USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1066 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 78 SER OG : rot 35:sc= 0.294 USER MOD Set 1.2: A 114 GLN : amide:sc= -0.169 K(o=0.13,f=-2.1) USER MOD Set 2.1: A 108 SER OG : rot -100:sc= 1.24 USER MOD Set 2.2: A 130 SER OG : rot 180:sc= 1.02 USER MOD Set 3.1: A 91 GLN : amide:sc= 0.695 X(o=1.5,f=1.2) USER MOD Set 3.2: A 93 THR OG1 : rot -158:sc= 0.794 USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 61 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Set 5.1: A 27 LYS NZ :NH3+ -153:sc= 1.32 (180deg=1.17) USER MOD Set 5.2: A 126 SER OG : rot 168:sc= 0.0924 USER MOD Set 6.1: A 12 SER OG : rot 150:sc= 0 USER MOD Set 6.2: A 19 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.62) USER MOD Set 6.3: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 9 TYR OH : rot 180:sc= 0.893 USER MOD Set 7.2: A 11 GLN : amide:sc= 1.04 X(o=1.9,f=1.7) USER MOD Single : A 1 ALA N :NH3+ 152:sc= 0.0111 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -110:sc= 0.897 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -170:sc= 0 USER MOD Single : A 6 THR OG1 : rot 43:sc= 0.0975 USER MOD Single : A 15 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.8!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 18 MET CE :methyl 174:sc= 0 (180deg=-0.0196) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.282 K(o=-0.28,f=-4.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -8:sc= 1.23 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 41:sc= 1.19 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 70:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.808 X(o=-0.81,f=-1.1) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.033 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 123:sc= 1.27 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.44 K(o=-0.44,f=-1.2) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc=-0.00375 USER MOD Single : A 89 LYS NZ :NH3+ -155:sc= 2.42 (180deg=1.52) USER MOD Single : A 92 THR OG1 : rot 44:sc= 0.475 USER MOD Single : A 95 TYR OH : rot 44:sc= 1.22 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0381 K(o=-0.038,f=-0.59) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 103 SER OG : rot 180:sc= 0.018 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.0895 K(o=-0.089,f=-1.5!) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.941 K(o=-0.94,f=-0.039) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.855 -24.192 -2.230 1.00 0.00 N ATOM 2 CA ALA A 1 3.896 -23.357 -2.969 1.00 0.00 C ATOM 3 C ALA A 1 2.877 -22.786 -1.999 1.00 0.00 C ATOM 4 O ALA A 1 2.337 -23.534 -1.183 1.00 0.00 O ATOM 5 CB ALA A 1 3.144 -24.160 -4.044 1.00 0.00 C ATOM 0 H1 ALA A 1 5.230 -24.930 -2.860 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.637 -23.600 -1.885 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.376 -24.638 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 1 4.460 -22.564 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.446 -23.505 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.858 -24.571 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.594 -24.974 -3.572 1.00 0.00 H new ATOM 11 N THR A 2 2.576 -21.495 -2.134 1.00 0.00 N ATOM 12 CA THR A 2 1.275 -20.932 -1.797 1.00 0.00 C ATOM 13 C THR A 2 0.860 -20.036 -2.985 1.00 0.00 C ATOM 14 O THR A 2 1.730 -19.627 -3.772 1.00 0.00 O ATOM 15 CB THR A 2 1.294 -20.212 -0.430 1.00 0.00 C ATOM 16 OG1 THR A 2 2.339 -19.263 -0.298 1.00 0.00 O ATOM 17 CG2 THR A 2 1.429 -21.174 0.751 1.00 0.00 C ATOM 0 H THR A 2 3.239 -20.804 -2.485 1.00 0.00 H new ATOM 0 HA THR A 2 0.524 -21.710 -1.661 1.00 0.00 H new ATOM 0 HB THR A 2 0.329 -19.707 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.000 -19.592 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.436 -20.608 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.587 -21.867 0.754 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.360 -21.734 0.660 1.00 0.00 H new ATOM 25 N SER A 3 -0.439 -19.772 -3.164 1.00 0.00 N ATOM 26 CA SER A 3 -0.976 -19.027 -4.303 1.00 0.00 C ATOM 27 C SER A 3 -2.154 -18.168 -3.822 1.00 0.00 C ATOM 28 O SER A 3 -3.229 -18.700 -3.537 1.00 0.00 O ATOM 29 CB SER A 3 -1.405 -19.999 -5.428 1.00 0.00 C ATOM 30 OG SER A 3 -0.628 -21.194 -5.490 1.00 0.00 O ATOM 0 H SER A 3 -1.158 -20.077 -2.508 1.00 0.00 H new ATOM 0 HA SER A 3 -0.209 -18.372 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.452 -20.266 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.336 -19.483 -6.386 1.00 0.00 H new ATOM 0 HG SER A 3 -0.955 -21.759 -6.221 1.00 0.00 H new ATOM 36 N THR A 4 -1.990 -16.847 -3.712 1.00 0.00 N ATOM 37 CA THR A 4 -2.964 -15.979 -3.045 1.00 0.00 C ATOM 38 C THR A 4 -3.209 -14.747 -3.910 1.00 0.00 C ATOM 39 O THR A 4 -2.259 -14.050 -4.285 1.00 0.00 O ATOM 40 CB THR A 4 -2.470 -15.631 -1.627 1.00 0.00 C ATOM 41 OG1 THR A 4 -2.057 -16.818 -0.973 1.00 0.00 O ATOM 42 CG2 THR A 4 -3.549 -14.947 -0.783 1.00 0.00 C ATOM 0 H THR A 4 -1.180 -16.350 -4.082 1.00 0.00 H new ATOM 0 HA THR A 4 -3.919 -16.490 -2.926 1.00 0.00 H new ATOM 0 HB THR A 4 -1.640 -14.933 -1.732 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.892 -16.629 -0.026 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.150 -14.723 0.206 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.857 -14.021 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.409 -15.609 -0.686 1.00 0.00 H new ATOM 50 N VAL A 5 -4.475 -14.483 -4.234 1.00 0.00 N ATOM 51 CA VAL A 5 -4.883 -13.506 -5.232 1.00 0.00 C ATOM 52 C VAL A 5 -5.918 -12.575 -4.609 1.00 0.00 C ATOM 53 O VAL A 5 -6.991 -13.015 -4.196 1.00 0.00 O ATOM 54 CB VAL A 5 -5.356 -14.241 -6.504 1.00 0.00 C ATOM 55 CG1 VAL A 5 -4.111 -14.625 -7.314 1.00 0.00 C ATOM 56 CG2 VAL A 5 -6.248 -15.481 -6.250 1.00 0.00 C ATOM 0 H VAL A 5 -5.263 -14.958 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.054 -12.874 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.002 -13.556 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.414 -15.147 -8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.559 -13.724 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.474 -15.277 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.529 -15.928 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.697 -16.210 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.147 -15.179 -5.712 1.00 0.00 H new ATOM 66 N THR A 6 -5.554 -11.306 -4.433 1.00 0.00 N ATOM 67 CA THR A 6 -6.289 -10.356 -3.608 1.00 0.00 C ATOM 68 C THR A 6 -6.117 -8.949 -4.188 1.00 0.00 C ATOM 69 O THR A 6 -4.978 -8.479 -4.304 1.00 0.00 O ATOM 70 CB THR A 6 -5.759 -10.426 -2.159 1.00 0.00 C ATOM 71 OG1 THR A 6 -4.337 -10.452 -2.164 1.00 0.00 O ATOM 72 CG2 THR A 6 -6.269 -11.655 -1.397 1.00 0.00 C ATOM 0 H THR A 6 -4.724 -10.904 -4.869 1.00 0.00 H new ATOM 0 HA THR A 6 -7.351 -10.601 -3.601 1.00 0.00 H new ATOM 0 HB THR A 6 -6.131 -9.537 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.000 -9.801 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.863 -11.650 -0.385 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.358 -11.629 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.949 -12.561 -1.912 1.00 0.00 H new ATOM 80 N GLY A 7 -7.222 -8.268 -4.505 1.00 0.00 N ATOM 81 CA GLY A 7 -7.241 -6.900 -4.996 1.00 0.00 C ATOM 82 C GLY A 7 -8.524 -6.179 -4.591 1.00 0.00 C ATOM 83 O GLY A 7 -9.537 -6.804 -4.258 1.00 0.00 O ATOM 0 H GLY A 7 -8.155 -8.673 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.379 -6.360 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.150 -6.901 -6.082 1.00 0.00 H new ATOM 87 N GLY A 8 -8.493 -4.851 -4.580 1.00 0.00 N ATOM 88 CA GLY A 8 -9.532 -4.033 -3.982 1.00 0.00 C ATOM 89 C GLY A 8 -9.114 -2.578 -3.993 1.00 0.00 C ATOM 90 O GLY A 8 -8.583 -2.113 -4.998 1.00 0.00 O ATOM 0 H GLY A 8 -7.734 -4.309 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.465 -4.156 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.719 -4.359 -2.959 1.00 0.00 H new ATOM 94 N TYR A 9 -9.387 -1.849 -2.915 1.00 0.00 N ATOM 95 CA TYR A 9 -9.297 -0.398 -2.899 1.00 0.00 C ATOM 96 C TYR A 9 -8.940 0.113 -1.502 1.00 0.00 C ATOM 97 O TYR A 9 -9.267 -0.523 -0.487 1.00 0.00 O ATOM 98 CB TYR A 9 -10.641 0.153 -3.404 1.00 0.00 C ATOM 99 CG TYR A 9 -10.988 1.569 -2.995 1.00 0.00 C ATOM 100 CD1 TYR A 9 -11.621 1.786 -1.757 1.00 0.00 C ATOM 101 CD2 TYR A 9 -10.692 2.656 -3.840 1.00 0.00 C ATOM 102 CE1 TYR A 9 -11.953 3.086 -1.355 1.00 0.00 C ATOM 103 CE2 TYR A 9 -11.022 3.963 -3.444 1.00 0.00 C ATOM 104 CZ TYR A 9 -11.648 4.178 -2.196 1.00 0.00 C ATOM 105 OH TYR A 9 -12.006 5.429 -1.809 1.00 0.00 O ATOM 0 H TYR A 9 -9.678 -2.253 -2.025 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.497 -0.050 -3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.643 0.102 -4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -11.434 -0.507 -3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -11.851 0.948 -1.115 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.212 2.485 -4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.440 3.252 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.798 4.799 -4.090 1.00 0.00 H new ATOM 0 HH TYR A 9 -11.727 6.075 -2.491 1.00 0.00 H new ATOM 115 N ALA A 10 -8.334 1.306 -1.479 1.00 0.00 N ATOM 116 CA ALA A 10 -7.995 2.033 -0.267 1.00 0.00 C ATOM 117 C ALA A 10 -8.352 3.511 -0.397 1.00 0.00 C ATOM 118 O ALA A 10 -8.471 4.042 -1.502 1.00 0.00 O ATOM 119 CB ALA A 10 -6.505 1.874 0.018 1.00 0.00 C ATOM 0 H ALA A 10 -8.062 1.799 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.572 1.621 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.248 2.418 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.270 0.818 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.930 2.272 -0.818 1.00 0.00 H new ATOM 125 N GLN A 11 -8.476 4.187 0.745 1.00 0.00 N ATOM 126 CA GLN A 11 -8.985 5.545 0.855 1.00 0.00 C ATOM 127 C GLN A 11 -8.011 6.306 1.754 1.00 0.00 C ATOM 128 O GLN A 11 -7.845 5.951 2.918 1.00 0.00 O ATOM 129 CB GLN A 11 -10.421 5.463 1.408 1.00 0.00 C ATOM 130 CG GLN A 11 -11.310 6.689 1.162 1.00 0.00 C ATOM 131 CD GLN A 11 -12.766 6.353 1.492 1.00 0.00 C ATOM 132 OE1 GLN A 11 -13.276 6.629 2.572 1.00 0.00 O ATOM 133 NE2 GLN A 11 -13.485 5.711 0.583 1.00 0.00 N ATOM 0 H GLN A 11 -8.215 3.787 1.646 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.045 6.078 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.908 4.592 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.365 5.290 2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.972 7.523 1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.228 7.006 0.122 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.073 5.475 -0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.451 5.453 0.786 1.00 0.00 H new ATOM 142 N SER A 12 -7.314 7.296 1.198 1.00 0.00 N ATOM 143 CA SER A 12 -6.304 8.073 1.903 1.00 0.00 C ATOM 144 C SER A 12 -6.988 9.209 2.657 1.00 0.00 C ATOM 145 O SER A 12 -7.964 9.782 2.170 1.00 0.00 O ATOM 146 CB SER A 12 -5.304 8.620 0.885 1.00 0.00 C ATOM 147 OG SER A 12 -4.202 9.263 1.486 1.00 0.00 O ATOM 0 H SER A 12 -7.440 7.583 0.227 1.00 0.00 H new ATOM 0 HA SER A 12 -5.770 7.450 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.944 7.802 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.813 9.323 0.226 1.00 0.00 H new ATOM 0 HG SER A 12 -3.414 9.166 0.912 1.00 0.00 H new ATOM 153 N ASP A 13 -6.478 9.547 3.833 1.00 0.00 N ATOM 154 CA ASP A 13 -7.041 10.502 4.774 1.00 0.00 C ATOM 155 C ASP A 13 -5.923 11.356 5.356 1.00 0.00 C ATOM 156 O ASP A 13 -5.012 10.824 5.986 1.00 0.00 O ATOM 157 CB ASP A 13 -7.804 9.760 5.879 1.00 0.00 C ATOM 158 CG ASP A 13 -9.067 10.516 6.235 1.00 0.00 C ATOM 159 OD1 ASP A 13 -9.009 11.729 6.509 1.00 0.00 O ATOM 160 OD2 ASP A 13 -10.145 9.884 6.140 1.00 0.00 O ATOM 0 H ASP A 13 -5.609 9.137 4.175 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.745 11.156 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.055 8.753 5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.172 9.655 6.761 1.00 0.00 H new ATOM 165 N ALA A 14 -5.966 12.671 5.155 1.00 0.00 N ATOM 166 CA ALA A 14 -5.023 13.626 5.728 1.00 0.00 C ATOM 167 C ALA A 14 -5.413 13.978 7.163 1.00 0.00 C ATOM 168 O ALA A 14 -6.532 13.705 7.593 1.00 0.00 O ATOM 169 CB ALA A 14 -4.976 14.894 4.863 1.00 0.00 C ATOM 0 H ALA A 14 -6.678 13.113 4.573 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.033 13.170 5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.270 15.603 5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.657 14.634 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.967 15.346 4.825 1.00 0.00 H new ATOM 175 N GLN A 15 -4.488 14.615 7.885 1.00 0.00 N ATOM 176 CA GLN A 15 -4.642 15.260 9.188 1.00 0.00 C ATOM 177 C GLN A 15 -5.965 16.037 9.408 1.00 0.00 C ATOM 178 O GLN A 15 -6.344 16.233 10.566 1.00 0.00 O ATOM 179 CB GLN A 15 -3.374 16.121 9.374 1.00 0.00 C ATOM 180 CG GLN A 15 -3.382 17.176 10.495 1.00 0.00 C ATOM 181 CD GLN A 15 -3.890 18.547 10.044 1.00 0.00 C ATOM 182 OE1 GLN A 15 -4.022 18.837 8.851 1.00 0.00 O ATOM 183 NE2 GLN A 15 -4.146 19.441 10.978 1.00 0.00 N ATOM 0 H GLN A 15 -3.531 14.699 7.542 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.732 14.499 9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.535 15.448 9.553 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.176 16.634 8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.006 16.818 11.314 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.371 17.284 10.888 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.035 19.196 11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.455 20.377 10.717 1.00 0.00 H new ATOM 192 N GLY A 16 -6.691 16.440 8.359 1.00 0.00 N ATOM 193 CA GLY A 16 -8.058 16.938 8.467 1.00 0.00 C ATOM 194 C GLY A 16 -8.870 16.544 7.240 1.00 0.00 C ATOM 195 O GLY A 16 -9.170 15.366 7.059 1.00 0.00 O ATOM 0 H GLY A 16 -6.338 16.428 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.527 16.536 9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.049 18.023 8.571 1.00 0.00 H new ATOM 199 N GLN A 17 -9.209 17.491 6.365 1.00 0.00 N ATOM 200 CA GLN A 17 -10.077 17.255 5.209 1.00 0.00 C ATOM 201 C GLN A 17 -9.554 18.045 4.017 1.00 0.00 C ATOM 202 O GLN A 17 -9.764 19.258 3.920 1.00 0.00 O ATOM 203 CB GLN A 17 -11.546 17.611 5.514 1.00 0.00 C ATOM 204 CG GLN A 17 -12.315 16.449 6.169 1.00 0.00 C ATOM 205 CD GLN A 17 -13.804 16.757 6.355 1.00 0.00 C ATOM 206 OE1 GLN A 17 -14.398 17.546 5.626 1.00 0.00 O ATOM 207 NE2 GLN A 17 -14.468 16.108 7.292 1.00 0.00 N ATOM 0 H GLN A 17 -8.885 18.455 6.439 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.058 16.192 4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.576 18.479 6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.046 17.896 4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.207 15.555 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.870 16.225 7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.980 15.451 7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.469 16.263 7.408 1.00 0.00 H new ATOM 216 N MET A 18 -8.867 17.365 3.095 1.00 0.00 N ATOM 217 CA MET A 18 -8.324 17.984 1.899 1.00 0.00 C ATOM 218 C MET A 18 -8.721 17.164 0.680 1.00 0.00 C ATOM 219 O MET A 18 -9.602 17.586 -0.070 1.00 0.00 O ATOM 220 CB MET A 18 -6.810 18.194 2.054 1.00 0.00 C ATOM 221 CG MET A 18 -6.526 19.209 3.168 1.00 0.00 C ATOM 222 SD MET A 18 -4.880 19.952 3.125 1.00 0.00 S ATOM 223 CE MET A 18 -5.084 21.116 1.755 1.00 0.00 C ATOM 0 H MET A 18 -8.675 16.366 3.164 1.00 0.00 H new ATOM 0 HA MET A 18 -8.745 18.978 1.751 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.326 17.245 2.285 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.387 18.547 1.114 1.00 0.00 H new ATOM 0 HG2 MET A 18 -7.269 20.005 3.111 1.00 0.00 H new ATOM 0 HG3 MET A 18 -6.660 18.716 4.131 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.190 21.733 1.665 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.238 20.564 0.828 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.947 21.754 1.945 1.00 0.00 H new ATOM 233 N ASN A 19 -8.085 16.010 0.465 1.00 0.00 N ATOM 234 CA ASN A 19 -8.160 15.295 -0.800 1.00 0.00 C ATOM 235 C ASN A 19 -8.085 13.790 -0.540 1.00 0.00 C ATOM 236 O ASN A 19 -7.011 13.257 -0.268 1.00 0.00 O ATOM 237 CB ASN A 19 -7.069 15.825 -1.753 1.00 0.00 C ATOM 238 CG ASN A 19 -5.650 15.348 -1.499 1.00 0.00 C ATOM 239 OD1 ASN A 19 -5.076 14.642 -2.329 1.00 0.00 O ATOM 240 ND2 ASN A 19 -5.060 15.748 -0.387 1.00 0.00 N ATOM 0 H ASN A 19 -7.505 15.549 1.166 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.114 15.471 -1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.343 15.549 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.075 16.914 -1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.097 15.473 -0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.567 16.332 0.278 