USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 916 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 135 THR OG1 : rot 92:sc= 2.17 USER MOD Set 1.2: A 136 ASN : amide:sc= -1.86! C(o=0.31!,f=-1.4!) USER MOD Set 2.1: A 91 THR OG1 : rot 166:sc= 2.16 USER MOD Set 2.2: A 112 TYR OH : rot -150:sc= 2.43 USER MOD Set 3.1: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 81 GLN :FLIP amide:sc= -0.0683 F(o=-0.86,f=-0.068) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0176 F(o=-1.7,f=-0.018) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 30 THR OG1 : rot 27:sc= 1.36 USER MOD Single : A 34 THR OG1 : rot -1:sc= 0.423 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.39) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 49:sc= -1.07 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 50 TYR OH : rot 154:sc= 0.571 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0.0972 (180deg=0.0863) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 116:sc= 1.22 USER MOD Single : A 61 ASN : amide:sc= 1.18 K(o=1.2,f=-0.016) USER MOD Single : A 64 MET CE :methyl -124:sc= -1.79 (180deg=-1.94) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.734) USER MOD Single : A 87 HIS :FLIP no HE2:sc=-0.00955 F(o=-1.2,f=-0.0096) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 90:sc= -2.62! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc=-0.00389 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -1.31 K(o=-1.3,f=-5.6!) USER MOD Single : A 125 ASN : amide:sc= 0.0504 K(o=0.05,f=-4.5!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot -84:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 20 30.954 -1.090 1.388 1.00 0.00 N ATOM 2 CA ASP A 20 30.263 -2.251 0.855 1.00 0.00 C ATOM 3 C ASP A 20 29.411 -2.880 1.938 1.00 0.00 C ATOM 4 O ASP A 20 29.888 -3.125 3.054 1.00 0.00 O ATOM 5 CB ASP A 20 31.267 -3.298 0.329 1.00 0.00 C ATOM 6 CG ASP A 20 32.175 -2.770 -0.757 1.00 0.00 C ATOM 7 OD1 ASP A 20 31.803 -2.804 -1.937 1.00 0.00 O ATOM 8 OD2 ASP A 20 33.289 -2.285 -0.438 1.00 0.00 O ATOM 0 HA ASP A 20 29.634 -1.922 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 20 31.876 -3.655 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.716 -4.157 -0.054 1.00 0.00 H new ATOM 13 N CYS A 21 28.179 -3.124 1.629 1.00 0.00 N ATOM 14 CA CYS A 21 27.256 -3.733 2.557 1.00 0.00 C ATOM 15 C CYS A 21 27.535 -5.209 2.652 1.00 0.00 C ATOM 16 O CYS A 21 28.054 -5.817 1.716 1.00 0.00 O ATOM 17 CB CYS A 21 25.820 -3.469 2.139 1.00 0.00 C ATOM 18 SG CYS A 21 25.402 -1.700 2.078 1.00 0.00 S ATOM 0 H CYS A 21 27.772 -2.908 0.719 1.00 0.00 H new ATOM 0 HA CYS A 21 27.395 -3.289 3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 21 25.648 -3.910 1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 21 25.148 -3.970 2.836 1.00 0.00 H new ATOM 23 N ASN A 22 27.211 -5.777 3.768 1.00 0.00 N ATOM 24 CA ASN A 22 27.521 -7.174 4.067 1.00 0.00 C ATOM 25 C ASN A 22 26.274 -7.953 4.297 1.00 0.00 C ATOM 26 O ASN A 22 26.302 -9.042 4.861 1.00 0.00 O ATOM 27 CB ASN A 22 28.365 -7.258 5.327 1.00 0.00 C ATOM 28 CG ASN A 22 29.858 -7.140 5.112 1.00 0.00 C ATOM 29 OD1 ASN A 22 30.274 -6.358 4.145 1.00 0.00 O flip ATOM 30 ND2 ASN A 22 30.642 -7.739 5.842 1.00 0.00 N flip ATOM 0 H ASN A 22 26.717 -5.295 4.519 1.00 0.00 H new ATOM 0 HA ASN A 22 28.061 -7.586 3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 22 28.049 -6.469 6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 22 28.159 -8.208 5.820 1.00 0.00 H new ATOM 0 HD21 ASN A 22 30.288 -8.340 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 22 31.647 -7.635 5.705 1.00 0.00 H new ATOM 37 N GLU A 23 25.200 -7.393 3.873 1.00 0.00 N ATOM 38 CA GLU A 23 23.898 -7.932 4.069 1.00 0.00 C ATOM 39 C GLU A 23 22.997 -7.291 3.113 1.00 0.00 C ATOM 40 O GLU A 23 23.339 -6.273 2.506 1.00 0.00 O ATOM 41 CB GLU A 23 23.419 -7.727 5.522 1.00 0.00 C ATOM 42 CG GLU A 23 23.403 -6.277 6.032 1.00 0.00 C ATOM 43 CD GLU A 23 24.775 -5.648 6.218 1.00 0.00 C ATOM 44 OE1 GLU A 23 25.452 -5.947 7.216 1.00 0.00 O ATOM 45 OE2 GLU A 23 25.203 -4.840 5.381 1.00 0.00 O ATOM 0 H GLU A 23 25.201 -6.512 3.359 1.00 0.00 H new ATOM 0 HA GLU A 23 23.911 -9.009 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.411 -8.133 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.059 -8.315 