 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.905 -21.009 13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.736 -19.086 11.360 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.248 -20.767 11.441 1.00 0.00 H new ATOM 1169 N TYR A 77 -4.726 -18.923 14.502 1.00 0.00 N ATOM 1170 CA TYR A 77 -3.501 -18.774 15.279 1.00 0.00 C ATOM 1171 C TYR A 77 -3.581 -19.566 16.580 1.00 0.00 C ATOM 1172 O TYR A 77 -2.562 -19.980 17.133 1.00 0.00 O ATOM 1173 CB TYR A 77 -3.241 -17.298 15.582 1.00 0.00 C ATOM 1174 CG TYR A 77 -2.068 -17.067 16.508 1.00 0.00 C ATOM 1175 CD1 TYR A 77 -0.990 -17.944 16.527 1.00 0.00 C ATOM 1176 CD2 TYR A 77 -2.037 -15.974 17.365 1.00 0.00 C ATOM 1177 CE1 TYR A 77 0.084 -17.738 17.371 1.00 0.00 C ATOM 1178 CE2 TYR A 77 -0.967 -15.759 18.211 1.00 0.00 C ATOM 1179 CZ TYR A 77 0.091 -16.644 18.211 1.00 0.00 C ATOM 1180 OH TYR A 77 1.158 -16.435 19.054 1.00 0.00 O ATOM 0 H TYR A 77 -5.288 -18.074 14.433 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.675 -19.167 14.686 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.063 -16.769 14.645 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.136 -16.864 16.028 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.992 -18.802 15.870 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.865 -15.280 17.370 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.913 -18.430 17.373 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.959 -14.903 18.869 1.00 0.00 H new ATOM 0 HH TYR A 77 1.007 -15.621 19.578 1.00 0.00 H new ATOM 1190 N LYS A 78 -4.801 -19.774 17.064 1.00 0.00 N ATOM 1191 CA LYS A 78 -5.018 -20.517 18.299 1.00 0.00 C ATOM 1192 C LYS A 78 -5.593 -21.900 18.008 1.00 0.00 C ATOM 1193 O LYS A 78 -5.167 -22.896 18.592 1.00 0.00 O ATOM 1194 CB LYS A 78 -5.962 -19.746 19.224 1.00 0.00 C ATOM 1195 CG LYS A 78 -5.384 -18.433 19.725 1.00 0.00 C ATOM 1196 CD LYS A 78 -4.349 -18.660 20.814 1.00 0.00 C ATOM 1197 CE LYS A 78 -3.908 -17.348 21.445 1.00 0.00 C ATOM 1198 NZ LYS A 78 -2.634 -17.497 22.202 1.00 0.00 N ATOM 0 H LYS A 78 -5.655 -19.438 16.619 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.054 -20.639 18.793 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.893 -19.545 18.694 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.212 -20.373 20.080 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.928 -17.895 18.894 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.187 -17.804 20.110 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.764 -19.313 21.582 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.483 -19.172 20.394 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.782 -16.595 20.667 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.688 -16.987 22.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.367 -16.581 22.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.761 -18.197 22.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.883 -17.817 21.558 1.00 0.00 H new ATOM 1212 N SER A 79 -6.563 -21.953 17.100 1.00 0.00 N ATOM 1213 CA SER A 79 -7.198 -23.214 16.733 1.00 0.00 C ATOM 1214 C SER A 79 -6.878 -23.582 15.287 1.00 0.00 C ATOM 1215 O SER A 79 -7.644 -23.276 14.372 1.00 0.00 O ATOM 1216 CB SER A 79 -8.713 -23.121 16.925 1.00 0.00 C ATOM 1217 OG SER A 79 -9.331 -24.378 16.713 1.00 0.00 O ATOM 0 H SER A 79 -6.926 -21.138 16.605 1.00 0.00 H new ATOM 0 HA SER A 79 -6.804 -23.995 17.384 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.934 -22.769 17.932 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.126 -22.387 16.233 1.00 0.00 H new ATOM 0 HG SER A 79 -10.299 -24.293 16.843 1.00 0.00 H new ATOM 1223 N LYS A 80 -5.742 -24.241 15.088 1.00 0.00 N ATOM 1224 CA LYS A 80 -5.319 -24.653 13.755 1.00 0.00 C ATOM 1225 C LYS A 80 -6.181 -25.802 13.242 1.00 0.00 C ATOM 1226 O LYS A 80 -6.071 -26.932 13.715 1.00 0.00 O ATOM 1227 CB LYS A 80 -3.848 -25.073 13.771 1.00 0.00 C ATOM 1228 CG LYS A 80 -2.881 -23.902 13.799 1.00 0.00 C ATOM 1229 CD LYS A 80 -2.585 -23.457 15.221 1.00 0.00 C ATOM 1230 CE LYS A 80 -1.585 -22.311 15.250 1.00 0.00 C ATOM 1231 NZ LYS A 80 -0.814 -22.279 16.523 1.00 0.00 N ATOM 0 H LYS A 80 -5.097 -24.502 15.834 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.440 -23.803 13.084 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.668 -25.703 14.642 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.643 -25.682 12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.952 -24.185 13.304 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.301 -23.069 13.236 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.510 -23.146 15.706 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.193 -24.298 15.792 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.896 -22.409 14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.112 -21.366 15.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.164 -21.504 17.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.932 -23.183 17.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.194 -22.127 16.315 1.00 0.00 H new ATOM 1245 N GLY A 81 -7.038 -25.505 12.270 1.00 0.00 N ATOM 1246 CA GLY A 81 -7.905 -26.524 11.708 1.00 0.00 C ATOM 1247 C GLY A 81 -9.162 -25.942 11.094 1.00 0.00 C ATOM 1248 O GLY A 81 -10.010 -26.676 10.586 1.00 0.00 O ATOM 0 H GLY A 81 -7.147 -24.577 11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.359 -27.083 10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.181 -27.233 12.489 1.00 0.00 H new TER 1252 GLY A 81