1.00 0.00 H new ATOM 247 N LYS A 20 -9.216 13.082 -0.524 1.00 0.00 N ATOM 248 CA LYS A 20 -9.176 11.636 -0.314 1.00 0.00 C ATOM 249 C LYS A 20 -8.771 11.033 -1.645 1.00 0.00 C ATOM 250 O LYS A 20 -9.309 11.437 -2.675 1.00 0.00 O ATOM 251 CB LYS A 20 -10.489 11.091 0.264 1.00 0.00 C ATOM 252 CG LYS A 20 -11.673 11.007 -0.709 1.00 0.00 C ATOM 253 CD LYS A 20 -12.961 10.733 0.072 1.00 0.00 C ATOM 254 CE LYS A 20 -14.114 10.432 -0.885 1.00 0.00 C ATOM 255 NZ LYS A 20 -15.421 10.506 -0.203 1.00 0.00 N ATOM 0 H LYS A 20 -10.149 13.475 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.448 11.357 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.301 10.094 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.780 11.720 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.765 11.939 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.502 10.215 -1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.812 9.890 0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.209 11.596 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.095 11.141 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.982 9.438 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.180 10.296 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.448 9.812 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.557 11.462 0.184 1.00 0.00 H new ATOM 269 N MET A 21 -7.805 10.124 -1.646 1.00 0.00 N ATOM 270 CA MET A 21 -7.267 9.559 -2.869 1.00 0.00 C ATOM 271 C MET A 21 -7.159 8.050 -2.731 1.00 0.00 C ATOM 272 O MET A 21 -6.978 7.529 -1.628 1.00 0.00 O ATOM 273 CB MET A 21 -5.958 10.270 -3.256 1.00 0.00 C ATOM 274 CG MET A 21 -4.681 9.618 -2.705 1.00 0.00 C ATOM 275 SD MET A 21 -3.203 10.663 -2.845 1.00 0.00 S ATOM 276 CE MET A 21 -3.430 11.629 -1.328 1.00 0.00 C ATOM 0 H MET A 21 -7.374 9.760 -0.796 1.00 0.00 H new ATOM 0 HA MET A 21 -7.943 9.733 -3.706 1.00 0.00 H new ATOM 0 HB2 MET A 21 -5.889 10.307 -4.343 1.00 0.00 H new ATOM 0 HB3 MET A 21 -6.003 11.301 -2.904 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.837 9.365 -1.656 1.00 0.00 H new ATOM 0 HG3 MET A 21 -4.504 8.682 -3.236 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.613 12.343 -1.225 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.377 12.167 -1.377 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.437 10.959 -0.468 1.00 0.00 H new ATOM 286 N GLY A 22 -7.305 7.341 -3.840 1.00 0.00 N ATOM 287 CA GLY A 22 -7.382 5.899 -3.870 1.00 0.00 C ATOM 288 C GLY A 22 -7.450 5.422 -5.304 1.00 0.00 C ATOM 289 O GLY A 22 -7.478 6.235 -6.234 1.00 0.00 O ATOM 0 H GLY A 22 -7.374 7.768 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.512 5.468 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.261 5.561 -3.322 1.00 0.00 H new ATOM 293 N GLY A 23 -7.471 4.106 -5.463 1.00 0.00 N ATOM 294 CA GLY A 23 -7.351 3.428 -6.732 1.00 0.00 C ATOM 295 C GLY A 23 -7.455 1.928 -6.481 1.00 0.00 C ATOM 296 O GLY A 23 -7.965 1.509 -5.440 1.00 0.00 O ATOM 0 H GLY A 23 -7.576 3.463 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.136 3.755 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.399 3.670 -7.204 1.00 0.00 H new ATOM 300 N PHE A 24 -7.016 1.131 -7.447 1.00 0.00 N ATOM 301 CA PHE A 24 -7.215 -0.313 -7.460 1.00 0.00 C ATOM 302 C PHE A 24 -5.925 -0.957 -6.981 1.00 0.00 C ATOM 303 O PHE A 24 -4.896 -0.852 -7.665 1.00 0.00 O ATOM 304 CB PHE A 24 -7.632 -0.800 -8.858 1.00 0.00 C ATOM 305 CG PHE A 24 -8.823 -1.735 -8.876 1.00 0.00 C ATOM 306 CD1 PHE A 24 -10.048 -1.339 -8.302 1.00 0.00 C ATOM 307 CD2 PHE A 24 -8.726 -2.976 -9.530 1.00 0.00 C ATOM 308 CE1 PHE A 24 -11.171 -2.179 -8.385 1.00 0.00 C ATOM 309 CE2 PHE A 24 -9.851 -3.809 -9.620 1.00 0.00 C ATOM 310 CZ PHE A 24 -11.073 -3.415 -9.046 1.00 0.00 C ATOM 0 H PHE A 24 -6.502 1.476 -8.258 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.029 -0.598 -6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.860 0.068 -9.477 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.784 -1.306 -9.319 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.123 -0.387 -7.797 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.787 -3.287 -9.962 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -12.108 -1.875 -7.942 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.778 -4.757 -10.132 1.00 0.00 H new ATOM 0 HZ PHE A 24 -11.935 -4.062 -9.113 1.00 0.00 H new ATOM 320 N ASN A 25 -5.947 -1.541 -5.788 1.00 0.00 N ATOM 321 CA ASN A 25 -4.794 -2.129 -5.116 1.00 0.00 C ATOM 322 C ASN A 25 -4.808 -3.618 -5.427 1.00 0.00 C ATOM 323 O ASN A 25 -5.876 -4.201 -5.625 1.00 0.00 O ATOM 324 CB ASN A 25 -4.869 -1.963 -3.586 1.00 0.00 C ATOM 325 CG ASN A 25 -5.379 -0.627 -3.052 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.153 -0.622 -2.109 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.994 0.513 -3.601 1.00 0.00 N ATOM 0 H ASN A 25 -6.804 -1.621 -5.240 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.890 -1.630 -5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.511 -2.751 -3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.872 -2.131 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.344 1.399 -3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.347 0.506 -4.389 1.00 0.00 H new ATOM 334 N LEU A 26 -3.632 -4.240 -5.457 1.00 0.00 N ATOM 335 CA LEU A 26 -3.442 -5.610 -5.920 1.00 0.00 C ATOM 336 C LEU A 26 -2.166 -6.132 -5.268 1.00 0.00 C ATOM 337 O LEU A 26 -1.220 -5.352 -5.087 1.00 0.00 O ATOM 338 CB LEU A 26 -3.317 -5.562 -7.457 1.00 0.00 C ATOM 339 CG LEU A 26 -3.720 -6.808 -8.260 1.00 0.00 C ATOM 340 CD1 LEU A 26 -2.787 -7.997 -8.077 1.00 0.00 C ATOM 341 CD2 LEU A 26 -5.156 -7.253 -7.985 1.00 0.00 C ATOM 0 H LEU A 26 -2.766 -3.795 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.269 -6.269 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.920 -4.727 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.279 -5.332 -7.699 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.639 -6.479 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.143 -8.834 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.781 -7.723 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.768 -8.286 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.383 -8.137 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.267 -7.490 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.843 -6.450 -8.251 1.00 0.00 H new ATOM 353 N LYS A 27 -2.096 -7.415 -4.916 1.00 0.00 N ATOM 354 CA LYS A 27 -0.896 -8.019 -4.348 1.00 0.00 C ATOM 355 C LYS A 27 -0.633 -9.328 -5.074 1.00 0.00 C ATOM 356 O LYS A 27 -1.575 -10.032 -5.442 1.00 0.00 O ATOM 357 CB LYS A 27 -1.085 -8.292 -2.848 1.00 0.00 C ATOM 358 CG LYS A 27 -1.078 -7.032 -1.976 1.00 0.00 C ATOM 359 CD LYS A 27 -1.286 -7.392 -0.500 1.00 0.00 C ATOM 360 CE LYS A 27 -1.080 -6.172 0.397 1.00 0.00 C ATOM 361 NZ LYS A 27 -1.177 -6.527 1.827 1.00 0.00 N ATOM 0 H LYS A 27 -2.875 -8.066 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.054 -7.338 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.029 -8.817 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.293 -8.960 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.131 -6.506 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.865 -6.353 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.292 -7.787 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.590 -8.180 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.103 -5.733 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.826 -5.414 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.488 -5.697 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.865 -7.297 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.246 -6.837 2.172 1.00 0.00 H new ATOM 375 N TYR A 28 0.641 -9.701 -5.165 1.00 0.00 N ATOM 376 CA TYR A 28 1.065 -11.012 -5.636 1.00 0.00 C ATOM 377 C TYR A 28 1.791 -11.668 -4.476 1.00 0.00 C ATOM 378 O TYR A 28 2.566 -11.010 -3.769 1.00 0.00 O ATOM 379 CB TYR A 28 1.958 -10.915 -6.887 1.00 0.00 C ATOM 380 CG TYR A 28 1.723 -12.021 -7.905 1.00 0.00 C ATOM 381 CD1 TYR A 28 2.098 -13.360 -7.656 1.00 0.00 C ATOM 382 CD2 TYR A 28 1.121 -11.697 -9.134 1.00 0.00 C ATOM 383 CE1 TYR A 28 1.848 -14.360 -8.619 1.00 0.00 C ATOM 384 CE2 TYR A 28 0.868 -12.685 -10.098 1.00 0.00 C ATOM 385 CZ TYR A 28 1.240 -14.024 -9.851 1.00 0.00 C ATOM 386 OH TYR A 28 1.052 -14.962 -10.823 1.00 0.00 O ATOM 0 H TYR A 28 1.417 -9.091 -4.909 1.00 0.00 H new ATOM 0 HA TYR A 28 0.206 -11.607 -5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.788 -9.951 -7.368 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.003 -10.937 -6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.578 -13.619 -6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.849 -10.672 -9.339 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.122 -15.385 -8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.389 -12.421 -11.029 1.00 0.00 H new ATOM 0 HH TYR A 28 0.619 -14.547 -11.598 1.00 0.00 H new ATOM 396 N ARG A 29 1.563 -12.962 -4.280 1.00 0.00 N ATOM 397 CA ARG A 29 2.195 -13.736 -3.229 1.00 0.00 C ATOM 398 C ARG A 29 2.759 -14.962 -3.908 1.00 0.00 C ATOM 399 O ARG A 29 1.982 -15.799 -4.353 1.00 0.00 O ATOM 400 CB ARG A 29 1.142 -14.068 -2.165 1.00 0.00 C ATOM 401 CG ARG A 29 1.766 -14.577 -0.859 1.00 0.00 C ATOM 402 CD ARG A 29 0.715 -14.660 0.251 1.00 0.00 C ATOM 403 NE ARG A 29 0.121 -13.356 0.572 1.00 0.00 N ATOM 404 CZ ARG A 29 -0.654 -13.072 1.621 1.00 0.00 C ATOM 405 NH1 ARG A 29 -0.954 -14.007 2.512 1.00 0.00 N ATOM 406 NH2 ARG A 29 -1.129 -11.847 1.750 1.00 0.00 N ATOM 0 H ARG A 29 0.923 -13.507 -4.858 1.00 0.00 H new ATOM 0 HA ARG A 29 2.997 -13.207 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.547 -13.178 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.460 -14.823 -2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.208 -15.560 -1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.573 -13.911 -0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.074 -15.348 -0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.173 -15.076 1.148 1.00 0.00 H new ATOM 0 HE ARG A 29 0.321 -12.590 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.592 -14.954 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.547 -13.779 3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.902 -11.136 1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.723 -11.611 2.545 1.00 0.00 H new ATOM 420 N TYR A 30 4.082 -15.037 -4.021 1.00 0.00 N ATOM 421 CA TYR A 30 4.764 -16.137 -4.675 1.00 0.00 C ATOM 422 C TYR A 30 5.596 -16.843 -3.613 1.00 0.00 C ATOM 423 O TYR A 30 6.306 -16.191 -2.842 1.00 0.00 O ATOM 424 CB TYR A 30 5.615 -15.623 -5.849 1.00 0.00 C ATOM 425 CG TYR A 30 6.041 -16.736 -6.787 1.00 0.00 C ATOM 426 CD1 TYR A 30 7.058 -17.635 -6.408 1.00 0.00 C ATOM 427 CD2 TYR A 30 5.370 -16.914 -8.012 1.00 0.00 C ATOM 428 CE1 TYR A 30 7.336 -18.758 -7.207 1.00 0.00 C ATOM 429 CE2 TYR A 30 5.671 -18.016 -8.829 1.00 0.00 C ATOM 430 CZ TYR A 30 6.618 -18.969 -8.405 1.00 0.00 C ATOM 431 OH TYR A 30 6.767 -20.105 -9.136 1.00 0.00 O ATOM 0 H TYR A 30 4.713 -14.324 -3.655 1.00 0.00 H new ATOM 0 HA TYR A 30 4.057 -16.844 -5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.047 -14.879 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.501 -15.121 -5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.623 -17.461 -5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.621 -16.201 -8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.099 -19.460 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.177 -18.133 -9.782 1.00 0.00 H new ATOM 0 HH TYR A 30 7.504 -20.636 -8.768 1.00 0.00 H new ATOM 441 N GLU A 31 5.503 -18.166 -3.571 1.00 0.00 N ATOM 442 CA GLU A 31 6.320 -19.049 -2.758 1.00 0.00 C ATOM 443 C GLU A 31 6.638 -20.277 -3.594 1.00 0.00 C ATOM 444 O GLU A 31 5.828 -20.677 -4.433 1.00 0.00 O ATOM 445 CB GLU A 31 5.541 -19.504 -1.518 1.00 0.00 C ATOM 446 CG GLU A 31 5.937 -18.736 -0.261 1.00 0.00 C ATOM 447 CD GLU A 31 5.690 -19.584 0.979 1.00 0.00 C ATOM 448 OE1 GLU A 31 4.524 -19.696 1.431 1.00 0.00 O ATOM 449 OE2 GLU A 31 6.661 -20.201 1.477 1.00 0.00 O ATOM 0 H GLU A 31 4.820 -18.675 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 31 7.224 -18.528 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.474 -19.375 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.711 -20.569 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.989 -18.456 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.364 -17.811 -0.197 1.00 0.00 H new ATOM 456 N GLU A 32 7.759 -20.927 -3.305 1.00 0.00 N ATOM 457 CA GLU A 32 8.198 -22.156 -3.942 1.00 0.00 C ATOM 458 C GLU A 32 8.829 -23.021 -2.855 1.00 0.00 C ATOM 459 O GLU A 32 9.308 -22.488 -1.853 1.00 0.00 O ATOM 460 CB GLU A 32 9.191 -21.801 -5.058 1.00 0.00 C ATOM 461 CG GLU A 32 9.293 -22.887 -6.135 1.00 0.00 C ATOM 462 CD GLU A 32 9.468 -22.267 -7.526 1.00 0.00 C ATOM 463 OE1 GLU A 32 8.457 -21.819 -8.126 1.00 0.00 O ATOM 464 OE2 GLU A 32 10.605 -22.231 -8.030 1.00 0.00 O ATOM 0 H GLU A 32 8.410 -20.597 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 32 7.378 -22.708 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.887 -20.863 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.176 -21.636 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.136 -23.543 -5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.396 -23.505 -6.119 1.00 0.00 H new ATOM 471 N ASP A 33 8.866 -24.342 -3.027 1.00 0.00 N ATOM 472 CA ASP A 33 9.427 -25.232 -1.997 1.00 0.00 C ATOM 473 C ASP A 33 10.944 -25.043 -1.906 1.00 0.00 C ATOM 474 O ASP A 33 11.558 -25.363 -0.888 1.00 0.00 O ATOM 475 CB ASP A 33 9.103 -26.710 -2.276 1.00 0.00 C ATOM 476 CG ASP A 33 7.609 -26.949 -2.460 1.00 0.00 C ATOM 477 OD1 ASP A 33 6.840 -26.807 -1.484 1.00 0.00 O ATOM 478 OD2 ASP A 33 7.194 -27.134 -3.628 1.00 0.00 O ATOM 0 H ASP A 33 8.520 -24.821 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 33 8.966 -24.963 -1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.634 -27.033 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.468 -27.322 -1.451 1.00 0.00 H new ATOM 483 N ASN A 34 11.543 -24.485 -2.967 1.00 0.00 N ATOM 484 CA ASN A 34 12.945 -24.094 -3.040 1.00 0.00 C ATOM 485 C ASN A 34 13.286 -22.934 -2.107 1.00 0.00 C ATOM 486 O ASN A 34 14.465 -22.725 -1.835 1.00 0.00 O ATOM 487 CB ASN A 34 13.308 -23.693 -4.485 1.00 0.00 C ATOM 488 CG ASN A 34 14.402 -24.585 -5.049 1.00 0.00 C ATOM 489 OD1 ASN A 34 15.538 -24.557 -4.596 1.00 0.00 O ATOM 490 ND2 ASN A 34 14.084 -25.387 -6.050 1.00 0.00 N ATOM 0 H ASN A 34 11.037 -24.288 -3.830 1.00 0.00 H new ATOM 0 HA ASN A 34 13.526 -24.960 -2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.422 -23.758 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.637 -22.654 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.791 -25.997 -6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.131 -25.396 -6.414 1.00 0.00 H new ATOM 497 N SER A 35 12.309 -22.134 -1.673 1.00 0.00 N ATOM 498 CA SER A 35 12.533 -21.015 -0.772 1.00 0.00 C ATOM 499 C SER A 35 11.242 -20.803 0.023 1.00 0.00 C ATOM 500 O SER A 35 10.350 -20.079 -0.437 1.00 0.00 O ATOM 501 CB SER A 35 12.946 -19.766 -1.554 1.00 0.00 C ATOM 502 OG SER A 35 13.434 -18.770 -0.677 1.00 0.00 O ATOM 0 H SER A 35 11.333 -22.251 -1.943 1.00 0.00 H new ATOM 0 HA SER A 35 13.352 -21.223 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.714 -20.024 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.093 -19.381 -2.112 1.00 0.00 H new ATOM 0 HG SER A 35 13.695 -17.979 -1.193 1.00 0.00 H new ATOM 508 N PRO A 36 11.096 -21.458 1.184 1.00 0.00 N ATOM 509 CA PRO A 36 9.917 -21.335 2.025 1.00 0.00 C ATOM 510 C PRO A 36 9.870 -19.983 2.758 1.00 0.00 C ATOM 511 O PRO A 36 9.910 -19.929 3.988 1.00 0.00 O ATOM 512 CB PRO A 36 9.984 -22.548 2.957 1.00 0.00 C ATOM 513 CG PRO A 36 11.475 -22.797 3.114 1.00 0.00 C ATOM 514 CD PRO A 36 12.021 -22.443 1.737 1.00 0.00 C ATOM 0 HA PRO A 36 8.988 -21.337 1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 36 9.509 -22.343 3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 36 9.476 -23.412 2.528 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.910 -22.173 3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.687 -23.833 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.029 -22.035 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.079 -23.326 1.100 1.00 0.00 H new ATOM 522 N LEU A 37 9.747 -18.875 2.030 1.00 0.00 N ATOM 523 CA LEU A 37 9.424 -17.567 2.584 1.00 0.00 C ATOM 524 C LEU A 37 8.660 -16.807 1.504 1.00 0.00 C ATOM 525 O LEU A 37 9.166 -16.700 0.383 1.00 0.00 O ATOM 526 CB LEU A 37 10.708 -16.805 2.985 1.00 0.00 C ATOM 527 CG LEU A 37 10.621 -15.996 4.296 1.00 0.00 C ATOM 528 CD1 LEU A 37 11.698 -14.906 4.301 1.00 0.00 C ATOM 529 CD2 LEU A 37 9.269 -15.324 4.541 1.00 0.00 C ATOM 0 H LEU A 37 9.872 -18.864 1.018 1.00 0.00 H new ATOM 0 HA LEU A 37 8.823 -17.669 