6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.832 -5.667 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.874 -6.248 6.985 1.00 0.00 H new ATOM 52 N LEU A 24 21.911 -7.931 2.902 1.00 0.00 N ATOM 53 CA LEU A 24 20.959 -7.543 2.019 1.00 0.00 C ATOM 54 C LEU A 24 20.029 -6.559 2.665 1.00 0.00 C ATOM 55 O LEU A 24 19.914 -6.509 3.901 1.00 0.00 O ATOM 56 CB LEU A 24 20.246 -8.811 1.555 1.00 0.00 C ATOM 57 CG LEU A 24 21.193 -9.918 1.127 1.00 0.00 C ATOM 58 CD1 LEU A 24 22.369 -9.424 0.354 1.00 0.00 C ATOM 59 CD2 LEU A 24 21.520 -10.813 2.250 1.00 0.00 C ATOM 0 H LEU A 24 21.678 -8.795 3.391 1.00 0.00 H new ATOM 0 HA LEU A 24 21.385 -7.032 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 24 19.613 -9.178 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 24 19.589 -8.564 0.721 1.00 0.00 H new ATOM 0 HG LEU A 24 20.662 -10.539 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 24 23.004 -10.266 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 24 22.025 -8.920 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 24 22.938 -8.724 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 24 22.200 -11.593 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 24 21.997 -10.240 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 24 20.606 -11.269 2.630 1.00 0.00 H new ATOM 71 N PRO A 25 19.394 -5.763 1.847 1.00 0.00 N ATOM 72 CA PRO A 25 18.476 -4.731 2.288 1.00 0.00 C ATOM 73 C PRO A 25 17.355 -5.307 3.179 1.00 0.00 C ATOM 74 O PRO A 25 16.815 -6.394 2.893 1.00 0.00 O ATOM 75 CB PRO A 25 17.908 -4.145 0.987 1.00 0.00 C ATOM 76 CG PRO A 25 18.378 -5.040 -0.118 1.00 0.00 C ATOM 77 CD PRO A 25 19.530 -5.836 0.409 1.00 0.00 C ATOM 0 HA PRO A 25 18.971 -3.979 2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 25 16.819 -4.108 1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 25 18.258 -3.124 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 25 17.574 -5.699 -0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 25 18.682 -4.453 -0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 25 19.493 -6.868 0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 25 20.483 -5.422 0.079 1.00 0.00 H new ATOM 85 N PRO A 26 17.049 -4.635 4.300 1.00 0.00 N ATOM 86 CA PRO A 26 16.008 -5.072 5.234 1.00 0.00 C ATOM 87 C PRO A 26 14.643 -5.183 4.576 1.00 0.00 C ATOM 88 O PRO A 26 14.100 -4.198 4.074 1.00 0.00 O ATOM 89 CB PRO A 26 15.977 -3.963 6.291 1.00 0.00 C ATOM 90 CG PRO A 26 17.311 -3.319 6.206 1.00 0.00 C ATOM 91 CD PRO A 26 17.713 -3.401 4.765 1.00 0.00 C ATOM 0 HA PRO A 26 16.225 -6.063 5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 26 15.179 -3.248 6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.797 -4.370 7.286 1.00 0.00 H new ATOM 0 HG2 PRO A 26 17.267 -2.283 6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 26 18.033 -3.830 6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 26 17.380 -2.528 4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 26 18.796 -3.459 4.651 1.00 0.00 H new ATOM 99 N ARG A 27 14.105 -6.373 4.556 1.00 0.00 N ATOM 100 CA ARG A 27 12.786 -6.584 4.020 1.00 0.00 C ATOM 101 C ARG A 27 11.786 -5.998 4.967 1.00 0.00 C ATOM 102 O ARG A 27 11.885 -6.191 6.176 1.00 0.00 O ATOM 103 CB ARG A 27 12.537 -8.054 3.748 1.00 0.00 C ATOM 104 CG ARG A 27 13.407 -8.562 2.627 1.00 0.00 C ATOM 105 CD ARG A 27 13.242 -10.039 2.380 1.00 0.00 C ATOM 106 NE ARG A 27 14.050 -10.477 1.237 1.00 0.00 N ATOM 107 CZ ARG A 27 15.261 -11.057 1.320 1.00 0.00 C ATOM 108 NH1 ARG A 27 15.839 -11.242 2.503 1.00 0.00 N ATOM 109 NH2 ARG A 27 15.893 -11.438 0.216 1.00 0.00 N ATOM 0 H ARG A 27 14.562 -7.215 4.906 1.00 0.00 H new ATOM 0 HA ARG A 27 12.688 -6.081 3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.732 -8.631 4.652 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.488 -8.206 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.169 -8.017 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.451 -8.352 2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.535 -10.595 3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.192 -10.265 2.195 1.00 0.00 H new ATOM 0 HE ARG A 27 13.663 -10.330 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.364 -10.944 3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.757 -11.682 2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.460 -11.291 -0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.811 -11.878 0.280 1.00 0.00 H new ATOM 123 N ARG A 28 10.858 -5.260 4.438 1.00 0.00 N ATOM 124 CA ARG A 28 9.959 -4.508 5.256 1.00 0.00 C ATOM 125 C ARG A 28 8.564 -5.105 5.244 1.00 0.00 C ATOM 126 O ARG A 28 8.324 -6.142 4.609 1.00 0.00 O ATOM 127 CB ARG A 28 9.936 -3.059 4.800 1.00 0.00 C ATOM 128 CG ARG A 28 11.259 -2.319 4.959 1.00 0.00 C ATOM 129 CD ARG A 28 11.125 -0.882 4.494 1.00 0.00 C ATOM 130 NE ARG A 28 12.338 -0.090 4.696 1.00 0.00 N ATOM 131 CZ ARG A 28 12.371 1.261 4.685 1.00 0.00 C ATOM 132 NH1 ARG A 28 11.279 1.963 4.385 1.00 0.00 N ATOM 133 NH2 ARG A 28 13.503 1.908 4.938 1.00 0.00 N ATOM 0 H ARG A 28 10.704 -5.163 3.434 1.00 0.00 H new ATOM 0 HA ARG A 28 10.316 -4.548 6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.642 -3.027 3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.168 -2.528 5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.572 -2.342 6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.035 -2.823 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.867 -0.873 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.299 -0.411 5.027 1.00 0.00 H new ATOM 0 HE ARG A 28 13.214 -0.588 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.408 1.481 4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.314 2.982 4.379 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.355 1.385 5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.521 2.928 4.928 1.00 0.00 H new ATOM 147 N ASN A 29 7.657 -4.486 5.961 1.00 0.00 N ATOM 148 CA ASN A 29 6.295 -4.981 6.026 1.00 0.00 C ATOM 149 C ASN A 29 5.469 -4.375 4.921 1.00 0.00 C ATOM 150 O ASN A 29 4.810 -5.085 4.172 1.00 0.00 O ATOM 151 CB ASN A 29 5.659 -4.699 7.390 1.00 0.00 C ATOM 152 CG ASN A 29 4.287 -5.356 7.560 1.00 0.00 C ATOM 153 OD1 ASN A 29 3.985 -6.366 6.934 1.00 0.00 O ATOM 154 ND2 ASN A 29 3.479 -4.834 8.440 1.00 0.00 N ATOM 0 H ASN A 29 7.832 -3.642 6.507 1.00 0.00 H new ATOM 0 HA ASN A 29 6.324 -6.063 5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.326 -5.055 8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.558 -3.622 7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.573 -5.267 8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.753 -3.993 8.948 1.00 0.00 H new ATOM 161 N THR A 30 5.520 -3.067 4.796 1.00 0.00 N ATOM 162 CA THR A 30 4.771 -2.391 3.765 1.00 0.00 C ATOM 163 C THR A 30 5.554 -2.288 2.457 1.00 0.00 C ATOM 164 O THR A 30 5.006 -1.916 1.419 1.00 0.00 O ATOM 165 CB THR A 30 4.278 -1.010 4.235 1.00 0.00 C ATOM 166 OG1 THR A 30 5.325 -0.337 4.941 1.00 0.00 O ATOM 167 CG2 THR A 30 3.065 -1.147 5.144 1.00 0.00 C ATOM 0 H THR A 30 6.072 -2.453 5.395 1.00 0.00 H new ATOM 0 HA THR A 30 3.892 -3.003 3.563 1.00 0.00 H new ATOM 0 HB THR A 30 3.993 -0.432 3.356 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.194 -0.659 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.736 -0.158 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.258 -1.641 4.602 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.331 -1.740 6.019 1.00 0.00 H new ATOM 175 N GLU A 31 6.822 -2.644 2.514 1.00 0.00 N ATOM 176 CA GLU A 31 7.676 -2.577 1.361 1.00 0.00 C ATOM 177 C GLU A 31 8.307 -3.911 1.093 1.00 0.00 C ATOM 178 O GLU A 31 8.796 -4.574 2.009 1.00 0.00 O ATOM 179 CB GLU A 31 8.754 -1.514 1.500 1.00 0.00 C ATOM 180 CG GLU A 31 8.235 -0.126 1.731 1.00 0.00 C ATOM 181 CD GLU A 31 8.260 0.285 3.194 1.00 0.00 C ATOM 182 OE1 GLU A 31 7.710 -0.433 4.048 1.00 0.00 O ATOM 183 OE2 GLU A 31 8.826 1.344 3.522 1.00 0.00 O ATOM 0 H GLU A 31 7.280 -2.985 3.359 1.00 0.00 H new ATOM 0 HA GLU A 31 7.045 -2.298 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.409 -1.785 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.365 -1.514 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.831 0.579 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.213 -0.060 1.359 1.00 0.00 H new ATOM 190 N ILE A 32 8.310 -4.295 -0.149 1.00 0.00 N ATOM 191 CA ILE A 32 8.838 -5.588 -0.534 1.00 0.00 C ATOM 192 C ILE A 32 10.032 -5.384 -1.448 1.00 0.00 C ATOM 193 O ILE A 32 9.984 -4.546 -2.328 1.00 0.00 O ATOM 194 CB ILE A 32 7.780 -6.416 -1.312 1.00 0.00 C ATOM 195 CG1 ILE A 32 6.444 -6.462 -0.554 1.00 0.00 C ATOM 196 CG2 ILE A 32 8.303 -7.832 -1.538 1.00 0.00 C ATOM 197 CD1 ILE A 32 5.320 -7.124 -1.332 1.00 0.00 C ATOM 0 H ILE A 32 7.953 -3.735 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 32 9.119 -6.123 0.373 1.00 0.00 H new ATOM 0 HB ILE A 32 7.604 -5.934 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.588 -6.997 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.147 -5.445 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.559 -8.412 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.227 -7.791 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.497 -8.306 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.410 -7.119 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.147 -6.576 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.595 -8.153 -1.564 1.00 0.00 H new ATOM 209 N LEU A 33 11.088 -6.117 -1.234 1.00 0.00 N ATOM 210 CA LEU A 33 12.238 -6.056 -2.107 1.00 0.00 C ATOM 211 C LEU A 33 11.927 -6.614 -3.461 1.00 0.00 C ATOM 212 O LEU A 33 11.577 -7.780 -3.595 1.00 0.00 O ATOM 213 CB LEU A 33 13.442 -6.786 -1.519 1.00 0.00 C ATOM 214 CG LEU A 33 14.295 -5.987 -0.569 1.00 0.00 C ATOM 215 CD1 LEU A 33 15.336 -6.883 0.097 1.00 0.00 C ATOM 216 CD2 LEU A 33 14.977 -4.864 -1.335 1.00 0.00 C ATOM 0 H LEU A 33 11.181 -6.771 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 33 12.491 -5.001 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.085 -7.674 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.071 -7.130 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 33 13.664 -5.563 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.944 -6.289 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.833 -7.674 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.976 -7.326 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.596 -4.282 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.602 -5.287 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.222 -4.217 -1.781 1.00 0.00 H new ATOM 228 N THR A 34 12.024 -5.784 -4.451 1.00 0.00 N ATOM 229 CA THR A 34 11.860 -6.233 -5.787 1.00 0.00 C ATOM 230 C THR A 34 13.205 -6.498 -6.404 1.00 0.00 C ATOM 231 O THR A 34 13.946 -5.576 -6.756 1.00 0.00 O ATOM 232 CB THR A 34 10.974 -5.300 -6.641 1.00 0.00 C ATOM 233 OG1 THR A 34 11.311 -3.913 -6.430 1.00 0.00 O ATOM 234 CG2 THR A 34 9.525 -5.526 -6.298 1.00 0.00 C ATOM 0 H THR A 34 12.217 -4.787 -4.353 1.00 0.00 H new ATOM 0 HA THR A 34 11.309 -7.173 -5.759 1.00 0.00 H new ATOM 0 HB THR A 34 11.149 -5.535 -7.691 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.033 -3.848 -5.770 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.901 -4.867 -6.902 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.260 -6.563 -6.502 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.363 -5.312 -5.242 1.00 0.00 H new ATOM 242 N GLY A 35 13.543 -7.747 -6.427 1.00 0.00 N ATOM 243 CA GLY A 35 14.787 -8.205 -6.925 1.00 0.00 C ATOM 244 C GLY A 35 15.124 -9.486 -6.237 1.00 0.00 C ATOM 245 O GLY A 35 14.228 -10.139 -5.684 1.00 0.00 O ATOM 0 H GLY A 35 12.938 -8.495 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.732 -8.356 -8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.564 -7.462 -6.746 1.00 0.00 H new ATOM 249 N SER A 36 16.362 -9.846 -6.235 1.00 0.00 N ATOM 250 CA SER A 36 16.792 -11.043 -5.584 1.00 0.00 C ATOM 251 C SER A 36 18.010 -10.718 -4.745 1.00 0.00 C ATOM 252 O SER A 36 19.042 -10.302 -5.273 1.00 0.00 O ATOM 253 CB SER A 36 17.102 -12.110 -6.632 1.00 0.00 C ATOM 254 OG SER A 36 15.973 -12.294 -7.492 1.00 0.00 O ATOM 0 H SER A 36 17.110 -9.319 -6.686 1.00 0.00 H new ATOM 0 HA SER A 36 16.010 -11.435 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 36 17.972 -11.814 -7.218 1.00 0.00 H new ATOM 0 HB3 SER A 36 17.353 -13.051 -6.142 1.00 0.00 H new ATOM 0 HG SER A 36 16.180 -12.978 -8.162 1.00 0.00 H new ATOM 260 N TRP A 37 17.870 -10.812 -3.445 1.00 0.00 N ATOM 261 CA TRP A 37 18.963 -10.514 -2.560 1.00 0.00 C ATOM 262 C TRP A 37 19.188 -11.698 -1.665 1.00 0.00 C ATOM 263 O TRP A 37 18.596 -11.815 -0.584 1.00 0.00 O ATOM 264 CB TRP A 37 18.694 -9.263 -1.718 1.00 0.00 C ATOM 265 CG TRP A 37 18.083 -8.132 -2.499 1.00 0.00 C ATOM 266 CD1 TRP A 37 16.763 -7.955 -2.739 1.00 0.00 C ATOM 267 CD2 TRP A 37 18.757 -7.045 -3.148 1.00 0.00 C ATOM 268 NE1 TRP A 37 16.557 -6.825 -3.476 1.00 0.00 N ATOM 269 CE2 TRP A 37 17.767 -6.246 -3.748 