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.522 -17.524 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.973 -16.124 2.176 1.00 0.00 H new ATOM 0 HG LEU A 37 10.766 -16.724 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.634 -14.336 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.683 -15.367 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.544 -14.238 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.299 -14.778 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.054 -14.631 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.488 -16.083 4.586 1.00 0.00 H new ATOM 541 N GLY A 38 7.464 -16.298 1.807 1.00 0.00 N ATOM 542 CA GLY A 38 6.670 -15.541 0.847 1.00 0.00 C ATOM 543 C GLY A 38 7.191 -14.118 0.676 1.00 0.00 C ATOM 544 O GLY A 38 8.079 -13.671 1.407 1.00 0.00 O ATOM 0 H GLY A 38 7.023 -16.400 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.682 -16.051 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.632 -15.510 1.178 1.00 0.00 H new ATOM 548 N VAL A 39 6.603 -13.387 -0.270 1.00 0.00 N ATOM 549 CA VAL A 39 6.924 -12.002 -0.607 1.00 0.00 C ATOM 550 C VAL A 39 5.606 -11.228 -0.695 1.00 0.00 C ATOM 551 O VAL A 39 4.583 -11.797 -1.095 1.00 0.00 O ATOM 552 CB VAL A 39 7.712 -11.958 -1.938 1.00 0.00 C ATOM 553 CG1 VAL A 39 8.047 -10.524 -2.377 1.00 0.00 C ATOM 554 CG2 VAL A 39 9.022 -12.756 -1.858 1.00 0.00 C ATOM 0 H VAL A 39 5.853 -13.764 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 39 7.556 -11.544 0.153 1.00 0.00 H new ATOM 0 HB VAL A 39 7.050 -12.412 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.600 -10.551 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.124 -9.961 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.655 -10.042 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.542 -12.698 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.655 -12.339 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.800 -13.798 -1.629 1.00 0.00 H new ATOM 564 N ILE A 40 5.625 -9.939 -0.352 1.00 0.00 N ATOM 565 CA ILE A 40 4.529 -8.991 -0.481 1.00 0.00 C ATOM 566 C ILE A 40 5.082 -7.803 -1.269 1.00 0.00 C ATOM 567 O ILE A 40 6.041 -7.165 -0.830 1.00 0.00 O ATOM 568 CB ILE A 40 3.983 -8.536 0.900 1.00 0.00 C ATOM 569 CG1 ILE A 40 3.838 -9.699 1.910 1.00 0.00 C ATOM 570 CG2 ILE A 40 2.636 -7.818 0.680 1.00 0.00 C ATOM 571 CD1 ILE A 40 3.237 -9.283 3.257 1.00 0.00 C ATOM 0 H ILE A 40 6.459 -9.508 0.047 1.00 0.00 H new ATOM 0 HA ILE A 40 3.685 -9.454 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 40 4.707 -7.855 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.212 -10.474 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.819 -10.141 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.237 -7.491 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.786 -6.952 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.931 -8.503 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.168 -10.154 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.873 -8.530 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.241 -8.869 3.099 1.00 0.00 H new ATOM 583 N GLY A 41 4.465 -7.519 -2.416 1.00 0.00 N ATOM 584 CA GLY A 41 4.652 -6.314 -3.202 1.00 0.00 C ATOM 585 C GLY A 41 3.267 -5.861 -3.645 1.00 0.00 C ATOM 586 O GLY A 41 2.489 -6.681 -4.147 1.00 0.00 O ATOM 0 H GLY A 41 3.790 -8.158 -2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.142 -5.539 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.289 -6.509 -4.064 1.00 0.00 H new ATOM 590 N SER A 42 2.919 -4.598 -3.394 1.00 0.00 N ATOM 591 CA SER A 42 1.650 -3.993 -3.789 1.00 0.00 C ATOM 592 C SER A 42 1.887 -2.714 -4.591 1.00 0.00 C ATOM 593 O SER A 42 2.946 -2.097 -4.469 1.00 0.00 O ATOM 594 CB SER A 42 0.753 -3.795 -2.564 1.00 0.00 C ATOM 595 OG SER A 42 -0.614 -3.777 -2.947 1.00 0.00 O ATOM 0 H SER A 42 3.531 -3.951 -2.896 1.00 0.00 H new ATOM 0 HA SER A 42 1.114 -4.668 -4.456 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.925 -4.597 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.009 -2.860 -2.065 1.00 0.00 H new ATOM 0 HG SER A 42 -0.773 -4.468 -3.623 1.00 0.00 H new ATOM 601 N PHE A 43 0.925 -2.335 -5.435 1.00 0.00 N ATOM 602 CA PHE A 43 0.942 -1.080 -6.177 1.00 0.00 C ATOM 603 C PHE A 43 -0.179 -0.185 -5.664 1.00 0.00 C ATOM 604 O PHE A 43 -1.293 -0.672 -5.444 1.00 0.00 O ATOM 605 CB PHE A 43 0.745 -1.348 -7.671 1.00 0.00 C ATOM 606 CG PHE A 43 1.873 -2.113 -8.329 1.00 0.00 C ATOM 607 CD1 PHE A 43 3.124 -1.495 -8.505 1.00 0.00 C ATOM 608 CD2 PHE A 43 1.670 -3.428 -8.789 1.00 0.00 C ATOM 609 CE1 PHE A 43 4.160 -2.180 -9.161 1.00 0.00 C ATOM 610 CE2 PHE A 43 2.715 -4.120 -9.424 1.00 0.00 C ATOM 611 CZ PHE A 43 3.957 -3.492 -9.618 1.00 0.00 C ATOM 0 H PHE A 43 0.100 -2.904 -5.623 1.00 0.00 H new ATOM 0 HA PHE A 43 1.904 -0.588 -6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.182 -1.905 -7.807 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.622 -0.394 -8.185 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.288 -0.493 -8.136 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.711 -3.905 -8.654 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.114 -1.697 -9.314 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.564 -5.134 -9.763 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.756 -4.019 -10.119 1.00 0.00 H new ATOM 621 N THR A 44 0.093 1.115 -5.545 1.00 0.00 N ATOM 622 CA THR A 44 -0.816 2.113 -4.997 1.00 0.00 C ATOM 623 C THR A 44 -1.115 3.134 -6.097 1.00 0.00 C ATOM 624 O THR A 44 -0.205 3.851 -6.513 1.00 0.00 O ATOM 625 CB THR A 44 -0.129 2.732 -3.768 1.00 0.00 C ATOM 626 OG1 THR A 44 0.180 1.695 -2.854 1.00 0.00 O ATOM 627 CG2 THR A 44 -0.984 3.782 -3.060 1.00 0.00 C ATOM 0 H THR A 44 0.985 1.513 -5.839 1.00 0.00 H new ATOM 0 HA THR A 44 -1.769 1.694 -4.675 1.00 0.00 H new ATOM 0 HB THR A 44 0.768 3.241 -4.120 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.621 2.075 -2.065 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.439 4.177 -2.203 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.210 4.593 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.913 3.325 -2.720 1.00 0.00 H new ATOM 635 N TYR A 45 -2.368 3.243 -6.547 1.00 0.00 N ATOM 636 CA TYR A 45 -2.796 4.103 -7.644 1.00 0.00 C ATOM 637 C TYR A 45 -3.697 5.212 -7.097 1.00 0.00 C ATOM 638 O TYR A 45 -4.421 4.975 -6.125 1.00 0.00 O ATOM 639 CB TYR A 45 -3.554 3.241 -8.669 1.00 0.00 C ATOM 640 CG TYR A 45 -3.241 3.591 -10.105 1.00 0.00 C ATOM 641 CD1 TYR A 45 -3.974 4.582 -10.787 1.00 0.00 C ATOM 642 CD2 TYR A 45 -2.189 2.919 -10.754 1.00 0.00 C ATOM 643 CE1 TYR A 45 -3.647 4.907 -12.116 1.00 0.00 C ATOM 644 CE2 TYR A 45 -1.859 3.240 -12.079 1.00 0.00 C ATOM 645 CZ TYR A 45 -2.577 4.245 -12.764 1.00 0.00 C ATOM 646 OH TYR A 45 -2.200 4.593 -14.025 1.00 0.00 O ATOM 0 H TYR A 45 -3.138 2.713 -6.139 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.937 4.567 -8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.312 2.192 -8.499 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.625 3.352 -8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.786 5.092 -10.290 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.634 2.154 -10.231 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.213 5.662 -12.642 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.055 2.718 -12.576 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.448 4.032 -14.308 1.00 0.00 H new ATOM 656 N THR A 46 -3.695 6.390 -7.728 1.00 0.00 N ATOM 657 CA THR A 46 -4.575 7.491 -7.382 1.00 0.00 C ATOM 658 C THR A 46 -5.358 7.892 -8.623 1.00 0.00 C ATOM 659 O THR A 46 -4.767 8.253 -9.640 1.00 0.00 O ATOM 660 CB THR A 46 -3.726 8.626 -6.808 1.00 0.00 C ATOM 661 OG1 THR A 46 -3.336 8.247 -5.508 1.00 0.00 O ATOM 662 CG2 THR A 46 -4.472 9.962 -6.737 1.00 0.00 C ATOM 0 H THR A 46 -3.069 6.601 -8.505 1.00 0.00 H new ATOM 0 HA THR A 46 -5.302 7.213 -6.619 1.00 0.00 H new ATOM 0 HB THR A 46 -2.873 8.781 -7.469 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.688 7.514 -5.562 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.814 10.725 -6.321 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.783 10.259 -7.739 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.351 9.855 -6.101 1.00 0.00 H new ATOM 670 N GLU A 47 -6.686 7.851 -8.535 1.00 0.00 N ATOM 671 CA GLU A 47 -7.572 8.095 -9.659 1.00 0.00 C ATOM 672 C GLU A 47 -8.718 8.987 -9.189 1.00 0.00 C ATOM 673 O GLU A 47 -9.724 8.509 -8.657 1.00 0.00 O ATOM 674 CB GLU A 47 -8.002 6.731 -10.193 1.00 0.00 C ATOM 675 CG GLU A 47 -8.630 6.820 -11.584 1.00 0.00 C ATOM 676 CD GLU A 47 -8.200 5.591 -12.383 1.00 0.00 C ATOM 677 OE1 GLU A 47 -8.738 4.476 -12.178 1.00 0.00 O ATOM 678 OE2 GLU A 47 -7.215 5.701 -13.147 1.00 0.00 O ATOM 0 H GLU A 47 -7.179 7.644 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.098 8.631 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.137 6.069 -10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.717 6.283 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.717 6.863 -11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.310 7.732 -12.088 1.00 0.00 H new ATOM 685 N LYS A 48 -8.510 10.302 -9.280 1.00 0.00 N ATOM 686 CA LYS A 48 -9.273 11.308 -8.554 1.00 0.00 C ATOM 687 C LYS A 48 -9.309 12.596 -9.367 1.00 0.00 C ATOM 688 O LYS A 48 -8.281 12.991 -9.913 1.00 0.00 O ATOM 689 CB LYS A 48 -8.617 11.535 -7.178 1.00 0.00 C ATOM 690 CG LYS A 48 -9.527 11.026 -6.057 1.00 0.00 C ATOM 691 CD LYS A 48 -10.680 12.009 -5.836 1.00 0.00 C ATOM 692 CE LYS A 48 -11.703 11.501 -4.827 1.00 0.00 C ATOM 693 NZ LYS A 48 -12.565 12.604 -4.368 1.00 0.00 N ATOM 0 H LYS A 48 -7.787 10.703 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.299 10.973 -8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.657 11.020 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.415 12.597 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.920 10.042 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.955 10.910 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.278 12.962 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.177 12.198 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.313 10.719 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.191 11.053 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.257 12.241 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.981 13.337 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.067 13.014 -5.181 1.00 0.00 H new ATOM 707 N SER A 49 -10.489 13.207 -9.474 1.00 0.00 N ATOM 708 CA SER A 49 -10.739 14.392 -10.288 1.00 0.00 C ATOM 709 C SER A 49 -11.486 15.479 -9.511 1.00 0.00 C ATOM 710 O SER A 49 -12.580 15.224 -8.982 1.00 0.00 O ATOM 711 CB SER A 49 -11.426 13.999 -11.602 1.00 0.00 C ATOM 712 OG SER A 49 -12.389 12.962 -11.446 1.00 0.00 O ATOM 0 H SER A 49 -11.320 12.880 -8.982 1.00 0.00 H new ATOM 0 HA SER A 49 -9.781 14.841 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.913 14.877 -12.026 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.669 13.678 -12.318 1.00 0.00 H new ATOM 0 HG SER A 49 -12.793 12.757 -12.315 1.00 0.00 H new ATOM 718 N ARG A 50 -10.909 16.677 -9.417 1.00 0.00 N ATOM 719 CA ARG A 50 -11.598 17.909 -9.055 1.00 0.00 C ATOM 720 C ARG A 50 -11.118 18.960 -10.048 1.00 0.00 C ATOM 721 O ARG A 50 -9.964 19.367 -10.011 1.00 0.00 O ATOM 722 CB ARG A 50 -11.310 18.295 -7.585 1.00 0.00 C ATOM 723 CG ARG A 50 -11.908 19.652 -7.157 1.00 0.00 C ATOM 724 CD ARG A 50 -11.433 20.000 -5.738 1.00 0.00 C ATOM 725 NE ARG A 50 -12.088 21.202 -5.178 1.00 0.00 N ATOM 726 CZ ARG A 50 -11.498 22.110 -4.384 1.00 0.00 C ATOM 727 NH1 ARG A 50 -10.180 22.129 -4.227 1.00 0.00 N ATOM 728 NH2 ARG A 50 -12.225 23.020 -3.747 1.00 0.00 N ATOM 0 H ARG A 50 -9.915 16.818 -9.598 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.682 17.804 -9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.704 17.515 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.231 18.322 -7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.603 20.432 -7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.997 19.606 -7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.624 19.152 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.354 20.156 -5.752 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.069 21.354 -5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.599 21.447 -4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.749 22.826 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.239 23.033 -3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.770 23.707 -3.145 1.00 0.00 H new ATOM 742 N THR A 51 -11.997 19.461 -10.911 1.00 0.00 N ATOM 743 CA THR A 51 -11.764 20.768 -11.490 1.00 0.00 C ATOM 744 C THR A 51 -13.112 21.464 -11.578 1.00 0.00 C ATOM 745 O THR A 51 -14.132 20.845 -11.912 1.00 0.00 O ATOM 746 CB THR A 51 -10.959 20.654 -12.803 1.00 0.00 C ATOM 747 OG1 THR A 51 -10.696 21.933 -13.342 1.00 0.00 O ATOM 748 CG2 THR A 51 -11.601 19.790 -13.883 1.00 0.00 C ATOM 0 H THR A 51 -12.851 18.994 -11.214 1.00 0.00 H new ATOM 0 HA THR A 51 -11.124 21.398 -10.872 1.00 0.00 H new ATOM 0 HB THR A 51 -10.037 20.151 -12.511 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.907 22.316 -12.905 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.960 19.773 -14.764 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.729 18.775 -13.508 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.573 20.204 -14.150 1.00 0.00 H new ATOM 756 N ALA A 52 -13.121 22.746 -11.207 1.00 0.00 N ATOM 757 CA ALA A 52 -14.269 23.610 -11.352 1.00 0.00 C ATOM 758 C ALA A 52 -14.308 24.053 -12.818 1.00 0.00 C ATOM 759 O ALA A 52 -14.571 23.223 -13.690 1.00 0.00 O ATOM 760 CB ALA A 52 -14.171 24.741 -10.332 1.00 0.00 C ATOM 0 H ALA A 52 -12.313 23.210 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.218 23.118 -11.138 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.034 25.399 -10.434 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.151 24.323 -9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.258 25.310 -10.507 1.00 0.00 H new ATOM 766 N SER A 53 -13.886 25.280 -13.120 1.00 0.00 N ATOM 767 CA SER A 53 -13.730 25.797 -14.467 1.00 0.00 C ATOM 768 C SER A 53 -12.436 26.586 -14.448 1.00 0.00 C ATOM 769 O SER A 53 -12.398 27.733 -13.997 1.00 0.00 O ATOM 770 CB SER A 53 -14.939 26.635 -14.888 1.00 0.00 C ATOM 771 OG SER A 53 -16.022 25.765 -15.164 1.00 0.00 O ATOM 0 H SER A 53 -13.636 25.961 -12.403 1.00 0.00 H new ATOM 0 HA SER A 53 -13.681 25.002 -15.211 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.208 27.334 -14.096 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.698 27.229 -15.769 1.00 0.00 H new ATOM 0 HG SER A 53 -16.804 26.291 -15.433 1.00 0.00 H new ATOM 777 N SER A 54 -11.374 25.918 -14.895 1.00 0.00 N ATOM 778 CA SER A 54 -10.154 26.583 -15.332 1.00 0.00 C ATOM 779 C SER A 54 -9.502 27.392 -14.199 1.00 0.00 C ATOM 780 O SER A 54 -9.190 28.568 -14.378 1.00 0.00 O ATOM 781 CB SER A 54 -10.471 27.413 -16.593 1.00 0.00 C ATOM 782 OG SER A 54 -11.153 26.604 -17.543 1.00 0.00 O ATOM 0 H SER A 54 -11.338 24.901 -14.963 1.00 0.00 H new ATOM 0 HA SER A 54 -9.400 25.843 -15.599 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.084 28.274 -16.328 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.549 27.800 -17.026 1.00 0.00 H new ATOM 0 HG SER A 54 -11.354 27.136 -18.341 1.00 0.00 H new ATOM 788 N GLY A 55 -9.288 26.762 -13.034 1.00 0.00 N ATOM 789 CA GLY A 55 -8.527 27.376 -11.940 1.00 0.00 C ATOM 790 C GLY A 55 -7.848 26.367 -11.008 1.00 0.00 C ATOM 791 O GLY A 55 -6.730 26.608 -10.548 1.00 0.00 O ATOM 0 H GLY A 55 -9.633 25.825 -12.827 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.767 28.032 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.197 28.003 -11.352 1.00 0.00 H new ATOM 795 N ASP A 56 -8.478 25.220 -10.763 1.00 0.00 N ATOM 796 CA ASP A 56 -7.981 24.122 -9.951 1.00 0.00 C ATOM 797 C ASP A 56 -7.907 22.950 -10.901 1.00 0.00 C ATOM 798 O ASP A 56 -8.941 22.531 -11.432 1.00 0.00 O ATOM 799 CB ASP A 56 -8.900 23.842 -8.753 1.00 0.00 C ATOM 800 CG ASP A 56 -8.466 22.651 -7.873 1.00 0.00 C ATOM 801 OD1 ASP A 56 -7.397 22.052 -8.124 1.00 0.00 O ATOM 802 OD2 ASP A 56 -9.216 22.364 -6.905 1.00 0.00 O ATOM 0 H ASP A 56 -9.401 25.025 -11.150 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.010 24.343 -9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.948 24.737 -8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.909 23.655 -9.122 1.00 0.00 H new ATOM 807 N TYR A 57 -6.698 22.506 -11.215 1.00 0.00 N ATOM 808 CA TYR A 57 -6.433 21.302 -11.990 1.00 0.00 C ATOM 809 C TYR A 57 -5.956 20.235 -11.021 1.00 0.00 C ATOM 810 O TYR A 57 -4.760 19.982 -10.887 1.00 0.00 O ATOM 811 CB TYR A 57 -5.433 21.576 -13.127 1.00 0.00 C ATOM 812 CG TYR A 57 -6.072 21.933 -14.456 1.00 0.00 C ATOM 813 CD1 TYR A 57 -7.152 22.834 -14.521 1.00 0.00 C ATOM 814 CD2 TYR A 57 -5.551 21.388 -15.648 1.00 0.00 C ATOM 815 CE1 TYR A 57 -7.730 