1.00 0.00 C ATOM 270 CE3 TRP A 37 20.091 -6.667 -3.273 1.00 0.00 C ATOM 271 CZ2 TRP A 37 18.073 -5.093 -4.465 1.00 0.00 C ATOM 272 CZ3 TRP A 37 20.394 -5.523 -3.986 1.00 0.00 C ATOM 273 CH2 TRP A 37 19.390 -4.749 -4.572 1.00 0.00 C ATOM 0 H TRP A 37 17.008 -11.093 -2.979 1.00 0.00 H new ATOM 0 HA TRP A 37 19.851 -10.311 -3.159 1.00 0.00 H new ATOM 0 HB2 TRP A 37 18.030 -9.525 -0.894 1.00 0.00 H new ATOM 0 HB3 TRP A 37 19.631 -8.924 -1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 37 15.981 -8.616 -2.395 1.00 0.00 H new ATOM 0 HE1 TRP A 37 15.649 -6.470 -3.775 1.00 0.00 H new ATOM 0 HE3 TRP A 37 20.875 -7.257 -2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 17.298 -4.493 -4.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 21.426 -5.222 -4.092 1.00 0.00 H new ATOM 0 HH2 TRP A 37 19.661 -3.860 -5.121 1.00 0.00 H new ATOM 284 N SER A 38 19.933 -12.616 -2.166 1.00 0.00 N ATOM 285 CA SER A 38 20.274 -13.800 -1.449 1.00 0.00 C ATOM 286 C SER A 38 21.773 -13.860 -1.273 1.00 0.00 C ATOM 287 O SER A 38 22.318 -14.847 -0.777 1.00 0.00 O ATOM 288 CB SER A 38 19.780 -15.009 -2.227 1.00 0.00 C ATOM 289 OG SER A 38 18.388 -14.891 -2.477 1.00 0.00 O ATOM 0 H SER A 38 20.332 -12.568 -3.103 1.00 0.00 H new ATOM 0 HA SER A 38 19.805 -13.795 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.321 -15.091 -3.170 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.981 -15.921 -1.664 1.00 0.00 H new ATOM 0 HG SER A 38 18.079 -15.673 -2.980 1.00 0.00 H new ATOM 295 N ASP A 39 22.445 -12.792 -1.684 1.00 0.00 N ATOM 296 CA ASP A 39 23.891 -12.740 -1.568 1.00 0.00 C ATOM 297 C ASP A 39 24.309 -12.262 -0.211 1.00 0.00 C ATOM 298 O ASP A 39 23.562 -12.397 0.734 1.00 0.00 O ATOM 299 CB ASP A 39 24.591 -11.978 -2.715 1.00 0.00 C ATOM 300 CG ASP A 39 24.613 -12.730 -4.030 1.00 0.00 C ATOM 301 OD1 ASP A 39 25.377 -13.704 -4.159 1.00 0.00 O ATOM 302 OD2 ASP A 39 23.897 -12.332 -4.973 1.00 0.00 O ATOM 0 H ASP A 39 22.017 -11.962 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 39 24.240 -13.767 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.088 -11.022 -2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.616 -11.756 -2.418 1.00 0.00 H new ATOM 307 N GLN A 40 25.505 -11.793 -0.076 1.00 0.00 N ATOM 308 CA GLN A 40 25.928 -11.288 1.187 1.00 0.00 C ATOM 309 C GLN A 40 26.427 -9.874 1.003 1.00 0.00 C ATOM 310 O GLN A 40 25.772 -8.921 1.385 1.00 0.00 O ATOM 311 CB GLN A 40 27.019 -12.179 1.793 1.00 0.00 C ATOM 312 CG GLN A 40 27.233 -11.973 3.281 1.00 0.00 C ATOM 313 CD GLN A 40 26.016 -12.394 4.084 1.00 0.00 C ATOM 314 OE1 GLN A 40 25.120 -11.605 4.343 1.00 0.00 O ATOM 315 NE2 GLN A 40 25.965 -13.640 4.464 1.00 0.00 N ATOM 0 H GLN A 40 26.202 -11.749 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 40 25.087 -11.288 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 40 26.760 -13.223 1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 40 27.958 -11.990 1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 40 28.101 -12.546 3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 40 27.453 -10.923 3.476 1.00 0.00 H new ATOM 0 HE21 GLN A 40 26.729 -14.275 4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 40 25.161 -13.980 4.993 1.00 0.00 H new ATOM 324 N THR A 41 27.541 -9.738 0.343 1.00 0.00 N ATOM 325 CA THR A 41 28.149 -8.461 0.179 1.00 0.00 C ATOM 326 C THR A 41 27.734 -7.764 -1.130 1.00 0.00 C ATOM 327 O THR A 41 27.711 -8.375 -2.211 1.00 0.00 O ATOM 328 CB THR A 41 29.679 -8.589 0.296 1.00 0.00 C ATOM 329 OG1 THR A 41 30.147 -9.653 -0.551 1.00 0.00 O ATOM 330 CG2 THR A 41 30.080 -8.892 1.728 1.00 0.00 C ATOM 0 H THR A 41 28.047 -10.509 -0.093 1.00 0.00 H new ATOM 0 HA THR A 41 27.787 -7.818 0.982 1.00 0.00 H new ATOM 0 HB THR A 41 30.125 -7.643 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 41 31.121 -9.728 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.165 -8.979 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 41 29.742 -8.086 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 41 29.622 -9.829 2.044 1.00 0.00 H new ATOM 338 N TYR A 42 27.394 -6.502 -1.014 1.00 0.00 N ATOM 339 CA TYR A 42 27.008 -5.670 -2.139 1.00 0.00 C ATOM 340 C TYR A 42 27.813 -4.394 -2.133 1.00 0.00 C ATOM 341 O TYR A 42 28.081 -3.845 -1.067 1.00 0.00 O ATOM 342 CB TYR A 42 25.499 -5.354 -2.142 