23.160 -15.757 1.00 0.00 C ATOM 816 CE2 TYR A 57 -6.107 21.736 -16.891 1.00 0.00 C ATOM 817 CZ TYR A 57 -7.208 22.618 -16.950 1.00 0.00 C ATOM 818 OH TYR A 57 -7.766 22.931 -18.147 1.00 0.00 O ATOM 0 H TYR A 57 -5.847 22.990 -10.928 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.337 20.953 -12.489 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -4.774 22.390 -12.825 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.808 20.694 -13.264 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.538 23.277 -13.614 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.720 20.699 -15.605 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.578 23.828 -15.795 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.692 21.329 -17.801 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.281 22.471 -18.864 1.00 0.00 H new ATOM 828 N ASN A 58 -6.894 19.589 -10.327 1.00 0.00 N ATOM 829 CA ASN A 58 -6.549 18.576 -9.346 1.00 0.00 C ATOM 830 C ASN A 58 -6.274 17.247 -10.061 1.00 0.00 C ATOM 831 O ASN A 58 -7.043 16.290 -9.955 1.00 0.00 O ATOM 832 CB ASN A 58 -7.670 18.498 -8.309 1.00 0.00 C ATOM 833 CG ASN A 58 -7.183 17.981 -6.983 1.00 0.00 C ATOM 834 OD1 ASN A 58 -7.604 16.923 -6.521 1.00 0.00 O ATOM 835 ND2 ASN A 58 -6.366 18.763 -6.302 1.00 0.00 N ATOM 0 H ASN A 58 -7.895 19.753 -10.430 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.634 18.830 -8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.106 19.488 -8.173 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.462 17.849 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.067 18.495 -5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.034 19.635 -6.713 1.00 0.00 H new ATOM 842 N LYS A 59 -5.198 17.210 -10.851 1.00 0.00 N ATOM 843 CA LYS A 59 -4.807 16.108 -11.724 1.00 0.00 C ATOM 844 C LYS A 59 -3.314 15.904 -11.500 1.00 0.00 C ATOM 845 O LYS A 59 -2.525 16.811 -11.755 1.00 0.00 O ATOM 846 CB LYS A 59 -5.134 16.502 -13.179 1.00 0.00 C ATOM 847 CG LYS A 59 -4.763 15.458 -14.246 1.00 0.00 C ATOM 848 CD LYS A 59 -5.687 14.237 -14.267 1.00 0.00 C ATOM 849 CE LYS A 59 -5.403 13.377 -15.501 1.00 0.00 C ATOM 850 NZ LYS A 59 -6.262 12.179 -15.548 1.00 0.00 N ATOM 0 H LYS A 59 -4.544 17.991 -10.899 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.337 15.179 -11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.202 16.706 -13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.616 17.433 -13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.782 15.933 -15.227 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.740 15.124 -14.073 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.541 13.647 -13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.728 14.560 -14.272 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.560 13.971 -16.401 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.356 13.073 -15.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.038 11.624 -16.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.094 11.598 -14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.260 12.469 -15.577 1.00 0.00 H new ATOM 864 N ASN A 60 -2.942 14.743 -10.971 1.00 0.00 N ATOM 865 CA ASN A 60 -1.578 14.323 -10.659 1.00 0.00 C ATOM 866 C ASN A 60 -1.599 12.793 -10.588 1.00 0.00 C ATOM 867 O ASN A 60 -2.670 12.227 -10.346 1.00 0.00 O ATOM 868 CB ASN A 60 -1.153 14.911 -9.300 1.00 0.00 C ATOM 869 CG ASN A 60 0.135 14.276 -8.784 1.00 0.00 C ATOM 870 OD1 ASN A 60 0.098 13.475 -7.855 1.00 0.00 O ATOM 871 ND2 ASN A 60 1.259 14.575 -9.398 1.00 0.00 N ATOM 0 H ASN A 60 -3.626 14.025 -10.734 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.871 14.670 -11.412 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.013 15.988 -9.398 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.950 14.758 -8.573 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.132 14.137 -9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.257 15.245 -10.167 1.00 0.00 H new ATOM 878 N GLN A 61 -0.446 12.128 -10.683 1.00 0.00 N ATOM 879 CA GLN A 61 -0.323 10.706 -10.393 1.00 0.00 C ATOM 880 C GLN A 61 0.534 10.610 -9.142 1.00 0.00 C ATOM 881 O GLN A 61 1.655 11.127 -9.115 1.00 0.00 O ATOM 882 CB GLN A 61 0.392 9.978 -11.545 1.00 0.00 C ATOM 883 CG GLN A 61 -0.482 9.754 -12.785 1.00 0.00 C ATOM 884 CD GLN A 61 -0.866 8.287 -12.953 1.00 0.00 C ATOM 885 OE1 GLN A 61 -1.856 7.821 -12.400 1.00 0.00 O ATOM 886 NE2 GLN A 61 -0.120 7.524 -13.731 1.00 0.00 N ATOM 0 H GLN A 61 0.431 12.567 -10.965 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.304 10.249 -10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.272 10.554 -11.833 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.747 9.012 -11.185 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.385 10.359 -12.707 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.053 10.093 -13.672 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.703 7.914 -14.190 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.367 6.545 -13.873 1.00 0.00 H new ATOM 895 N TYR A 62 0.029 9.877 -8.154 1.00 0.00 N ATOM 896 CA TYR A 62 0.764 9.490 -6.961 1.00 0.00 C ATOM 897 C TYR A 62 1.010 8.008 -7.160 1.00 0.00 C ATOM 898 O TYR A 62 0.125 7.311 -7.664 1.00 0.00 O ATOM 899 CB TYR A 62 -0.068 9.815 -5.710 1.00 0.00 C ATOM 900 CG TYR A 62 0.414 9.243 -4.386 1.00 0.00 C ATOM 901 CD1 TYR A 62 1.642 9.649 -3.837 1.00 0.00 C ATOM 902 CD2 TYR A 62 -0.395 8.352 -3.657 1.00 0.00 C ATOM 903 CE1 TYR A 62 2.065 9.160 -2.589 1.00 0.00 C ATOM 904 CE2 TYR A 62 0.038 7.813 -2.437 1.00 0.00 C ATOM 905 CZ TYR A 62 1.272 8.220 -1.893 1.00 0.00 C ATOM 906 OH TYR A 62 1.692 7.730 -0.697 1.00 0.00 O ATOM 0 H TYR A 62 -0.929 9.528 -8.165 1.00 0.00 H new ATOM 0 HA TYR A 62 1.704 10.022 -6.814 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.119 10.899 -5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.085 9.462 -5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.267 10.343 -4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.366 8.079 -4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.996 9.503 -2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.572 7.089 -1.917 1.00 0.00 H new ATOM 0 HH TYR A 62 1.029 7.096 -0.352 1.00 0.00 H new ATOM 916 N TYR A 63 2.198 7.525 -6.839 1.00 0.00 N ATOM 917 CA TYR A 63 2.512 6.112 -6.931 1.00 0.00 C ATOM 918 C TYR A 63 3.380 5.758 -5.740 1.00 0.00 C ATOM 919 O TYR A 63 3.954 6.638 -5.100 1.00 0.00 O ATOM 920 CB TYR A 63 3.184 5.800 -8.275 1.00 0.00 C ATOM 921 CG TYR A 63 4.531 6.467 -8.484 1.00 0.00 C ATOM 922 CD1 TYR A 63 4.611 7.787 -8.972 1.00 0.00 C ATOM 923 CD2 TYR A 63 5.705 5.769 -8.153 1.00 0.00 C ATOM 924 CE1 TYR A 63 5.864 8.406 -9.137 1.00 0.00 C ATOM 925 CE2 TYR A 63 6.957 6.376 -8.325 1.00 0.00 C ATOM 926 CZ TYR A 63 7.043 7.692 -8.826 1.00 0.00 C ATOM 927 OH TYR A 63 8.268 8.261 -8.975 1.00 0.00 O ATOM 0 H TYR A 63 2.971 8.102 -6.508 1.00 0.00 H new ATOM 0 HA TYR A 63 1.610 5.501 -6.901 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.312 4.721 -8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.515 6.105 -9.079 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.708 8.325 -9.220 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.643 4.763 -7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.924 9.422 -9.499 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.857 5.835 -8.073 1.00 0.00 H new ATOM 0 HH TYR A 63 8.961 7.620 -8.711 1.00 0.00 H new ATOM 937 N GLY A 64 3.512 4.474 -5.446 1.00 0.00 N ATOM 938 CA GLY A 64 4.301 4.010 -4.328 1.00 0.00 C ATOM 939 C GLY A 64 4.719 2.575 -4.567 1.00 0.00 C ATOM 940 O GLY A 64 4.272 1.946 -5.532 1.00 0.00 O ATOM 0 H GLY A 64 3.071 3.726 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.181 4.641 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.724 4.083 -3.406 1.00 0.00 H new ATOM 944 N ILE A 65 5.618 2.106 -3.712 1.00 0.00 N ATOM 945 CA ILE A 65 6.056 0.726 -3.625 1.00 0.00 C ATOM 946 C ILE A 65 6.087 0.383 -2.136 1.00 0.00 C ATOM 947 O ILE A 65 6.375 1.249 -1.302 1.00 0.00 O ATOM 948 CB ILE A 65 7.404 0.509 -4.361 1.00 0.00 C ATOM 949 CG1 ILE A 65 8.569 1.419 -3.900 1.00 0.00 C ATOM 950 CG2 ILE A 65 7.208 0.698 -5.876 1.00 0.00 C ATOM 951 CD1 ILE A 65 9.396 0.814 -2.764 1.00 0.00 C ATOM 0 H ILE A 65 6.081 2.708 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 65 5.375 0.045 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 65 7.696 -0.510 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.222 1.619 -4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 65 8.165 2.378 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.158 0.544 -6.388 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.478 -0.024 -6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.849 1.708 -6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.195 1.502 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.755 0.639 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.828 -0.131 -3.092 1.00 0.00 H new ATOM 963 N THR A 66 5.733 -0.849 -1.790 1.00 0.00 N ATOM 964 CA THR A 66 5.739 -1.329 -0.419 1.00 0.00 C ATOM 965 C THR A 66 6.237 -2.768 -0.432 1.00 0.00 C ATOM 966 O THR A 66 5.677 -3.595 -1.158 1.00 0.00 O ATOM 967 CB THR A 66 4.356 -1.087 0.224 1.00 0.00 C ATOM 968 OG1 THR A 66 4.252 -1.680 1.505 1.00 0.00 O ATOM 969 CG2 THR A 66 3.186 -1.566 -0.645 1.00 0.00 C ATOM 0 H THR A 66 5.430 -1.550 -2.466 1.00 0.00 H new ATOM 0 HA THR A 66 6.426 -0.780 0.224 1.00 0.00 H new ATOM 0 HB THR A 66 4.283 -0.004 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.015 -0.995 2.164 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.246 -1.365 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.200 -1.037 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.280 -2.637 -0.823 1.00 0.00 H new ATOM 977 N ALA A 67 7.245 -3.100 0.381 1.00 0.00 N ATOM 978 CA ALA A 67 7.971 -4.356 0.268 1.00 0.00 C ATOM 979 C ALA A 67 8.102 -5.035 1.627 1.00 0.00 C ATOM 980 O ALA A 67 8.472 -4.392 2.618 1.00 0.00 O ATOM 981 CB ALA A 67 9.361 -4.065 -0.310 1.00 0.00 C ATOM 0 H ALA A 67 7.576 -2.499 1.136 1.00 0.00 H new ATOM 0 HA ALA A 67 7.423 -5.031 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.919 -4.997 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.257 -3.606 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.896 -3.385 0.353 1.00 0.00 H new ATOM 987 N GLY A 68 7.935 -6.354 1.661 1.00 0.00 N ATOM 988 CA GLY A 68 8.367 -7.190 2.772 1.00 0.00 C ATOM 989 C GLY A 68 8.197 -8.673 2.450 1.00 0.00 C ATOM 990 O GLY A 68 7.544 -9.018 1.464 1.00 0.00 O ATOM 0 H GLY A 68 7.490 -6.877 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.412 -6.983 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.791 -6.941 3.663 1.00 0.00 H new ATOM 994 N PRO A 69 8.788 -9.565 3.258 1.00 0.00 N ATOM 995 CA PRO A 69 8.516 -10.991 3.182 1.00 0.00 C ATOM 996 C PRO A 69 7.141 -11.303 3.802 1.00 0.00 C ATOM 997 O PRO A 69 6.471 -10.417 4.336 1.00 0.00 O ATOM 998 CB PRO A 69 9.678 -11.636 3.941 1.00 0.00 C ATOM 999 CG PRO A 69 9.989 -10.617 5.030 1.00 0.00 C ATOM 1000 CD PRO A 69 9.706 -9.277 4.351 1.00 0.00 C ATOM 0 HA PRO A 69 8.459 -11.374 2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.398 -12.602 4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.537 -11.807 3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.361 -10.763 5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.024 -10.688 5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.266 -8.569 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.626 -8.826 3.979 1.00 0.00 H new ATOM 1008 N ALA A 70 6.724 -12.571 3.768 1.00 0.00 N ATOM 1009 CA ALA A 70 5.543 -13.080 4.461 1.00 0.00 C ATOM 1010 C ALA A 70 5.910 -14.433 5.068 1.00 0.00 C ATOM 1011 O ALA A 70 6.105 -15.396 4.325 1.00 0.00 O ATOM 1012 CB ALA A 70 4.365 -13.198 3.488 1.00 0.00 C ATOM 0 H ALA A 70 7.216 -13.292 3.240 1.00 0.00 H new ATOM 0 HA ALA A 70 5.232 -12.398 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.492 -13.578 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.137 -12.217 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.627 -13.883 2.681 1.00 0.00 H new ATOM 1018 N TYR A 71 6.066 -14.489 6.394 1.00 0.00 N ATOM 1019 CA TYR A 71 6.486 -15.708 7.089 1.00 0.00 C ATOM 1020 C TYR A 71 5.238 -16.497 7.495 1.00 0.00 C ATOM 1021 O TYR A 71 4.187 -15.899 7.760 1.00 0.00 O ATOM 1022 CB TYR A 71 7.377 -15.345 8.295 1.00 0.00 C ATOM 1023 CG TYR A 71 8.387 -16.418 8.679 1.00 0.00 C ATOM 1024 CD1 TYR A 71 8.040 -17.438 9.587 1.00 0.00 C ATOM 1025 CD2 TYR A 71 9.691 -16.390 8.137 1.00 0.00 C ATOM 1026 CE1 TYR A 71 8.977 -18.429 9.941 1.00 0.00 C ATOM 1027 CE2 TYR A 71 10.634 -17.373 8.496 1.00 0.00 C ATOM 1028 CZ TYR A 71 10.284 -18.400 9.403 1.00 0.00 C ATOM 1029 OH TYR A 71 11.202 -19.340 9.762 1.00 0.00 O ATOM 0 H TYR A 71 5.905 -13.694 7.013 1.00 0.00 H new ATOM 0 HA TYR A 71 7.086 -16.340 6.434 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.913 -14.423 8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.738 -15.141 9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.049 -17.460 10.015 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.967 -15.610 7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.695 -19.214 10.627 1.00 0.00 H new ATOM 0 HE2 TYR A 71 11.629 -17.342 8.077 1.00 0.00 H new ATOM 0 HH TYR A 71 12.046 -19.168 9.295 1.00 0.00 H new ATOM 1039 N ARG A 72 5.327 -17.831 7.540 1.00 0.00 N ATOM 1040 CA ARG A 72 4.191 -18.685 7.900 1.00 0.00 C ATOM 1041 C ARG A 72 4.182 -18.949 9.405 1.00 0.00 C ATOM 1042 O ARG A 72 5.235 -19.148 10.012 1.00 0.00 O ATOM 1043 CB ARG A 72 4.183 -19.978 7.059 1.00 0.00 C ATOM 1044 CG ARG A 72 5.260 -21.025 7.401 1.00 0.00 C ATOM 1045 CD ARG A 72 5.078 -22.307 6.566 1.00 0.00 C ATOM 1046 NE ARG A 72 5.385 -23.523 7.337 1.00 0.00 N ATOM 1047 CZ ARG A 72 4.988 -24.767 7.041 1.00 0.00 C ATOM 1048 NH1 ARG A 72 4.563 -25.102 5.828 1.00 0.00 N ATOM 1049 NH2 ARG A 72 4.974 -25.668 8.008 1.00 0.00 N ATOM 0 H ARG A 72 6.182 -18.345 7.329 1.00 0.00 H new ATOM 0 HA ARG A 72 3.263 -18.164 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.205 -20.447 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.294 -19.704 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.249 -20.606 7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.209 -21.269 8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.052 -22.359 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.724 -22.262 5.689 1.00 0.00 H new ATOM 0 HE ARG A 72 5.954 -23.407 8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.532 -24.402 5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.268 -26.060 5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.261 -25.408 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.676 -26.623 7.811 1.00 0.00 H new ATOM 1063 N ILE A 73 2.993 -18.998 10.012 1.00 0.00 N ATOM 1064 CA ILE A 73 2.857 -19.372 11.420 1.00 0.00 C ATOM 1065 C ILE A 73 2.843 -20.909 11.454 1.00 0.00 C ATOM 1066 O ILE A 73 3.872 -21.537 11.215 1.00 0.00 O ATOM 1067 CB ILE A 73 1.662 -18.645 12.083 1.00 0.00 C ATOM 1068 CG1 ILE A 73 1.838 -17.110 11.970 1.00 0.00 C ATOM 1069 CG2 ILE A 73 1.552 -19.011 13.582 1.00 0.00 C ATOM 1070 CD1 ILE A 73 0.533 -16.355 12.218 1.00 0.00 C ATOM 0 H ILE A 73 2.110 -18.783 9.548 1.00 0.00 H new ATOM 0 HA ILE A 73 3.690 -19.040 12.040 1.00 0.00 H new ATOM 0 HB ILE A 73 0.757 -18.961 11.563 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.588 -16.779 12.688 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.215 -16.862 10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.704 -18.487 14.023 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.407 -20.086 13.684 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.467 -18.718 14.096 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.710 -15.283 12.127 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.211 -16.663 11.484 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.168 -16.579 13.220 1.00 0.00 H new ATOM 1082 N ASN A 74 1.675 -21.533 11.617 1.00 0.00 N ATOM 1083 CA ASN A 74 1.463 -22.981 11.523 1.00 0.00 C ATOM 1084 C ASN A 74 0.282 -23.278 10.582 1.00 0.00 C ATOM 1085 O ASN A 74 -0.294 -24.369 10.593 1.00 0.00 O ATOM 1086 CB ASN A 74 1.263 -23.577 12.926 1.00 0.00 C ATOM 1087 CG ASN A 74 1.197 -25.102 12.866 1.00 0.00 C ATOM 1088 OD1 ASN A 74 1.888 -25.736 12.075 1.00 0.00 O ATOM 1089 ND2 ASN A 74 0.352 -25.725 13.670 1.00 0.00 N ATOM 0 H ASN A 74 0.816 -21.024 11.826 1.00 0.00 H new ATOM 0 HA ASN A 74 2.345 -23.458 11.095 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.082 -23.270 13.576 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.345 -23.186 13.364 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.271 -26.741 13.636 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.218 -25.189 14.324 1.00 0.00 H new ATOM 1096 N ASP A 75 -0.178 -22.266 9.835 1.00 0.00 N ATOM 1097 CA ASP A 75 -1.527 -22.281 9.288 1.00 0.00 C ATOM 1098 C ASP A 75 -1.685 -21.369 8.074 1.00 0.00 C ATOM 1099 O ASP A 75 -0.708 -20.760 7.624 1.00 0.00 O ATOM 1100 CB ASP A 75 -2.492 -21.899 10.421 1.00 0.00 C ATOM 1101 CG ASP A 75 -3.921 -22.359 10.157 1.00 0.00 C ATOM 1102 OD1 ASP A 75 -4.066 -23.391 9.462 1.00 0.00 O ATOM 1103 OD2 ASP A 75 -4.860 -21.677 10.613 1.00 0.00 O ATOM 0 H ASP A 75 0.365 -21.435 9.601 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.755 -23.280 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.140 -22.337 11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.481 -20.817 10.552 1.00 0.00 H new ATOM 1108 N TRP A 76 -2.900 -21.295 7.526 1.00 0.00 N ATOM 1109 CA TRP A 76 -3.294 -20.553 6.327 1.00 0.00 C ATOM 1110 C TRP A 76 -3.279 -19.020 6.496 1.00 0.00 C ATOM 1111 O TRP A 76 -3.836 -18.306 5.660 1.00 0.00 O ATOM 1112 CB TRP A 76 -4.649 -21.090 5.831 1.00 0.00 C ATOM 1113 CG TRP A 76 -4.620 -22.529 5.397 1.00 0.00 C ATOM 1114 CD1 TRP A 76 -4.691 -23.590 6.227 1.00 0.00 C ATOM 1115 CD2 TRP A 76 -4.555 -23.095 4.048 1.00 0.00 C ATOM 1116 NE1 TRP A 76 -4.583 -24.759 5.508 1.00 0.00 N ATOM 1117 CE2 TRP A 76 -4.500 -24.518 4.155 1.00 0.00 C ATOM 1118 CE3 TRP A 76 -4.593 -22.560 2.743 1.00 0.00 C ATOM 1119 CZ2 TRP A 76 -4.446 -25.363 3.037 1.00 0.00 C ATOM 1120 CZ3 TRP A 76 -4.566 -23.397 1.610 1.00 0.00 C ATOM 1121 CH2 TRP A 76 -4.472 -24.793 1.754 1.00 0.00 C ATOM 0 H TRP A 76 -3.692 -21.788 7.939 1.00 0.00 H new ATOM 0 HA TRP A 76 -2.536 -20.727 5.563 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -5.385 -20.977 6.627 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.986 -20.477 4.995 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -4.814 -23.531 7.298 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -4.567 -25.689 5.926 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.644 -21.489 2.