1.00 0.00 C ATOM 343 CG TYR A 42 24.640 -6.429 -2.769 1.00 0.00 C ATOM 344 CD1 TYR A 42 24.256 -7.549 -2.064 1.00 0.00 C ATOM 345 CD2 TYR A 42 24.215 -6.309 -4.086 1.00 0.00 C ATOM 346 CE1 TYR A 42 23.474 -8.522 -2.651 1.00 0.00 C ATOM 347 CE2 TYR A 42 23.430 -7.280 -4.676 1.00 0.00 C ATOM 348 CZ TYR A 42 23.062 -8.384 -3.950 1.00 0.00 C ATOM 349 OH TYR A 42 22.273 -9.357 -4.524 1.00 0.00 O ATOM 0 H TYR A 42 27.376 -6.012 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 42 27.218 -6.230 -3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 42 25.171 -5.196 -1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 42 25.337 -4.418 -2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 42 24.572 -7.667 -1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 42 24.504 -5.440 -4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 42 23.186 -9.395 -2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 42 23.108 -7.171 -5.701 1.00 0.00 H new ATOM 0 HH TYR A 42 22.067 -9.107 -5.449 1.00 0.00 H new ATOM 359 N PRO A 43 28.221 -3.916 -3.312 1.00 0.00 N ATOM 360 CA PRO A 43 29.031 -2.708 -3.436 1.00 0.00 C ATOM 361 C PRO A 43 28.291 -1.453 -2.981 1.00 0.00 C ATOM 362 O PRO A 43 27.043 -1.356 -3.074 1.00 0.00 O ATOM 363 CB PRO A 43 29.351 -2.627 -4.931 1.00 0.00 C ATOM 364 CG PRO A 43 28.289 -3.428 -5.591 1.00 0.00 C ATOM 365 CD PRO A 43 27.918 -4.509 -4.626 1.00 0.00 C ATOM 0 HA PRO A 43 29.917 -2.759 -2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 43 29.343 -1.595 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 43 30.341 -3.029 -5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 43 27.426 -2.807 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 43 28.647 -3.851 -6.530 1.00 0.00 H new ATOM 0 HD2 PRO A 43 26.865 -4.779 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 43 28.495 -5.417 -4.799 1.00 0.00 H new ATOM 373 N GLU A 44 29.047 -0.505 -2.490 1.00 0.00 N ATOM 374 CA GLU A 44 28.502 0.730 -2.028 1.00 0.00 C ATOM 375 C GLU A 44 27.984 1.505 -3.232 1.00 0.00 C ATOM 376 O GLU A 44 28.664 1.598 -4.259 1.00 0.00 O ATOM 377 CB GLU A 44 29.562 1.539 -1.306 1.00 0.00 C ATOM 378 CG GLU A 44 28.997 2.728 -0.581 1.00 0.00 C ATOM 379 CD GLU A 44 30.039 3.643 -0.040 1.00 0.00 C ATOM 380 OE1 GLU A 44 31.029 3.920 -0.747 1.00 0.00 O ATOM 381 OE2 GLU A 44 29.884 4.120 1.091 1.00 0.00 O ATOM 0 H GLU A 44 30.061 -0.575 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 44 27.689 0.536 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 44 30.079 0.897 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 44 30.306 1.879 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 44 28.352 3.285 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 44 28.370 2.379 0.239 1.00 0.00 H new ATOM 388 N GLY A 45 26.798 2.032 -3.117 1.00 0.00 N ATOM 389 CA GLY A 45 26.198 2.727 -4.218 1.00 0.00 C ATOM 390 C GLY A 45 25.098 1.920 -4.845 1.00 0.00 C ATOM 391 O GLY A 45 24.388 2.403 -5.723 1.00 0.00 O ATOM 0 H GLY A 45 26.228 1.993 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.799 3.681 -3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.958 2.951 -4.966 1.00 0.00 H new ATOM 395 N THR A 46 24.942 0.698 -4.394 1.00 0.00 N ATOM 396 CA THR A 46 23.906 -0.155 -4.919 1.00 0.00 C ATOM 397 C THR A 46 22.550 0.126 -4.305 1.00 0.00 C ATOM 398 O THR A 46 22.370 0.028 -3.099 1.00 0.00 O ATOM 399 CB THR A 46 24.286 -1.655 -4.864 1.00 0.00 C ATOM 400 OG1 THR A 46 25.402 -1.907 -5.730 1.00 0.00 O ATOM 401 CG2 THR A 46 23.123 -2.559 -5.255 1.00 0.00 C ATOM 0 H THR A 46 25.518 0.274 -3.667 1.00 0.00 H new ATOM 0 HA THR A 46 23.815 0.096 -5.976 1.00 0.00 H new ATOM 0 HB THR A 46 24.552 -1.885 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.106 -1.247 -5.557 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.438 -3.601 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 46 22.290 -2.396 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 46 22.808 -2.327 -6.272 1.00 0.00 H new ATOM 409 N GLN A 47 21.619 0.523 -5.155 1.00 0.00 N ATOM 410 CA GLN A 47 20.293 0.831 -4.743 1.00 0.00 C ATOM 411 C GLN A 47 19.397 -0.396 -4.750 1.00 0.00 C ATOM 412 O GLN A 47 19.634 -1.358 -5.487 1.00 0.00 O ATOM 413 CB GLN A 47 19.718 1.959 -5.600 1.00 0.00 C ATOM 414 CG GLN A 47 19.596 1.645 -7.083 1.00 0.00 C ATOM 415 CD GLN