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -4.385 -26.434 3.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.618 -22.963 0.622 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.420 -25.425 0.880 1.00 0.00 H new ATOM 1132 N ALA A 77 -2.618 -18.492 7.531 1.00 0.00 N ATOM 1133 CA ALA A 77 -2.301 -17.079 7.675 1.00 0.00 C ATOM 1134 C ALA A 77 -0.779 -16.917 7.653 1.00 0.00 C ATOM 1135 O ALA A 77 -0.056 -17.716 8.258 1.00 0.00 O ATOM 1136 CB ALA A 77 -2.903 -16.543 8.979 1.00 0.00 C ATOM 0 H ALA A 77 -2.282 -19.057 8.311 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.729 -16.505 6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.663 -15.485 9.083 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.985 -16.669 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.489 -17.093 9.824 1.00 0.00 H new ATOM 1142 N SER A 78 -0.302 -15.858 7.000 1.00 0.00 N ATOM 1143 CA SER A 78 1.114 -15.521 6.909 1.00 0.00 C ATOM 1144 C SER A 78 1.203 -14.001 6.879 1.00 0.00 C ATOM 1145 O SER A 78 0.587 -13.395 5.994 1.00 0.00 O ATOM 1146 CB SER A 78 1.731 -16.149 5.648 1.00 0.00 C ATOM 1147 OG SER A 78 1.009 -15.787 4.479 1.00 0.00 O ATOM 0 H SER A 78 -0.904 -15.197 6.509 1.00 0.00 H new ATOM 0 HA SER A 78 1.673 -15.913 7.759 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.768 -15.828 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.742 -17.234 5.749 1.00 0.00 H new ATOM 0 HG SER A 78 0.674 -14.871 4.572 1.00 0.00 H new ATOM 1153 N ILE A 79 1.887 -13.384 7.841 1.00 0.00 N ATOM 1154 CA ILE A 79 1.908 -11.933 8.014 1.00 0.00 C ATOM 1155 C ILE A 79 3.333 -11.504 8.362 1.00 0.00 C ATOM 1156 O ILE A 79 4.085 -12.282 8.958 1.00 0.00 O ATOM 1157 CB ILE A 79 0.850 -11.459 9.051 1.00 0.00 C ATOM 1158 CG1 ILE A 79 1.254 -11.552 10.540 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -0.531 -12.110 8.809 1.00 0.00 C ATOM 1160 CD1 ILE A 79 1.420 -12.967 11.096 1.00 0.00 C ATOM 0 H ILE A 79 2.449 -13.884 8.530 1.00 0.00 H new ATOM 0 HA ILE A 79 1.623 -11.444 7.083 1.00 0.00 H new ATOM 0 HB ILE A 79 0.784 -10.388 8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.193 -11.015 10.677 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.501 -11.034 11.134 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.239 -11.750 9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.888 -11.846 7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.441 -13.194 8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.704 -12.914 12.147 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.478 -13.508 11.001 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.196 -13.489 10.536 1.00 0.00 H new ATOM 1172 N TYR A 80 3.717 -10.288 7.974 1.00 0.00 N ATOM 1173 CA TYR A 80 4.969 -9.659 8.379 1.00 0.00 C ATOM 1174 C TYR A 80 4.775 -8.142 8.409 1.00 0.00 C ATOM 1175 O TYR A 80 3.753 -7.635 7.926 1.00 0.00 O ATOM 1176 CB TYR A 80 6.099 -10.061 7.414 1.00 0.00 C ATOM 1177 CG TYR A 80 7.417 -10.379 8.091 1.00 0.00 C ATOM 1178 CD1 TYR A 80 7.574 -11.616 8.743 1.00 0.00 C ATOM 1179 CD2 TYR A 80 8.496 -9.475 8.038 1.00 0.00 C ATOM 1180 CE1 TYR A 80 8.798 -11.954 9.340 1.00 0.00 C ATOM 1181 CE2 TYR A 80 9.728 -9.806 8.633 1.00 0.00 C ATOM 1182 CZ TYR A 80 9.873 -11.041 9.305 1.00 0.00 C ATOM 1183 OH TYR A 80 11.046 -11.353 9.921 1.00 0.00 O ATOM 0 H TYR A 80 3.154 -9.703 7.357 1.00 0.00 H new ATOM 0 HA TYR A 80 5.252 -9.996 9.376 1.00 0.00 H new ATOM 0 HB2 TYR A 80 5.779 -10.932 6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 80 6.257 -9.252 6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 80 6.747 -12.310 8.784 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.378 -8.525 7.539 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.917 -12.911 9.825 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.559 -9.119 8.576 1.00 0.00 H new ATOM 0 HH TYR A 80 11.683 -10.618 9.802 1.00 0.00 H new ATOM 1193 N GLY A 81 5.775 -7.423 8.919 1.00 0.00 N ATOM 1194 CA GLY A 81 5.894 -5.985 8.733 1.00 0.00 C ATOM 1195 C GLY A 81 6.394 -5.684 7.322 1.00 0.00 C ATOM 1196 O GLY A 81 7.157 -6.464 6.746 1.00 0.00 O ATOM 0 H GLY A 81 6.528 -7.829 9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.928 -5.507 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.583 -5.570 9.469 1.00 0.00 H new ATOM 1200 N VAL A 82 6.001 -4.535 6.776 1.00 0.00 N ATOM 1201 CA VAL A 82 6.431 -4.058 5.465 1.00 0.00 C ATOM 1202 C VAL A 82 6.949 -2.622 5.603 1.00 0.00 C ATOM 1203 O VAL A 82 6.723 -1.959 6.624 1.00 0.00 O ATOM 1204 CB VAL A 82 5.295 -4.209 4.425 1.00 0.00 C ATOM 1205 CG1 VAL A 82 4.842 -5.673 4.286 1.00 0.00 C ATOM 1206 CG2 VAL A 82 4.062 -3.347 4.731 1.00 0.00 C ATOM 0 H VAL A 82 5.360 -3.895 7.245 1.00 0.00 H new ATOM 0 HA VAL A 82 7.253 -4.668 5.089 1.00 0.00 H new ATOM 0 HB VAL A 82 5.730 -3.859 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.043 -5.738 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.684 -6.286 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.477 -6.034 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.308 -3.505 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.653 -3.628 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.348 -2.295 4.749 1.00 0.00 H new ATOM 1216 N VAL A 83 7.651 -2.131 4.585 1.00 0.00 N ATOM 1217 CA VAL A 83 8.137 -0.759 4.502 1.00 0.00 C ATOM 1218 C VAL A 83 7.543 -0.212 3.215 1.00 0.00 C ATOM 1219 O VAL A 83 7.625 -0.895 2.193 1.00 0.00 O ATOM 1220 CB VAL A 83 9.681 -0.702 4.486 1.00 0.00 C ATOM 1221 CG1 VAL A 83 10.172 0.729 4.753 1.00 0.00 C ATOM 1222 CG2 VAL A 83 10.314 -1.652 5.511 1.00 0.00 C ATOM 0 H VAL A 83 7.904 -2.694 3.773 1.00 0.00 H new ATOM 0 HA VAL A 83 7.839 -0.170 5.369 1.00 0.00 H new ATOM 0 HB VAL A 83 9.992 -1.023 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.262 0.749 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.786 1.396 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.817 1.059 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.400 -1.573 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.979 -1.382 6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.014 -2.677 5.291 1.00 0.00 H new ATOM 1232 N GLY A 84 6.939 0.974 3.268 1.00 0.00 N ATOM 1233 CA GLY A 84 6.262 1.584 2.139 1.00 0.00 C ATOM 1234 C GLY A 84 6.756 3.006 1.950 1.00 0.00 C ATOM 1235 O GLY A 84 7.245 3.633 2.897 1.00 0.00 O ATOM 0 H GLY A 84 6.909 1.543 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.446 1.002 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.185 1.583 2.305 1.00 0.00 H new ATOM 1239 N VAL A 85 6.616 3.519 0.736 1.00 0.00 N ATOM 1240 CA VAL A 85 6.911 4.894 0.389 1.00 0.00 C ATOM 1241 C VAL A 85 6.004 5.266 -0.782 1.00 0.00 C ATOM 1242 O VAL A 85 5.685 4.413 -1.618 1.00 0.00 O ATOM 1243 CB VAL A 85 8.419 5.023 0.073 1.00 0.00 C ATOM 1244 CG1 VAL A 85 8.812 4.281 -1.213 1.00 0.00 C ATOM 1245 CG2 VAL A 85 8.887 6.482 -0.034 1.00 0.00 C ATOM 0 H VAL A 85 6.283 2.969 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 85 6.713 5.588 1.205 1.00 0.00 H new ATOM 0 HB VAL A 85 8.920 4.559 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.881 4.402 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.580 3.221 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.255 4.692 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.954 6.507 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.338 6.983 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.702 6.994 0.911 1.00 0.00 H new ATOM 1255 N GLY A 86 5.639 6.542 -0.879 1.00 0.00 N ATOM 1256 CA GLY A 86 4.952 7.085 -2.033 1.00 0.00 C ATOM 1257 C GLY A 86 5.639 8.344 -2.539 1.00 0.00 C ATOM 1258 O GLY A 86 6.274 9.083 -1.783 1.00 0.00 O ATOM 0 H GLY A 86 5.817 7.230 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.923 6.339 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.918 7.312 -1.771 1.00 0.00 H new ATOM 1262 N TYR A 87 5.458 8.621 -3.824 1.00 0.00 N ATOM 1263 CA TYR A 87 6.032 9.736 -4.560 1.00 0.00 C ATOM 1264 C TYR A 87 4.919 10.405 -5.371 1.00 0.00 C ATOM 1265 O TYR A 87 4.073 9.721 -5.953 1.00 0.00 O ATOM 1266 CB TYR A 87 7.136 9.233 -5.504 1.00 0.00 C ATOM 1267 CG TYR A 87 8.032 8.126 -4.971 1.00 0.00 C ATOM 1268 CD1 TYR A 87 7.646 6.781 -5.138 1.00 0.00 C ATOM 1269 CD2 TYR A 87 9.251 8.431 -4.338 1.00 0.00 C ATOM 1270 CE1 TYR A 87 8.491 5.738 -4.726 1.00 0.00 C ATOM 1271 CE2 TYR A 87 10.092 7.391 -3.902 1.00 0.00 C ATOM 1272 CZ TYR A 87 9.730 6.043 -4.122 1.00 0.00 C ATOM 1273 OH TYR A 87 10.583 5.048 -3.761 1.00 0.00 O ATOM 0 H TYR A 87 4.869 8.035 -4.416 1.00 0.00 H new ATOM 0 HA TYR A 87 6.472 10.452 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 87 6.665 8.879 -6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.765 10.081 -5.775 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.691 6.550 -5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 87 9.540 9.461 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.195 4.709 -4.870 1.00 0.00 H new ATOM 0 HE2 TYR A 87 11.018 7.624 -3.397 1.00 0.00 H new ATOM 0 HH TYR A 87 11.389 5.437 -3.361 1.00 0.00 H new ATOM 1283 N GLY A 88 4.928 11.738 -5.436 1.00 0.00 N ATOM 1284 CA GLY A 88 3.879 12.541 -6.062 1.00 0.00 C ATOM 1285 C GLY A 88 2.918 13.069 -5.002 1.00 0.00 C ATOM 1286 O GLY A 88 3.041 12.712 -3.824 1.00 0.00 O ATOM 0 H GLY A 88 5.683 12.301 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.324 13.373 -6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.335 11.939 -6.789 1.00 0.00 H new ATOM 1290 N LYS A 89 2.006 13.958 -5.396 1.00 0.00 N ATOM 1291 CA LYS A 89 0.938 14.554 -4.586 1.00 0.00 C ATOM 1292 C LYS A 89 0.141 15.500 -5.491 1.00 0.00 C ATOM 1293 O LYS A 89 0.700 15.988 -6.477 1.00 0.00 O ATOM 1294 CB LYS A 89 1.473 15.304 -3.341 1.00 0.00 C ATOM 1295 CG LYS A 89 2.553 16.383 -3.581 1.00 0.00 C ATOM 1296 CD LYS A 89 4.030 15.960 -3.449 1.00 0.00 C ATOM 1297 CE LYS A 89 4.379 15.465 -2.035 1.00 0.00 C ATOM 1298 NZ LYS A 89 4.709 14.024 -1.984 1.00 0.00 N ATOM 0 H LYS A 89 1.991 14.306 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 89 0.304 13.757 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.627 15.777 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.880 14.566 -2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.408 16.786 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.374 17.199 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.244 15.171 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.670 16.805 -3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.225 16.038 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.537 15.662 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.521 13.659 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.124 13.509 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.714 13.890 -2.215 1.00 0.00 H new ATOM 1312 N PHE A 90 -1.122 15.795 -5.164 1.00 0.00 N ATOM 1313 CA PHE A 90 -2.004 16.672 -5.943 1.00 0.00 C ATOM 1314 C PHE A 90 -1.310 17.992 -6.296 1.00 0.00 C ATOM 1315 O PHE A 90 -0.470 18.466 -5.522 1.00 0.00 O ATOM 1316 CB PHE A 90 -3.312 16.936 -5.180 1.00 0.00 C ATOM 1317 CG PHE A 90 -3.166 17.815 -3.948 1.00 0.00 C ATOM 1318 CD1 PHE A 90 -3.198 19.220 -4.067 1.00 0.00 C ATOM 1319 CD2 PHE A 90 -2.984 17.238 -2.677 1.00 0.00 C ATOM 1320 CE1 PHE A 90 -3.052 20.028 -2.927 1.00 0.00 C ATOM 1321 CE2 PHE A 90 -2.856 18.046 -1.536 1.00 0.00 C ATOM 1322 CZ PHE A 90 -2.894 19.442 -1.660 1.00 0.00 C ATOM 0 H PHE A 90 -1.571 15.421 -4.328 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.242 16.162 -6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.025 17.403 -5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.739 15.980 -4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.335 19.676 -5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.942 16.163 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.061 21.104 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.728 17.593 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.802 20.066 -0.783 1.00 0.00 H new ATOM 1332 N GLN A 91 -1.658 18.598 -7.438 1.00 0.00 N ATOM 1333 CA GLN A 91 -0.930 19.743 -7.978 1.00 0.00 C ATOM 1334 C GLN A 91 -1.776 21.013 -8.002 1.00 0.00 C ATOM 1335 O GLN A 91 -3.009 20.959 -7.932 1.00 0.00 O ATOM 1336 CB GLN A 91 -0.286 19.376 -9.327 1.00 0.00 C ATOM 1337 CG GLN A 91 -1.159 19.541 -10.583 1.00 0.00 C ATOM 1338 CD GLN A 91 -1.049 20.937 -11.195 1.00 0.00 C ATOM 1339 OE1 GLN A 91 -2.004 21.701 -11.233 1.00 0.00 O ATOM 1340 NE2 GLN A 91 0.130 21.333 -11.652 1.00 0.00 N ATOM 0 H GLN A 91 -2.451 18.306 -8.009 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.110 19.989 -7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.608 19.986 -9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.041 18.338 -9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.866 18.799 -11.325 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.199 19.341 -10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.928 20.698 -11.622 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.240 22.272 -12.034 1.00 0.00 H new ATOM 1349 N THR A 92 -1.079 22.145 -8.048 1.00 0.00 N ATOM 1350 CA THR A 92 -1.634 23.485 -8.015 1.00 0.00 C ATOM 1351 C THR A 92 -0.900 24.332 -9.057 1.00 0.00 C ATOM 1352 O THR A 92 0.331 24.435 -9.007 1.00 0.00 O ATOM 1353 CB THR A 92 -1.551 24.033 -6.572 1.00 0.00 C ATOM 1354 OG1 THR A 92 -0.385 23.590 -5.884 1.00 0.00 O ATOM 1355 CG2 THR A 92 -2.742 23.553 -5.735 1.00 0.00 C ATOM 0 H THR A 92 -0.061 22.147 -8.113 1.00 0.00 H new ATOM 0 HA THR A 92 -2.691 23.503 -8.280 1.00 0.00 H new ATOM 0 HB THR A 92 -1.538 25.118 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.392 23.665 -6.476 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.660 23.952 -4.724 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.670 23.901 -6.189 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.744 22.464 -5.696 1.00 0.00 H new ATOM 1363 N THR A 93 -1.611 24.917 -10.019 1.00 0.00 N ATOM 1364 CA THR A 93 -1.045 25.823 -11.010 1.00 0.00 C ATOM 1365 C THR A 93 -2.016 26.989 -11.181 1.00 0.00 C ATOM 1366 O THR A 93 -3.018 26.911 -11.900 1.00 0.00 O ATOM 1367 CB THR A 93 -0.695 25.065 -12.294 1.00 0.00 C ATOM 1368 OG1 THR A 93 0.339 24.142 -11.990 1.00 0.00 O ATOM 1369 CG2 THR A 93 -0.159 25.980 -13.394 1.00 0.00 C ATOM 0 H THR A 93 -2.614 24.770 -10.131 1.00 0.00 H new ATOM 0 HA THR A 93 -0.093 26.245 -10.687 1.00 0.00 H new ATOM 0 HB THR A 93 -1.608 24.589 -12.651 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.816 23.903 -12.812 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.072 25.388 -14.279 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.911 26.728 -13.644 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.745 26.478 -13.045 1.00 0.00 H new ATOM 1377 N GLU A 94 -1.714 28.050 -10.443 1.00 0.00 N ATOM 1378 CA GLU A 94 -2.463 29.281 -10.307 1.00 0.00 C ATOM 1379 C GLU A 94 -2.230 30.121 -11.570 1.00 0.00 C ATOM 1380 O GLU A 94 -1.447 31.076 -11.587 1.00 0.00 O ATOM 1381 CB GLU A 94 -1.983 29.887 -8.983 1.00 0.00 C ATOM 1382 CG GLU A 94 -2.810 31.021 -8.372 1.00 0.00 C ATOM 1383 CD GLU A 94 -2.572 31.046 -6.852 1.00 0.00 C ATOM 1384 OE1 GLU A 94 -1.391 31.022 -6.432 1.00 0.00 O ATOM 1385 OE2 GLU A 94 -3.576 30.981 -6.105 1.00 0.00 O ATOM 0 H GLU A 94 -0.865 28.067 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.547 29.179 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.924 29.083 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.968 30.256 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.526 31.976 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.869 30.873 -8.586 1.00 0.00 H new ATOM 1392 N TYR A 95 -2.915 29.713 -12.649 1.00 0.00 N ATOM 1393 CA TYR A 95 -2.839 30.256 -14.008 1.00 0.00 C ATOM 1394 C TYR A 95 -1.418 30.159 -14.596 1.00 0.00 C ATOM 1395 O TYR A 95 -0.507 29.639 -13.946 1.00 0.00 O ATOM 1396 CB TYR A 95 -3.478 31.666 -14.005 1.00 0.00 C ATOM 1397 CG TYR A 95 -4.991 31.609 -13.916 1.00 0.00 C ATOM 1398 CD1 TYR A 95 -5.730 30.974 -14.935 1.00 0.00 C ATOM 1399 CD2 TYR A 95 -5.655 32.150 -12.798 1.00 0.00 C ATOM 1400 CE1 TYR A 95 -7.124 30.846 -14.818 1.00 0.00 C ATOM 1401 CE2 TYR A 95 -7.052 32.034 -12.684 1.00 0.00 C ATOM 1402 CZ TYR A 95 -7.789 31.361 -13.683 1.00 0.00 C ATOM 1403 OH TYR A 95 -9.125 31.164 -13.528 1.00 0.00 O ATOM 0 H TYR A 95 -3.581 28.943 -12.588 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.420 29.650 -14.703 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.088 32.238 -13.163 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.189 32.196 -14.912 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.224 30.586 -15.806 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.091 32.654 -12.027 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.688 30.353 -15.596 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.561 32.460 -11.832 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.347 30.235 -13.749 1.00 0.00 H new ATOM 1413 N PRO A 96 -1.162 30.615 -15.839 1.00 0.00 N ATOM 1414 CA PRO A 96 0.201 30.735 -16.352 1.00 0.00 C ATOM 1415 C PRO A 96 1.084 31.769 -15.626 1.00 0.00 C ATOM 1416 O PRO A 96 2.139 32.105 -16.161 1.00 0.00 O ATOM 1417 CB PRO A 96 0.070 30.966 -17.866 1.00 0.00 C ATOM 1418 CG PRO A 96 -1.334 31.534 -18.029 1.00 0.00 C ATOM 1419 CD PRO A 96 -2.107 30.801 -16.938 1.00 0.00 C ATOM 0 HA PRO A 96 0.754 29.818 -16.150 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.827 31.660 -18.231 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.193 30.038 -18.424 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.355 32.614 -17.887 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.741 31.335 -19.020 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.973 31.380 -16.616 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -2.480 29.843 -17.299 1.00 0.00 H new ATOM 1427 N THR A 97 0.709 32.253 -14.433 1.00 0.00 N ATOM 1428 CA THR A 97 1.432 33.301 -13.718 1.00 0.00 C ATOM 1429 C THR A 97 2.054 32.806 -12.404 1.00 0.00 C ATOM 1430 O THR A 97 3.046 33.397 -11.978 1.00 0.00 O ATOM 1431 CB THR A 97 0.526 34.537 -13.556 1.00 0.00 C ATOM 1432 OG1 THR A 97 1.279 35.671 -13.187 1.00 0.00 O ATOM 1433 CG2 THR A 97 -0.616 34.349 -12.552 1.00 0.00 C ATOM 0 H THR A 97 -0.117 31.919 -13.936 1.00 0.00 H new ATOM 0 HA THR A 97 2.292 33.603 -14.316 1.00 0.00 H new ATOM 0 HB THR A 97 0.072 34.683 -14.536 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.683 36.443 -13.092 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.206 35.264 -12.497 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.253 33.525 -12.875 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.203 34.124 -11.569 1.00 0.00 H new ATOM 1441 N TYR A 98 1.550 31.740 -11.768 1.00 0.00 N ATOM 1442 CA TYR A 98 2.215 31.133 -10.614 1.00 0.00 C ATOM 1443 C TYR A 98 1.920 29.631 -10.568 1.00 0.00 C ATOM 1444 O TYR A 98 1.218 29.098 -11.432 1.00 0.00 O ATOM 1445 CB TYR A 98 1.832 31.862 -9.310 1.00 0.00 C ATOM 1446 CG TYR A 98 2.998 32.045 -8.349 1.00 0.00 C ATOM 1447 CD1 TYR A 98 3.941 33.068 -8.571 1.00 0.00 C ATOM 1448 CD2 TYR A 98 3.144 31.208 -7.227 1.00 0.00 C ATOM 1449 CE1 TYR A 98 4.996 33.277 -7.660 1.00 0.00 C ATOM 1450 CE2 TYR A 98 4.197 31.408 -6.316 1.00 0.00 C ATOM 1451 CZ TYR A 98 5.112 32.466 -6.508 1.00 0.00 C ATOM 1452 OH TYR A 98 6.101 32.707 -5.602 1.00 0.00 O ATOM 0 H TYR A 98 0.680 31.281 -12.037 1.00 0.00 H new ATOM 0 HA TYR A 98 3.294 31.246 -10.719 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.420 32.840 -9.558 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.043 31.301 -8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.855 33.696 -9.445 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.441 30.405 -7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.718 34.059 -7.843 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.306 30.750 -5.467 1.00 0.00 H new ATOM 0 HH TYR A 98 6.038 32.059 -4.869 1.00 0.00 H new ATOM 1462 N LYS A 99 2.532 28.921 -9.624 1.00 0.00 N ATOM 1463 CA LYS A 99 2.402 27.483 -9.420 1.00 0.00 C ATOM 1464 C LYS A 99 2.948 27.151 -8.042 1.00 0.00 C ATOM 1465 O LYS A 99 3.694 27.949 -7.468 1.00 0.00 O ATOM 1466 CB LYS A 99 3.173 26.704 -10.501 1.00 0.00 C ATOM 1467 CG LYS A 99 4.687 26.996 -10.508 1.00 0.00 C ATOM 1468 CD LYS A 99 5.308 26.577 -11.840 1.00 0.00 C ATOM 1469 CE LYS A 99 6.780 26.990 -11.917 1.00 0.00 C ATOM 1470 NZ LYS A 99 7.283 26.900 -13.303 1.00 0.00 N ATOM 0 H LYS A 99 3.162 29.354 -8.949 1.00 0.00 H new ATOM 0 HA LYS A 99 1.353 27.194 -9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.018 25.636 -10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.759 26.949 -11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.859 28.059 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.170 26.461 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.224 25.497 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.756 27.033 -12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.895 28.010 -11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.376 26.349 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.283 27.185 -13.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.193 25.921 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.727 27.531 -13.916 1.00 0.00 H new ATOM 1484 N ASN A 100 2.662 25.952 -7.543 1.00 0.00 N ATOM 1485 CA ASN A 100 3.212 25.472 -6.284 1.00 0.00 C ATOM 1486 C ASN A 100 3.395 23.969 -6.420 1.00 0.00 C ATOM 1487 O ASN A 100 2.379 23.276 -6.543 1.00 0.00 O ATOM 1488 CB ASN A 100 2.248 25.824 -5.130 1.00 0.00 C ATOM 1489 CG ASN A 100 2.954 26.251 -3.849 1.00 0.00 C ATOM 1490 OD1 ASN A 100 4.135 25.985 -3.621 1.00 0.00 O ATOM 1491 ND2 ASN A 100 2.232 26.979 -3.016 1.00 0.00 N ATOM 0 H ASN A 100 2.041 25.286 -8.003 1.00 0.00 H new ATOM 0 HA ASN A 100 4.170 25.940 -6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.586 26.627 -5.454 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.620 24.959 -4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.650 27.337 -2.157 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.256 27.183 -3.231 1.00 0.00 H new ATOM 1498 N ASP A 101 4.630 23.469 -6.458 1.00 0.00 N ATOM 1499 CA ASP A 101 4.915 22.037 -6.396 1.00 0.00 C ATOM 1500 C ASP A 101 6.258 21.832 -5.708 1.00 0.00 C ATOM 1501 O ASP A 101 7.096 22.730 -5.644 1.00 0.00 O ATOM 1502 CB ASP A 101 4.850 21.338 -7.767 1.00 0.00 C ATOM 1503 CG ASP A 101 6.048 21.601 -8.679 1.00 0.00 C ATOM 1504 OD1 ASP A 101 7.017 20.821 -8.602 1.00 0.00 O ATOM 1505 OD2 ASP A 101 5.946 22.491 -9.562 1.00 0.00 O ATOM 0 H ASP A 101 5.465 24.050 -6.533 1.00 0.00 H new ATOM 0 HA ASP A 101 4.129 21.560 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.762 20.263 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.943 21.659 -8.280 1.00 0.00 H new ATOM 1510 N THR A 102 6.412 20.692 -5.044 1.00 0.00 N ATOM 1511 CA THR A 102 7.591 20.328 -4.266 1.00 0.00 C ATOM 1512 C THR A 102 7.887 18.835 -4.484 1.00 0.00 C ATOM 1513 O THR A 102 7.013 18.009 -4.204 1.00 0.00 O ATOM 1514 CB THR A 102 7.313 20.697 -2.797 1.00 0.00 C ATOM 1515 OG1 THR A 102 6.877 22.050 -2.713 1.00 0.00 O ATOM 1516 CG2 THR A 102 8.537 20.539 -1.897 1.00 0.00 C ATOM 0 H THR A 102 5.693 19.969 -5.032 1.00 0.00 H new ATOM 0 HA THR A 102 8.484 20.869 -4.579 1.00 0.00 H new ATOM 0 HB THR A 102 6.545 20.007 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.700 22.279 -1.777 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.275 20.814 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.873 19.502 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.337 21.187 -2.254 1.00 0.00 H new ATOM 1524 N SER A 103 9.037 18.448 -5.047 1.00 0.00 N ATOM 1525 CA SER A 103 9.394 17.032 -5.172 1.00 0.00 C ATOM 1526 C SER A 103 9.693 16.506 -3.766 1.00 0.00 C ATOM 1527 O SER A 103 10.668 16.936 -3.145 1.00 0.00 O ATOM 1528 CB SER A 103 10.549 16.854 -6.166 1.00 0.00 C ATOM 1529 OG SER A 103 11.563 17.819 -5.983 1.00 0.00 O ATOM 0 H SER A 103 9.733 19.093 -5.422 1.00 0.00 H new ATOM 0 HA SER A 103 8.575 16.443 -5.586 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.974 15.857 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.164 16.922 -7.184 1.00 0.00 H new ATOM 0 HG SER A 103 12.279 17.668 -6.635 1.00 0.00 H new ATOM 1535 N ASP A 104 8.815 15.668 -3.209 1.00 0.00 N ATOM 1536 CA ASP A 104 8.957 15.190 -1.837 1.00 0.00 C ATOM 1537 C ASP A 104 8.363 13.789 -1.688 1.00 0.00 C ATOM 1538 O ASP A 104 7.406 13.414 -2.379 1.00 0.00 O ATOM 1539 CB ASP A 104 8.290 16.180 -0.870 1.00 0.00 C ATOM 1540 CG ASP A 104 8.709 15.960 0.588 1.00 0.00 C ATOM 1541 OD1 ASP A 104 9.653 15.184 0.864 1.00 0.00 O ATOM 1542 OD2 ASP A 104 8.120 16.640 1.457 1.00 0.00 O ATOM 0 H ASP A 104 7.994 15.306 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 104 10.017 15.126 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.544 17.198 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 104 7.207 16.086 -0.950 1.00 0.00 H new ATOM 1547 N TYR A 105 8.919 13.047 -0.741 1.00 0.00 N ATOM 1548 CA TYR A 105 8.815 11.622 -0.521 1.00 0.00 C ATOM 1549 C TYR A 105 7.889 11.422 0.674 1.00 0.00 C ATOM 1550 O TYR A 105 8.121 11.990 1.744 1.00 0.00 O ATOM 1551 CB TYR A 105 10.208 11.047 -0.196 1.00 0.00 C ATOM 1552 CG TYR A 105 11.334 11.297 -1.189 1.00 0.00 C ATOM 1553 CD1 TYR A 105 11.843 12.597 -1.394 1.00 0.00 C ATOM 1554 CD2 TYR A 105 11.934 10.210 -1.858 1.00 0.00 C ATOM 1555 CE1 TYR A 105 12.891 12.820 -2.302 1.00 0.00 C ATOM 1556 CE2 TYR A 105 12.998 10.423 -2.756 1.00 0.00 C ATOM 1557 CZ TYR A 105 13.468 11.735 -2.994 1.00 0.00 C ATOM 1558 OH TYR A 105 14.431 11.982 -3.921 1.00 0.00 O ATOM 0 H TYR A 105 9.516 13.480 -0.037 1.00 0.00 H new ATOM 0 HA TYR A 105 8.428 11.116 -1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 105 10.518 11.449 0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.104 9.969 -0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 105 11.423 13.428 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.575 9.207 -1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.255 13.823 -2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.454 9.585 -3.262 1.00 0.00 H new ATOM 0 HH TYR A 105 14.733 11.136 -4.312 1.00 0.00 H new ATOM 1568 N GLY A 106 6.834 10.632 0.520 1.00 0.00 N ATOM 1569 CA GLY A 106 5.961 10.261 1.617 1.00 0.00 C ATOM 1570 C GLY A 106 6.469 8.959 2.205 1.00 0.00 C ATOM 1571 O GLY A 106 6.345 7.918 1.562 1.00 0.00 O ATOM 0 H GLY A 106 6.562 10.230 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.951 11.043 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.936 10.145 1.265 1.00 0.00 H new ATOM 1575 N PHE A 107 7.097 9.022 3.379 1.00 0.00 N ATOM 1576 CA PHE A 107 7.524 7.818 4.077 1.00 0.00 C ATOM 1577 C PHE A 107 6.299 7.152 4.694 1.00 0.00 C ATOM 1578 O PHE A 107 5.468 7.854 5.279 1.00 0.00 O ATOM 1579 CB PHE A 107 8.565 8.144 5.169 1.00 0.00 C ATOM 1580 CG PHE A 107 9.835 7.329 5.037 1.00 0.00 C ATOM 1581 CD1 PHE A 107 9.765 5.926 4.933 1.00 0.00 C ATOM 1582 CD2 PHE A 107 11.087 7.969 4.965 1.00 0.00 C ATOM 1583 CE1 PHE A 107 10.928 5.175 4.718 1.00 0.00 C ATOM 1584 CE2 PHE A 107 12.253 7.211 4.765 1.00 0.00 C ATOM 1585 CZ PHE A 107 12.170 5.817 4.631 1.00 0.00 C ATOM 0 H PHE A 107 7.319 9.892 3.862 1.00 0.00 H new ATOM 0 HA PHE A 107 7.999 7.142 3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.813 9.204 5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.124 7.963 6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 107 8.811 5.427 5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 107 11.151 9.043 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 107 10.867 4.101 4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 107 13.214 7.702 4.714 1.00 0.00 H new ATOM 0 HZ PHE A 107 13.065 5.238 4.460 1.00 0.00 H new ATOM 1595 N SER A 108 6.230 5.824 4.623 1.00 0.00 N ATOM 1596 CA SER A 108 5.173 5.029 5.222 1.00 0.00 C ATOM 1597 C SER A 108 5.792 3.836 5.969 1.00 0.00 C ATOM 1598 O SER A 108 7.016 3.673 5.983 1.00 0.00 O ATOM 1599 CB SER A 108 4.177 4.620 4.119 1.00 0.00 C ATOM 1600 OG SER A 108 3.778 5.735 3.332 1.00 0.00 O ATOM 0 H SER A 108 6.927 5.262 4.134 1.00 0.00 H new ATOM 0 HA SER A 108 4.614 5.599 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.634 3.866 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.298 4.162 4.573 1.00 0.00 H new ATOM 0 HG SER A 108 2.897 6.046 3.629 1.00 0.00 H new ATOM 1606 N TYR A 109 4.970 3.020 6.636 1.00 0.00 N ATOM 1607 CA TYR A 109 5.243 1.640 7.050 1.00 0.00 C ATOM 1608 C TYR A 109 3.915 1.026 7.509 1.00 0.00 C ATOM 1609 O TYR A 109 2.937 1.758 7.702 1.00 0.00 O ATOM 1610 CB TYR A 109 6.318 1.523 8.155 1.00 0.00 C ATOM 1611 CG TYR A 109 5.989 2.107 9.520 1.00 0.00 C ATOM 1612 CD1 TYR A 109 6.195 3.474 9.777 1.00 0.00 C ATOM 1613 CD2 TYR A 109 5.541 1.272 10.561 1.00 0.00 C ATOM 1614 CE1 TYR A 109 5.964 4.004 11.058 1.00 0.00 C ATOM 1615 CE2 TYR A 109 5.318 1.793 11.846 1.00 0.00 C ATOM 1616 CZ TYR A 109 5.545 3.163 12.108 1.00 0.00 C ATOM 1617 OH TYR A 109 5.306 3.684 13.338 1.00 0.00 O ATOM 0 H TYR A 109 4.038 3.324 6.919 1.00 0.00 H new ATOM 0 HA TYR A 109 5.658 1.099 6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.549 0.466 8.288 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.226 2.005 7.793 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.534 4.123 8.983 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.368 0.223 10.370 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.108 5.059 11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 109 4.972 1.144 12.637 1.00 0.00 H new ATOM 0 HH TYR A 109 5.024 2.970 13.947 1.00 0.00 H new ATOM 1627 N GLY A 110 3.874 -0.296 7.695 1.00 0.00 N ATOM 1628 CA GLY A 110 2.670 -1.029 8.063 1.00 0.00 C ATOM 1629 C GLY A 110 2.961 -2.519 8.204 1.00 0.00 C ATOM 1630 O GLY A 110 4.127 -2.919 8.260 1.00 0.00 O ATOM 0 H GLY A 110 4.694 -0.893 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 110 2.276 -0.641 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.900 -0.875 7.307 1.00 0.00 H new ATOM 1634 N ALA A 111 1.912 -3.341 8.260 1.00 0.00 N ATOM 1635 CA ALA A 111 1.990 -4.797 8.183 1.00 0.00 C ATOM 1636 C ALA A 111 0.885 -5.299 7.247 1.00 0.00 C ATOM 1637 O ALA A 111 -0.095 -4.579 7.018 1.00 0.00 O ATOM 1638 CB ALA A 111 1.858 -5.392 9.590 1.00 0.00 C ATOM 0 H ALA A 111 0.956 -2.999 8.363 1.00 0.00 H new ATOM 0 HA ALA A 111 2.953 -5.112 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.916 -6.479 9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.665 -5.018 10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 111 0.899 -5.102 10.019 1.00 0.00 H new ATOM 1644 N GLY A 112 1.042 -6.506 6.699 1.00 0.00 N ATOM 1645 CA GLY A 112 0.144 -7.094 5.705 1.00 0.00 C ATOM 1646 C GLY A 112 -0.582 -8.280 6.319 1.00 0.00 C ATOM 1647 O GLY A 112 0.079 -9.264 6.670 1.00 0.00 O ATOM 0 H GLY A 112 1.821 -7.118 6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.576 -6.350 5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.711 -7.414 4.831 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.904 -8.196 6.498 1.00 0.00 N ATOM 1652 CA LEU A 113 -2.683 -9.113 7.328 1.00 0.00 C ATOM 1653 C LEU A 113 -3.718 -9.831 6.457 1.00 0.00 C ATOM 1654 O LEU A 113 -4.353 -9.233 5.592 1.00 0.00 O ATOM 1655 CB LEU A 113 -3.384 -8.327 8.454 1.00 0.00 C ATOM 1656 CG LEU A 113 -2.538 -7.896 9.673 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -2.100 -9.071 10.546 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -1.290 -7.067 9.353 1.00 0.00 C ATOM 0 H LEU A 113 -2.472 -7.472 6.059 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.021 -9.853 7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.818 -7.429 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.212 -8.934 8.820 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.237 -7.256 10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.510 -8.701 11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.980 -9.592 10.923 