A 47 19.251 2.872 -7.900 1.00 0.00 C ATOM 416 OE1 GLN A 47 18.570 3.816 -7.298 1.00 0.00 O flip ATOM 417 NE2 GLN A 47 19.617 2.970 -9.071 1.00 0.00 N flip ATOM 0 H GLN A 47 21.780 0.636 -6.156 1.00 0.00 H new ATOM 0 HA GLN A 47 20.333 1.177 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.731 2.218 -5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 47 20.347 2.841 -5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.535 1.224 -7.442 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.829 0.885 -7.230 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.146 2.213 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.392 3.808 -9.607 1.00 0.00 H new ATOM 426 N ALA A 48 18.408 -0.353 -3.916 1.00 0.00 N ATOM 427 CA ALA A 48 17.437 -1.390 -3.773 1.00 0.00 C ATOM 428 C ALA A 48 16.076 -0.791 -4.024 1.00 0.00 C ATOM 429 O ALA A 48 15.756 0.282 -3.495 1.00 0.00 O ATOM 430 CB ALA A 48 17.505 -1.984 -2.378 1.00 0.00 C ATOM 0 H ALA A 48 18.248 0.437 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 48 17.631 -2.191 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.760 -2.773 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.498 -2.400 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.306 -1.206 -1.641 1.00 0.00 H new ATOM 436 N ILE A 49 15.306 -1.443 -4.837 1.00 0.00 N ATOM 437 CA ILE A 49 14.000 -0.965 -5.195 1.00 0.00 C ATOM 438 C ILE A 49 12.953 -1.757 -4.424 1.00 0.00 C ATOM 439 O ILE A 49 12.972 -3.005 -4.434 1.00 0.00 O ATOM 440 CB ILE A 49 13.764 -1.133 -6.720 1.00 0.00 C ATOM 441 CG1 ILE A 49 14.885 -0.424 -7.499 1.00 0.00 C ATOM 442 CG2 ILE A 49 12.403 -0.563 -7.111 1.00 0.00 C ATOM 443 CD1 ILE A 49 14.854 -0.656 -8.996 1.00 0.00 C ATOM 0 H ILE A 49 15.563 -2.327 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 49 13.923 0.093 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 49 13.776 -2.194 -6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 49 14.821 0.647 -7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 49 15.847 -0.759 -7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 49 12.251 -0.688 -8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.618 -1.091 -6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.367 0.497 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 49 15.679 -0.119 -9.464 1.00 0.00 H new ATOM 0 HD12 ILE A 49 14.951 -1.722 -9.201 1.00 0.00 H new ATOM 0 HD13 ILE A 49 13.909 -0.294 -9.401 1.00 0.00 H new ATOM 455 N TYR A 50 12.092 -1.059 -3.730 1.00 0.00 N ATOM 456 CA TYR A 50 11.036 -1.683 -2.974 1.00 0.00 C ATOM 457 C TYR A 50 9.676 -1.455 -3.596 1.00 0.00 C ATOM 458 O TYR A 50 9.392 -0.383 -4.138 1.00 0.00 O ATOM 459 CB TYR A 50 10.995 -1.163 -1.555 1.00 0.00 C ATOM 460 CG TYR A 50 12.098 -1.637 -0.645 1.00 0.00 C ATOM 461 CD1 TYR A 50 13.352 -1.052 -0.668 1.00 0.00 C ATOM 462 CD2 TYR A 50 11.867 -2.665 0.258 1.00 0.00 C ATOM 463 CE1 TYR A 50 14.344 -1.475 0.179 1.00 0.00 C ATOM 464 CE2 TYR A 50 12.848 -3.091 1.116 1.00 0.00 C ATOM 465 CZ TYR A 50 14.093 -2.486 1.074 1.00 0.00 C ATOM 466 OH TYR A 50 15.085 -2.897 1.918 1.00 0.00 O ATOM 0 H TYR A 50 12.103 -0.041 -3.673 1.00 0.00 H new ATOM 0 HA TYR A 50 11.258 -2.750 -2.977 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.021 -0.074 -1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.040 -1.446 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 50 13.552 -0.250 -1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.897 -3.138 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 50 15.320 -1.014 0.142 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.652 -3.889 1.817 1.00 0.00 H new ATOM 0 HH TYR A 50 14.688 -3.289 2.724 1.00 0.00 H new ATOM 476 N LYS A 51 8.858 -2.458 -3.500 1.00 0.00 N ATOM 477 CA LYS A 51 7.490 -2.425 -3.931 1.00 0.00 C ATOM 478 C LYS A 51 6.661 -2.053 -2.740 1.00 0.00 C ATOM 479 O LYS A 51 6.931 -2.502 -1.643 1.00 0.00 O ATOM 480 CB LYS A 51 7.076 -3.816 -4.415 1.00 0.00 C ATOM 481 CG LYS A 51 5.709 -3.885 -5.046 1.00 0.00 C ATOM 482 CD LYS A 51 5.480 -5.245 -5.689 1.00 0.00 C ATOM 483 CE LYS A 51 4.201 -5.294 -6.521 1.00 0.00 C ATOM 484 NZ LYS A 51 2.981 -5.067 -5.722 1.00 0.00 N ATOM 0 H LYS A 51 9.133 -3.357 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 51 7.355 -1.711 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.812 -4.168 