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.497 -9.759 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.771 -6.819 10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.626 -7.643 8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.584 -6.149 8.844 1.00 0.00 H new ATOM 1670 N GLN A 114 -3.926 -11.121 6.712 1.00 0.00 N ATOM 1671 CA GLN A 114 -4.734 -11.988 5.867 1.00 0.00 C ATOM 1672 C GLN A 114 -5.937 -12.504 6.650 1.00 0.00 C ATOM 1673 O GLN A 114 -5.779 -12.981 7.777 1.00 0.00 O ATOM 1674 CB GLN A 114 -3.816 -13.118 5.394 1.00 0.00 C ATOM 1675 CG GLN A 114 -4.547 -14.264 4.687 1.00 0.00 C ATOM 1676 CD GLN A 114 -3.547 -15.188 4.011 1.00 0.00 C ATOM 1677 OE1 GLN A 114 -2.444 -15.392 4.512 1.00 0.00 O ATOM 1678 NE2 GLN A 114 -3.859 -15.667 2.819 1.00 0.00 N ATOM 0 H GLN A 114 -3.531 -11.597 7.523 1.00 0.00 H new ATOM 0 HA GLN A 114 -5.137 -11.459 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -3.069 -12.705 4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -3.279 -13.519 6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -5.142 -14.825 5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -5.239 -13.862 3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -4.781 -15.486 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -3.178 -16.218 2.297 1.00 0.00 H new ATOM 1687 N PHE A 115 -7.122 -12.471 6.037 1.00 0.00 N ATOM 1688 CA PHE A 115 -8.323 -13.120 6.554 1.00 0.00 C ATOM 1689 C PHE A 115 -8.427 -14.521 5.930 1.00 0.00 C ATOM 1690 O PHE A 115 -7.659 -14.855 5.024 1.00 0.00 O ATOM 1691 CB PHE A 115 -9.549 -12.251 6.224 1.00 0.00 C ATOM 1692 CG PHE A 115 -10.524 -12.067 7.372 1.00 0.00 C ATOM 1693 CD1 PHE A 115 -10.180 -11.223 8.448 1.00 0.00 C ATOM 1694 CD2 PHE A 115 -11.796 -12.672 7.336 1.00 0.00 C ATOM 1695 CE1 PHE A 115 -11.110 -10.968 9.469 1.00 0.00 C ATOM 1696 CE2 PHE A 115 -12.737 -12.386 8.343 1.00 0.00 C ATOM 1697 CZ PHE A 115 -12.393 -11.533 9.405 1.00 0.00 C ATOM 0 H PHE A 115 -7.274 -11.984 5.154 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.277 -13.229 7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -9.204 -11.270 5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -10.079 -12.699 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.200 -10.772 8.487 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.048 -13.354 6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.838 -10.338 10.303 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -13.724 -12.822 8.299 1.00 0.00 H new ATOM 0 HZ PHE A 115 -13.118 -11.311 10.174 1.00 0.00 H new ATOM 1707 N ASN A 116 -9.360 -15.345 6.415 1.00 0.00 N ATOM 1708 CA ASN A 116 -9.496 -16.743 5.993 1.00 0.00 C ATOM 1709 C ASN A 116 -9.698 -16.867 4.478 1.00 0.00 C ATOM 1710 O ASN A 116 -10.687 -16.336 3.968 1.00 0.00 O ATOM 1711 CB ASN A 116 -10.651 -17.448 6.725 1.00 0.00 C ATOM 1712 CG ASN A 116 -10.205 -18.155 7.998 1.00 0.00 C ATOM 1713 OD1 ASN A 116 -9.061 -18.063 8.438 1.00 0.00 O ATOM 1714 ND2 ASN A 116 -11.112 -18.862 8.643 1.00 0.00 N ATOM 0 H ASN A 116 -10.046 -15.060 7.115 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.560 -17.234 6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.418 -16.715 6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.110 -18.174 6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.866 -19.336 9.512 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.060 -18.935 8.273 1.00 0.00 H new ATOM 1721 N PRO A 117 -8.786 -17.531 3.748 1.00 0.00 N ATOM 1722 CA PRO A 117 -8.991 -17.881 2.352 1.00 0.00 C ATOM 1723 C PRO A 117 -9.854 -19.144 2.179 1.00 0.00 C ATOM 1724 O PRO A 117 -10.168 -19.850 3.141 1.00 0.00 O ATOM 1725 CB PRO A 117 -7.582 -18.067 1.794 1.00 0.00 C ATOM 1726 CG PRO A 117 -6.688 -18.413 2.985 1.00 0.00 C ATOM 1727 CD PRO A 117 -7.504 -18.042 4.217 1.00 0.00 C ATOM 0 HA PRO A 117 -9.546 -17.108 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -7.561 -18.862 1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.237 -17.159 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.429 -19.472 2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.752 -17.856 2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.648 -18.911 4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.984 -17.290 4.811 1.00 0.00 H new ATOM 1735 N MET A 118 -10.254 -19.407 0.934 1.00 0.00 N ATOM 1736 CA MET A 118 -11.031 -20.525 0.416 1.00 0.00 C ATOM 1737 C MET A 118 -10.627 -20.698 -1.060 1.00 0.00 C ATOM 1738 O MET A 118 -10.167 -19.769 -1.705 1.00 0.00 O ATOM 1739 CB MET A 118 -12.534 -20.197 0.480 1.00 0.00 C ATOM 1740 CG MET A 118 -13.116 -20.054 1.889 1.00 0.00 C ATOM 1741 SD MET A 118 -14.704 -19.193 1.944 1.00 0.00 S ATOM 1742 CE MET A 118 -14.952 -19.192 3.735 1.00 0.00 C ATOM 0 H MET A 118 -10.011 -18.764 0.180 1.00 0.00 H new ATOM 0 HA MET A 118 -10.844 -21.427 0.999 1.00 0.00 H new ATOM 0 HB2 MET A 118 -12.709 -19.268 -0.063 1.00 0.00 H new ATOM 0 HB3 MET A 118 -13.082 -20.981 -0.043 1.00 0.00 H new ATOM 0 HG2 MET A 118 -13.237 -21.046 2.323 1.00 0.00 H new ATOM 0 HG3 MET A 118 -12.402 -19.518 2.513 1.00 0.00 H new ATOM 0 HE1 MET A 118 -15.894 -18.697 3.972 1.00 0.00 H new ATOM 0 HE2 MET A 118 -14.981 -20.219 4.099 1.00 0.00 H new ATOM 0 HE3 MET A 118 -14.131 -18.660 4.216 1.00 0.00 H new ATOM 1752 N GLU A 119 -10.924 -21.840 -1.657 1.00 0.00 N ATOM 1753 CA GLU A 119 -10.507 -22.334 -2.980 1.00 0.00 C ATOM 1754 C GLU A 119 -10.970 -21.466 -4.155 1.00 0.00 C ATOM 1755 O GLU A 119 -10.618 -21.721 -5.307 1.00 0.00 O ATOM 1756 CB GLU A 119 -11.051 -23.760 -3.174 1.00 0.00 C ATOM 1757 CG GLU A 119 -10.320 -24.784 -2.306 1.00 0.00 C ATOM 1758 CD GLU A 119 -10.881 -26.192 -2.489 1.00 0.00 C ATOM 1759 OE1 GLU A 119 -10.930 -26.707 -3.625 1.00 0.00 O ATOM 1760 OE2 GLU A 119 -11.210 -26.829 -1.457 1.00 0.00 O ATOM 0 H GLU A 119 -11.523 -22.520 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.417 -22.305 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.114 -23.777 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.957 -24.043 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.259 -24.781 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -10.401 -24.495 -1.258 1.00 0.00 H new ATOM 1767 N ASN A 120 -11.765 -20.437 -3.885 1.00 0.00 N ATOM 1768 CA ASN A 120 -12.148 -19.434 -4.852 1.00 0.00 C ATOM 1769 C ASN A 120 -12.286 -18.046 -4.201 1.00 0.00 C ATOM 1770 O ASN A 120 -12.778 -17.135 -4.863 1.00 0.00 O ATOM 1771 CB ASN A 120 -13.438 -19.883 -5.555 1.00 0.00 C ATOM 1772 CG ASN A 120 -14.637 -19.620 -4.664 1.00 0.00 C ATOM 1773 OD1 ASN A 120 -15.012 -20.426 -3.818 1.00 0.00 O ATOM 1774 ND2 ASN A 120 -15.202 -18.439 -4.769 1.00 0.00 N ATOM 0 H ASN A 120 -12.168 -20.280 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 120 -11.363 -19.334 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -13.552 -19.349 -6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -13.380 -20.945 -5.795 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -15.964 -18.181 -4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -14.879 -17.780 -5.477 1.00 0.00 H new ATOM 1781 N VAL A 121 -11.889 -17.852 -2.938 1.00 0.00 N ATOM 1782 CA VAL A 121 -12.059 -16.605 -2.195 1.00 0.00 C ATOM 1783 C VAL A 121 -10.797 -16.350 -1.359 1.00 0.00 C ATOM 1784 O VAL A 121 -10.256 -17.266 -0.758 1.00 0.00 O ATOM 1785 CB VAL A 121 -13.367 -16.716 -1.368 1.00 0.00 C ATOM 1786 CG1 VAL A 121 -13.288 -16.158 0.059 1.00 0.00 C ATOM 1787 CG2 VAL A 121 -14.533 -16.083 -2.132 1.00 0.00 C ATOM 0 H VAL A 121 -11.428 -18.580 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 121 -12.168 -15.738 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 121 -13.535 -17.785 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.252 -16.283 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -12.522 -16.695 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -13.034 -15.099 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -15.444 -16.168 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -14.318 -15.031 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -14.668 -16.599 -3.083 1.00 0.00 H new ATOM 1797 N ALA A 122 -10.312 -15.119 -1.264 1.00 0.00 N ATOM 1798 CA ALA A 122 -9.385 -14.724 -0.209 1.00 0.00 C ATOM 1799 C ALA A 122 -9.632 -13.265 0.092 1.00 0.00 C ATOM 1800 O ALA A 122 -10.090 -12.534 -0.785 1.00 0.00 O ATOM 1801 CB ALA A 122 -7.927 -14.932 -0.627 1.00 0.00 C ATOM 0 H ALA A 122 -10.548 -14.368 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.555 -15.343 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -7.268 -14.626 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.760 -15.985 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -7.713 -14.333 -1.512 1.00 0.00 H new ATOM 1807 N LEU A 123 -9.318 -12.830 1.308 1.00 0.00 N ATOM 1808 CA LEU A 123 -9.415 -11.439 1.718 1.00 0.00 C ATOM 1809 C LEU A 123 -8.070 -11.114 2.365 1.00 0.00 C ATOM 1810 O LEU A 123 -7.566 -11.904 3.172 1.00 0.00 O ATOM 1811 CB LEU A 123 -10.597 -11.162 2.678 1.00 0.00 C ATOM 1812 CG LEU A 123 -11.781 -12.152 2.769 1.00 0.00 C ATOM 1813 CD1 LEU A 123 -12.738 -11.664 3.860 1.00 0.00 C ATOM 1814 CD2 LEU A 123 -12.646 -12.309 1.512 1.00 0.00 C ATOM 0 H LEU A 123 -8.983 -13.448 2.047 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.622 -10.801 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -10.181 -11.064 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.010 -10.190 2.408 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.305 -13.115 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.581 -12.351 3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -12.212 -11.624 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.103 -10.669 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.441 -13.030 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.085 -11.346 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -12.028 -12.663 0.687 1.00 0.00 H new ATOM 1826 N ASP A 124 -7.467 -9.987 2.001 1.00 0.00 N ATOM 1827 CA ASP A 124 -6.225 -9.508 2.601 1.00 0.00 C ATOM 1828 C ASP A 124 -6.333 -7.998 2.741 1.00 0.00 C ATOM 1829 O ASP A 124 -6.705 -7.294 1.794 1.00 0.00 O ATOM 1830 CB ASP A 124 -5.009 -9.905 1.754 1.00 0.00 C ATOM 1831 CG ASP A 124 -3.695 -9.428 2.372 1.00 0.00 C ATOM 1832 OD1 ASP A 124 -3.336 -8.240 2.208 1.00 0.00 O ATOM 1833 OD2 ASP A 124 -2.966 -10.275 2.940 1.00 0.00 O ATOM 0 H ASP A 124 -7.831 -9.373 1.272 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.080 -9.965 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.984 -10.989 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -5.112 -9.484 0.754 1.00 0.00 H new ATOM 1838 N PHE A 125 -6.022 -7.497 3.930 1.00 0.00 N ATOM 1839 CA PHE A 125 -6.188 -6.108 4.303 1.00 0.00 C ATOM 1840 C PHE A 125 -4.884 -5.612 4.893 1.00 0.00 C ATOM 1841 O PHE A 125 -4.076 -6.370 5.438 1.00 0.00 O ATOM 1842 CB PHE A 125 -7.364 -5.921 5.266 1.00 0.00 C ATOM 1843 CG PHE A 125 -7.154 -6.422 6.685 1.00 0.00 C ATOM 1844 CD1 PHE A 125 -7.040 -7.799 6.956 1.00 0.00 C ATOM 1845 CD2 PHE A 125 -7.127 -5.501 7.750 1.00 0.00 C ATOM 1846 CE1 PHE A 125 -6.882 -8.247 8.277 1.00 0.00 C ATOM 1847 CE2 PHE A 125 -6.994 -5.951 9.074 1.00 0.00 C ATOM 1848 CZ PHE A 125 -6.858 -7.324 9.338 1.00 0.00 C ATOM 0 H PHE A 125 -5.635 -8.069 4.681 1.00 0.00 H new ATOM 0 HA PHE A 125 -6.429 -5.516 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -7.606 -4.859 5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -8.233 -6.429 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -7.074 -8.512 6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -7.209 -4.443 7.548 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -6.779 -9.303 8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.996 -5.242 9.889 1.00 0.00 H new ATOM 0 HZ PHE A 125 -6.735 -7.670 10.354 1.00 0.00 H new ATOM 1858 N SER A 126 -4.640 -4.322 4.744 1.00 0.00 N ATOM 1859 CA SER A 126 -3.483 -3.724 5.359 1.00 0.00 C ATOM 1860 C SER A 126 -3.804 -2.308 5.781 1.00 0.00 C ATOM 1861 O SER A 126 -4.765 -1.696 5.312 1.00 0.00 O ATOM 1862 CB SER A 126 -2.267 -3.843 4.436 1.00 0.00 C ATOM 1863 OG SER A 126 -2.546 -3.847 3.044 1.00 0.00 O ATOM 0 H SER A 126 -5.224 -3.680 4.208 1.00 0.00 H new ATOM 0 HA SER A 126 -3.215 -4.261 6.269 1.00 0.00 H new ATOM 0 HB2 SER A 126 -1.590 -3.016 4.649 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.735 -4.762 4.683 1.00 0.00 H new ATOM 0 HG SER A 126 -1.712 -3.732 2.543 1.00 0.00 H new ATOM 1869 N TYR A 127 -2.974 -1.781 6.663 1.00 0.00 N ATOM 1870 CA TYR A 127 -2.980 -0.392 7.033 1.00 0.00 C ATOM 1871 C TYR A 127 -1.531 0.058 6.932 1.00 0.00 C ATOM 1872 O TYR A 127 -0.608 -0.677 7.306 1.00 0.00 O ATOM 1873 CB TYR A 127 -3.603 -0.230 8.424 1.00 0.00 C ATOM 1874 CG TYR A 127 -2.867 -0.889 9.579 1.00 0.00 C ATOM 1875 CD1 TYR A 127 -3.126 -2.225 9.945 1.00 0.00 C ATOM 1876 CD2 TYR A 127 -1.951 -0.135 10.330 1.00 0.00 C ATOM 1877 CE1 TYR A 127 -2.464 -2.797 11.048 1.00 0.00 C ATOM 1878 CE2 TYR A 127 -1.307 -0.687 11.449 1.00 0.00 C ATOM 1879 CZ TYR A 127 -1.556 -2.027 11.810 1.00 0.00 C ATOM 1880 OH TYR A 127 -0.968 -2.549 12.919 1.00 0.00 O ATOM 0 H TYR A 127 -2.263 -2.327 7.149 1.00 0.00 H new ATOM 0 HA TYR A 127 -3.592 0.235 6.385 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -3.688 0.836 8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.616 -0.631 8.392 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.834 -2.811 9.378 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -1.739 0.884 10.043 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.651 -3.827 11.313 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -0.623 -0.087 12.031 1.00 0.00 H new ATOM 0 HH TYR A 127 -0.372 -1.881 13.319 1.00 0.00 H new ATOM 1890 N GLU A 128 -1.337 1.238 6.356 1.00 0.00 N ATOM 1891 CA GLU A 128 -0.064 1.920 6.262 1.00 0.00 C ATOM 1892 C GLU A 128 -0.398 3.371 6.601 1.00 0.00 C ATOM 1893 O GLU A 128 -1.376 3.919 6.088 1.00 0.00 O ATOM 1894 CB GLU A 128 0.583 1.742 4.865 1.00 0.00 C ATOM 1895 CG GLU A 128 1.210 0.345 4.685 1.00 0.00 C ATOM 1896 CD GLU A 128 1.711 0.023 3.270 1.00 0.00 C ATOM 1897 OE1 GLU A 128 0.892 -0.361 2.399 1.00 0.00 O ATOM 1898 OE2 GLU A 128 2.938 0.077 3.033 1.00 0.00 O ATOM 0 H GLU A 128 -2.098 1.763 5.925 1.00 0.00 H new ATOM 0 HA GLU A 128 0.688 1.518 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -0.171 1.901 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 128 1.350 2.503 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.046 0.249 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.472 -0.405 4.970 1.00 0.00 H new ATOM 1905 N GLN A 129 0.386 3.985 7.483 1.00 0.00 N ATOM 1906 CA GLN A 129 0.300 5.422 7.726 1.00 0.00 C ATOM 1907 C GLN A 129 1.428 6.049 6.926 1.00 0.00 C ATOM 1908 O GLN A 129 2.452 5.401 6.695 1.00 0.00 O ATOM 1909 CB GLN A 129 0.481 5.739 9.217 1.00 0.00 C ATOM 1910 CG GLN A 129 -0.781 5.424 10.026 1.00 0.00 C ATOM 1911 CD GLN A 129 -0.469 5.445 11.519 1.00 0.00 C ATOM 1912 OE1 GLN A 129 -0.220 4.406 12.131 1.00 0.00 O ATOM 1913 NE2 GLN A 129 -0.364 6.613 12.120 1.00 0.00 N ATOM 0 H GLN A 129 1.091 3.507 8.044 1.00 0.00 H new ATOM 0 HA GLN A 129 -0.675 5.809 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 129 1.318 5.163 9.611 1.00 0.00 H new ATOM 0 HB3 GLN A 129 0.735 6.792 9.336 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -1.559 6.154 9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -1.169 4.446 9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -0.572 7.470 11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -0.075 6.660 13.097 1.00 0.00 H new ATOM 1922 N SER A 130 1.265 7.312 6.561 1.00 0.00 N ATOM 1923 CA SER A 130 2.148 8.020 5.659 1.00 0.00 C ATOM 1924 C SER A 130 2.421 9.400 6.246 1.00 0.00 C ATOM 1925 O SER A 130 1.570 9.956 6.937 1.00 0.00 O ATOM 1926 CB SER A 130 1.465 8.095 4.290 1.00 0.00 C ATOM 1927 OG SER A 130 1.304 6.793 3.742 1.00 0.00 O ATOM 0 H SER A 130 0.491 7.885 6.896 1.00 0.00 H new ATOM 0 HA SER A 130 3.105 7.513 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.493 8.578 4.388 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.059 8.710 3.614 1.00 0.00 H new ATOM 0 HG SER A 130 0.865 6.858 2.868 1.00 0.00 H new ATOM 1933 N ARG A 131 3.602 9.965 5.993 1.00 0.00 N ATOM 1934 CA ARG A 131 3.963 11.279 6.513 1.00 0.00 C ATOM 1935 C ARG A 131 4.665 12.066 5.423 1.00 0.00 C ATOM 1936 O ARG A 131 5.692 11.626 4.891 1.00 0.00 O ATOM 1937 CB ARG A 131 4.743 11.143 7.832 1.00 0.00 C ATOM 1938 CG ARG A 131 6.143 10.510 7.714 1.00 0.00 C ATOM 1939 CD ARG A 131 6.622 9.977 9.070 1.00 0.00 C ATOM 1940 NE ARG A 131 5.909 8.740 9.437 1.00 0.00 N ATOM 1941 CZ ARG A 131 5.427 8.411 10.643 1.00 0.00 C ATOM 1942 NH1 ARG A 131 5.675 9.154 11.718 1.00 0.00 N ATOM 1943 NH2 ARG A 131 4.703 7.307 10.754 1.00 0.00 N ATOM 0 H ARG A 131 4.328 9.527 5.426 1.00 0.00 H new ATOM 0 HA ARG A 131 3.077 11.856 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 131 4.848 12.133 8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 131 4.150 10.545 8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 131 6.118 9.697 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 131 6.850 11.250 7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 131 7.694 9.784 9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 131 6.463 10.734 9.838 1.00 0.00 H new ATOM 0 HE ARG A 131 5.767 8.060 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 131 6.244 9.996 11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 131 5.296 8.881 12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 131 4.524 6.730 9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 131 4.325 7.034 11.661 1.00 0.00 H new ATOM 1957 N ILE A 132 4.076 13.196 5.040 1.00 0.00 N ATOM 1958 CA ILE A 132 4.568 14.076 3.992 1.00 0.00 C ATOM 1959 C ILE A 132 4.734 15.437 4.646 1.00 0.00 C ATOM 1960 O ILE A 132 3.758 16.127 4.915 1.00 0.00 O ATOM 1961 CB ILE A 132 3.626 14.057 2.760 1.00 0.00 C ATOM 1962 CG1 ILE A 132 3.809 12.714 2.019 1.00 0.00 C ATOM 1963 CG2 ILE A 132 3.924 15.204 1.772 1.00 0.00 C ATOM 1964 CD1 ILE A 132 2.726 12.396 0.989 1.00 0.00 C ATOM 0 H ILE A 132 3.213 13.533 5.468 1.00 0.00 H new ATOM 0 HA ILE A 132 5.527 13.757 3.583 1.00 0.00 H new ATOM 0 HB ILE A 132 2.606 14.183 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.777 12.721 1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 132 3.838 11.910 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 132 3.237 15.145 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 132 3.797 16.162 2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.949 15.117 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.940 11.435 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 132 1.756 12.351 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.709 13.175 0.226 1.00 0.00 H new ATOM 1976 N ARG A 133 5.980 15.825 4.909 1.00 0.00 N ATOM 1977 CA ARG A 133 6.369 17.166 5.329 1.00 0.00 C ATOM 1978 C ARG A 133 5.532 17.702 6.494 1.00 0.00 C ATOM 1979 O ARG A 133 5.065 18.841 6.459 1.00 0.00 O ATOM 1980 CB ARG A 133 6.385 18.073 4.078 1.00 0.00 C ATOM 1981 CG ARG A 133 7.705 18.825 3.945 1.00 0.00 C ATOM 1982 CD ARG A 133 7.872 19.937 4.975 1.00 0.00 C ATOM 1983 NE ARG A 133 9.273 20.338 5.074 1.00 0.00 N ATOM 1984 CZ ARG A 133 9.773 21.298 5.846 1.00 0.00 C ATOM 1985 NH1 ARG A 133 8.975 22.084 6.563 1.00 0.00 N ATOM 1986 NH2 ARG A 133 11.092 21.429 5.896 1.00 0.00 N ATOM 0 H ARG A 133 6.774 15.190 4.832 1.00 0.00 H new ATOM 0 HA ARG A 133 7.374 17.144 5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 133 6.220 17.467 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 133 5.563 18.787 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 133 8.529 18.119 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 133 7.772 19.253 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 133 7.261 20.795 4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 133 7.516 19.596 5.947 1.00 0.00 H new ATOM 0 HE ARG A 133 9.937 19.829 4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 133 7.964 21.955 6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 133 9.374 22.816 7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.688 20.804 5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 133 11.511 22.155 6.478 1.00 0.00 H new ATOM 2000 N SER A 134 5.406 16.917 7.565 1.00 0.00 N ATOM 2001 CA SER A 134 4.716 17.282 8.801 1.00 0.00 C ATOM 2002 C SER A 134 3.187 17.232 8.630 1.00 0.00 C ATOM 2003 O SER A 134 2.471 17.693 9.521 1.00 0.00 O ATOM 2004 CB SER A 134 5.221 18.652 9.309 1.00 0.00 C ATOM 2005 OG SER A 134 5.370 18.721 10.716 1.00 0.00 O ATOM 0 H SER A 134 5.796 15.975 7.596 1.00 0.00 H new ATOM 0 HA SER A 134 4.954 16.545 9.568 1.00 0.00 H new ATOM 0 HB2 SER A 134 6.180 18.872 8.840 1.00 0.00 H new ATOM 0 HB3 SER A 134 4.525 19.427 8.988 1.00 0.00 H new ATOM 0 HG SER A 134 5.693 19.611 10.967 1.00 0.00 H new ATOM 2011 N VAL A 135 2.668 16.691 7.521 1.00 0.00 N ATOM 2012 CA VAL A 135 1.268 16.321 7.345 1.00 0.00 C ATOM 2013 C VAL A 135 1.168 14.833 7.675 1.00 0.00 C ATOM 2014 O VAL A 135 1.833 14.009 7.037 1.00 0.00 O ATOM 2015 CB VAL A 135 0.761 16.634 5.921 1.00 0.00 C ATOM 2016 CG1 VAL A 135 -0.763 16.459 5.838 1.00 0.00 C ATOM 2017 CG2 VAL A 135 1.095 18.079 5.526 1.00 0.00 C ATOM 0 H VAL A 135 3.235 16.494 6.696 1.00 0.00 H new ATOM 0 HA VAL A 135 0.629 16.906 8.007 1.00 0.00 H new ATOM 0 HB VAL A 135 1.256 15.940 5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.101 16.684 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -1.025 15.431 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -1.246 17.138 6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 135 0.728 18.275 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.620 18.767 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 135 2.175 18.223 5.553 1.00 0.00 H new ATOM 2027 N ASP A 136 0.367 14.502 8.685 1.00 0.00 N ATOM 2028 CA ASP A 136 -0.026 13.135 8.982 1.00 0.00 C ATOM 2029 C ASP A 136 -0.997 12.711 7.887 1.00 0.00 C ATOM 2030 O ASP A 136 -1.923 13.462 7.559 1.00 0.00 O ATOM 2031 CB ASP A 136 -0.728 13.037 10.349 1.00 0.00 C ATOM 2032 CG ASP A 136 0.217 12.997 11.547 1.00 0.00 C ATOM 2033 OD1 ASP A 136 1.112 12.126 11.585 1.00 0.00 O ATOM 2034 OD2 ASP A 136 0.076 13.814 12.488 1.00 0.00 O ATOM 0 H ASP A 136 -0.030 15.188 9.326 1.00 0.00 H new ATOM 0 HA ASP A 136 0.855 12.494 9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -1.399 13.889 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -1.347 12.140 10.361 1.00 0.00 H new ATOM 2039 N VAL A 137 -0.800 11.523 7.323 1.00 0.00 N ATOM 2040 CA VAL A 137 -1.712 10.892 6.382 1.00 0.00 C ATOM 2041 C VAL A 137 -1.880 9.438 6.845 1.00 0.00 C ATOM 2042 O VAL A 137 -1.053 8.883 7.578 1.00 0.00 O ATOM 2043 CB VAL A 137 -1.182 11.067 4.933 1.00 0.00 C ATOM 2044 CG1 VAL A 137 -2.034 10.342 3.879 1.00 0.00 C ATOM 2045 CG2 VAL A 137 -1.118 12.551 4.528 1.00 0.00 C ATOM 0 H VAL A 137 0.026 10.957 7.516 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.700 11.353 6.364 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.186 10.624 4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.607 10.507 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.048 9.274 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -3.052 10.731 3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.743 12.634 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -2.116 12.987 4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.451 13.084 5.205 1.00 0.00 H new ATOM 2055 N GLY A 138 -2.982 8.816 6.452 1.00 0.00 N ATOM 2056 CA GLY A 138 -3.280 7.415 6.671 1.00 0.00 C ATOM 2057 C GLY A 138 -3.967 6.851 5.439 1.00 0.00 C ATOM 2058 O GLY A 138 -4.633 7.590 4.717 1.00 0.00 O ATOM 0 H GLY A 138 -3.725 9.300 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -2.362 6.863 6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -3.922 7.300 7.545 1.00 0.00 H new ATOM 2062 N THR A 139 -3.820 5.555 5.190 1.00 0.00 N ATOM 2063 CA THR A 139 -4.612 4.826 4.215 1.00 0.00 C ATOM 2064 C THR A 139 -4.933 3.453 4.821 1.00 0.00 C ATOM 2065 O THR A 139 -4.225 2.972 5.715 1.00 0.00 O ATOM 2066 CB THR A 139 -3.883 4.837 2.852 1.00 0.00 C ATOM 2067 OG1 THR A 139 -4.620 4.189 1.830 1.00 0.00 O ATOM 2068 CG2 THR A 139 -2.490 4.205 2.883 1.00 0.00 C ATOM 0 H THR A 139 -3.134 4.974 5.671 1.00 0.00 H new ATOM 0 HA THR A 139 -5.575 5.286 3.995 1.00 0.00 H new ATOM 0 HB THR A 139 -3.784 5.900 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 139 -4.116 4.226 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 139 -2.047 4.253 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 139 -1.860 4.748 3.588 1.00 0.00 H new ATOM 0 HG23 THR A 139 -2.570 3.164 3.195 1.00 0.00 H new ATOM 2076 N TRP A 140 -6.037 2.846 4.386 1.00 0.00 N ATOM 2077 CA TRP A 140 -6.504 1.547 4.844 1.00 0.00 C ATOM 2078 C TRP A 140 -6.944 0.766 3.612 1.00 0.00 C ATOM 2079 O TRP A 140 -7.833 1.202 2.879 1.00 0.00 O ATOM 2080 CB TRP A 140 -7.610 1.703 5.904 1.00 0.00 C ATOM 2081 CG TRP A 140 -8.641 2.785 5.695 1.00 0.00 C ATOM 2082 CD1 TRP A 140 -9.653 2.757 4.796 1.00 0.00 C ATOM 2083 CD2 TRP A 140 -8.773 4.069 6.386 1.00 0.00 C ATOM 2084 NE1 TRP A 140 -10.360 3.940 4.846 1.00 0.00 N ATOM 2085 CE2 TRP A 140 -9.846 4.798 5.791 1.00 0.00 C ATOM 2086 CE3 TRP A 140 -8.099 4.697 7.455 1.00 0.00 C ATOM 2087 CZ2 TRP A 140 -10.197 6.096 6.194 1.00 0.00 C ATOM 2088 CZ3 TRP A 140 -8.464 5.986 7.888 1.00 0.00 C ATOM 2089 CH2 TRP A 140 -9.493 6.697 7.249 1.00 0.00 C ATOM 0 H TRP A 140 -6.647 3.262 3.683 1.00 0.00 H new ATOM 0 HA TRP A 140 -5.712 0.991 5.346 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -8.135 0.751 5.982 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -7.129 1.881 6.866 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -9.874 1.930 4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -11.164 4.153 4.256 1.00 0.00 H new ATOM 0 HE3 TRP A 140 -7.290 4.180 7.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -10.998 6.625 5.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 -7.946 6.434 8.723 1.00 0.00 H new ATOM 0 HH2 TRP A 140 -9.741 7.699 7.567 1.00 0.00 H new ATOM 2100 N ILE A 141 -6.301 -0.367 3.349 1.00 0.00 N ATOM 2101 CA ILE A 141 -6.492 -1.208 2.173 1.00 0.00 C ATOM 2102 C ILE A 141 -7.397 -2.364 2.583 1.00 0.00 C ATOM 2103 O ILE A 141 -7.197 -2.960 3.645 1.00 0.00 O ATOM 2104 CB ILE A 141 -5.104 -1.704 1.706 1.00 0.00 C ATOM 2105 CG1 ILE A 141 -4.208 -0.531 1.235 1.00 0.00 C ATOM 2106 CG2 ILE A 141 -5.204 -2.754 0.582 1.00 0.00 C ATOM 2107 CD1 ILE A 141 -2.747 -0.782 1.590 1.00 0.00 C ATOM 0 H ILE A 141 -5.596 -0.743 3.983 1.00 0.00 H new ATOM 0 HA ILE A 141 -6.957 -0.671 1.346 1.00 0.00 H new ATOM 0 HB ILE A 141 -4.647 -2.176 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -4.307 -0.403 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.544 0.397 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -4.203 -3.070 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -5.767 -3.616 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.713 -2.319 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -2.140 0.056 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.648 -0.885 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -2.407 -1.697 1.106 1.00 0.00 H new ATOM 2119 N ALA A 142 -8.375 -2.694 1.742 1.00 0.00 N ATOM 2120 CA ALA A 142 -9.163 -3.910 1.845 1.00 0.00 C ATOM 2121 C ALA A 142 -9.370 -4.421 0.425 1.00 0.00 C ATOM 2122 O ALA A 142 -9.611 -3.620 -0.485 1.00 0.00 O ATOM 2123 CB ALA A 142 -10.501 -3.627 2.534 1.00 0.00 C ATOM 0 H ALA A 142 -8.644 -2.106 0.953 1.00 0.00 H new ATOM 0 HA ALA A 142 -8.653 -4.660 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -11.077 -4.550 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -10.319 -3.238 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -11.060 -2.892 1.955 1.00 0.00 H new ATOM 2129 N GLY A 143 -9.284 -5.732 0.226 1.00 0.00 N ATOM 2130 CA GLY A 143 -9.469 -6.330 -1.078 1.00 0.00 C ATOM 2131 C GLY A 143 -9.648 -7.827 -0.953 1.00 0.00 C ATOM 2132 O GLY A 143 -9.282 -8.429 0.059 1.00 0.00 O ATOM 0 H GLY A 143 -9.084 -6.403 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.341 -5.893 -1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.608 -6.112 -1.710 1.00 0.00 H new ATOM 2136 N VAL A 144 -10.168 -8.429 -2.019 1.00 0.00 N ATOM 2137 CA VAL A 144 -10.576 -9.815 -2.072 1.00 0.00 C ATOM 2138 C VAL A 144 -10.157 -10.418 -3.415 1.00 0.00 C ATOM 2139 O VAL A 144 -9.692 -9.696 -4.299 1.00 0.00 O ATOM 2140 CB VAL A 144 -12.093 -9.939 -1.798 1.00 0.00 C ATOM 2141 CG1 VAL A 144 -12.529 -9.289 -0.479 1.00 0.00 C ATOM 2142 CG2 VAL A 144 -12.967 -9.401 -2.938 1.00 0.00 C ATOM 0 H VAL A 144 -10.319 -7.938 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 144 -10.075 -10.386 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.253 -11.015 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -13.604 -9.413 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -12.007 -9.765 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -12.286 -8.227 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -14.019 -9.520 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -12.750 -8.345 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -12.755 -9.955 -3.852 1.00 0.00 H new ATOM 2152 N GLY A 145 -10.329 -11.721 -3.601 1.00 0.00 N ATOM 2153 CA GLY A 145 -10.101 -12.362 -4.882 1.00 0.00 C ATOM 2154 C GLY A 145 -10.381 -13.848 -4.775 1.00 0.00 C ATOM 2155 O GLY A 145 -11.550 -14.229 -4.844 1.00 0.00 O ATOM 0 H GLY A 145 -10.631 -12.360 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -10.744 -11.916 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -9.072 -12.200 -5.201 1.00 0.00 H new ATOM 2159 N TYR A 146 -9.334 -14.666 -4.629 1.00 0.00 N ATOM 2160 CA TYR A 146 -9.399 -16.126 -4.609 1.00 0.00 C ATOM 2161 C TYR A 146 -8.242 -16.704 -3.786 1.00 0.00 C ATOM 2162 O TYR A 146 -7.296 -15.999 -3.418 1.00 0.00 O ATOM 2163 CB TYR A 146 -9.403 -16.763 -6.024 1.00 0.00 C ATOM 2164 CG TYR A 146 -10.280 -16.112 -7.077 1.00 0.00 C ATOM 2165 CD1 TYR A 146 -9.950 -14.857 -7.626 1.00 0.00 C ATOM 2166 CD2 TYR A 146 -11.454 -16.764 -7.478 1.00 0.00 C ATOM 2167 CE1 TYR A 146 -10.879 -14.182 -8.432 1.00 0.00 C ATOM 2168 CE2 TYR A 146 -12.377 -16.109 -8.311 1.00 0.00 C ATOM 2169 CZ TYR A 146 -12.118 -14.786 -8.730 1.00 0.00 C ATOM 2170 OH TYR A 146 -13.099 -14.056 -9.328 1.00 0.00 O ATOM 0 H TYR A 146 -8.383 -14.314 -4.518 1.00 0.00 H new ATOM 0 HA TYR A 146 -10.352 -16.379 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 146 -8.378 -16.768 -6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 146 -9.711 -17.804 -5.925 1.00 0.00 H new ATOM 0 HD1 TYR A 146 -8.985 -14.416 -7.427 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -11.650 -17.773 -7.146 1.00 0.00 H new ATOM 0 HE1 TYR A 146 -10.646 -13.203 -8.823 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -13.278 -16.614 -8.628 1.00 0.00 H new ATOM 0 HH TYR A 146 -13.889 -14.620 -9.466 1.00 0.00 H new ATOM 2180 N ARG A 147 -8.260 -18.018 -3.585 1.00 0.00 N ATOM 2181 CA ARG A 147 -7.081 -18.776 -3.157 1.00 0.00 C ATOM 2182 C ARG A 147 -7.002 -19.992 -4.045 1.00 0.00 C ATOM 2183 O ARG A 147 -8.032 -20.484 -4.512 1.00 0.00 O ATOM 2184 CB ARG A 147 -7.195 -19.217 -1.688 1.00 0.00 C ATOM 2185 CG ARG A 147 -5.908 -19.730 -1.027 1.00 0.00 C ATOM 2186 CD ARG A 147 -4.916 -18.607 -0.704 1.00 0.00 C ATOM 2187 NE ARG A 147 -3.873 -19.023 0.247 1.00 0.00 N ATOM 2188 CZ ARG A 147 -3.004 -20.039 0.140 1.00 0.00 C ATOM 2189 NH1 ARG A 147 -2.876 -20.815 -0.936 1.00 0.00 N ATOM 2190 NH2 ARG A 147 -2.247 -20.307 1.188 1.00 0.00 N ATOM 0 H ARG A 147 -9.093 -18.592 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 147 -6.189 -18.154 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -7.565 -18.373 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -7.948 -20.003 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -6.163 -20.258 -0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -5.429 -20.452 -1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -4.445 -18.268 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -5.459 -17.756 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 147 -3.802 -18.466 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.464 -20.654 -1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.190 -21.570 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -2.336 -19.749 2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.573 -21.072 1.148 1.00 0.00 H new ATOM 2204 N PHE A 148 -5.793 -20.486 -4.269 1.00 0.00 N ATOM 2205 CA PHE A 148 -5.571 -21.799 -4.824 1.00 0.00 C ATOM 2206 C PHE A 148 -4.227 -22.282 -4.337 1.00 0.00 C ATOM 2207 O PHE A 148 -3.640 -21.621 -3.448 1.00 0.00 O ATOM 2208 CB PHE A 148 -5.772 -21.796 -6.361 1.00 0.00 C ATOM 2209 CG PHE A 148 -4.923 -20.793 -7.116 1.00 0.00 C ATOM 2210 CD1 PHE A 148 -5.230 -19.417 -7.073 1.00 0.00 C ATOM 2211 CD2 PHE A 148 -3.789 -21.232 -7.818 1.00 0.00 C ATOM 2212 CE1 PHE A 148 -4.362 -18.481 -7.654 1.00 0.00 C ATOM 2213 CE2 PHE A 148 -2.939 -20.304 -8.434 1.00 0.00 C ATOM 2214 CZ PHE A 148 -3.205 -18.926 -8.312 1.00 0.00 C ATOM 0 H PHE A 148 -4.934 -19.975 -4.066 1.00 0.00 H new ATOM 0 HA PHE A 148 -6.311 -22.520 -4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -5.555 -22.794 -6.743 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -6.822 -21.595 -6.575 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -6.137 -19.083 -6.591 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.571 -22.288 -7.883 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -4.582 -17.425 -7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -2.084 -20.644 -9.000 1.00 0.00 H new ATOM 0 HZ PHE A 148 -2.514 -18.207 -8.728 1.00 0.00 H new TER 2224 PHE A 148