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.105 -4.503 -3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.945 -3.701 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.610 -3.101 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.331 -5.490 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.432 -6.007 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.258 -4.542 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.131 -6.265 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.151 -5.062 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.879 -5.827 -5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.051 -4.152 -5.233 1.00 0.00 H new ATOM 498 N CYS A 52 5.657 -1.288 -2.947 1.00 0.00 N ATOM 499 CA CYS A 52 4.795 -0.853 -1.877 1.00 0.00 C ATOM 500 C CYS A 52 3.643 -1.826 -1.681 1.00 0.00 C ATOM 501 O CYS A 52 2.531 -1.419 -1.412 1.00 0.00 O ATOM 502 CB CYS A 52 4.247 0.510 -2.212 1.00 0.00 C ATOM 503 SG CYS A 52 5.482 1.851 -2.226 1.00 0.00 S ATOM 0 H CYS A 52 5.394 -0.934 -3.867 1.00 0.00 H new ATOM 0 HA CYS A 52 5.373 -0.812 -0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.771 0.464 -3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.469 0.760 -1.491 1.00 0.00 H new ATOM 508 N ARG A 53 3.933 -3.121 -1.776 1.00 0.00 N ATOM 509 CA ARG A 53 2.906 -4.183 -1.667 1.00 0.00 C ATOM 510 C ARG A 53 1.861 -4.044 -2.784 1.00 0.00 C ATOM 511 O ARG A 53 1.931 -3.132 -3.593 1.00 0.00 O ATOM 512 CB ARG A 53 2.250 -4.167 -0.253 1.00 0.00 C ATOM 513 CG ARG A 53 3.176 -4.618 0.848 1.00 0.00 C ATOM 514 CD ARG A 53 2.522 -4.555 2.218 1.00 0.00 C ATOM 515 NE ARG A 53 1.440 -5.522 2.423 1.00 0.00 N ATOM 516 CZ ARG A 53 1.362 -6.336 3.502 1.00 0.00 C ATOM 517 NH1 ARG A 53 2.394 -6.436 4.347 1.00 0.00 N ATOM 518 NH2 ARG A 53 0.284 -7.075 3.704 1.00 0.00 N ATOM 0 H ARG A 53 4.877 -3.474 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 53 3.389 -5.152 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.904 -3.157 -0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.370 -4.811 -0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.501 -5.640 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.069 -3.994 0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.286 -4.718 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.128 -3.551 2.372 1.00 0.00 H new ATOM 0 HE ARG A 53 0.708 -5.585 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.244 -5.898 4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.331 -7.050 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.494 -7.033 3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.230 -7.687 4.518 1.00 0.00 H new ATOM 532 N PRO A 54 0.955 -4.991 -2.940 1.00 0.00 N ATOM 533 CA PRO A 54 -0.125 -4.838 -3.899 1.00 0.00 C ATOM 534 C PRO A 54 -1.222 -3.879 -3.394 1.00 0.00 C ATOM 535 O PRO A 54 -2.078 -3.456 -4.153 1.00 0.00 O ATOM 536 CB PRO A 54 -0.655 -6.265 -4.070 1.00 0.00 C ATOM 537 CG PRO A 54 -0.303 -6.966 -2.806 1.00 0.00 C ATOM 538 CD PRO A 54 0.958 -6.336 -2.307 1.00 0.00 C ATOM 0 HA PRO A 54 0.211 -4.394 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.732 -6.268 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.199 -6.754 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.103 -6.867 -2.072 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.161 -8.032 -2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.968 -6.266 -1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.836 -6.913 -2.597 1.00 0.00 H new ATOM 546 N GLY A 55 -1.176 -3.530 -2.109 1.00 0.00 N ATOM 547 CA GLY A 55 -2.205 -2.682 -1.548 1.00 0.00 C ATOM 548 C GLY A 55 -1.796 -1.240 -1.317 1.00 0.00 C ATOM 549 O GLY A 55 -2.642 -0.381 -1.102 1.00 0.00 O ATOM 0 H GLY A 55 -0.449 -3.819 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.068 -2.696 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.527 -3.108 -0.598 1.00 0.00 H new ATOM 553 N TYR A 56 -0.536 -0.942 -1.366 1.00 0.00 N ATOM 554 CA TYR A 56 -0.106 0.415 -1.097 1.00 0.00 C ATOM 555 C TYR A 56 0.486 1.025 -2.353 1.00 0.00 C ATOM 556 O TYR A 56 0.559 0.358 -3.398 1.00 0.00 O ATOM 557 CB TYR A 56 0.887 0.467 0.096 1.00 0.00 C ATOM 558 CG TYR A 56 0.303 -0.018 1.410 1.00 0.00 C ATOM 559 CD1 TYR A 56 0.165 -1.374 1.683 1.00 0.00 C ATOM 560 CD2 TYR A 56 -0.136 0.881 2.359 1.00 0.00 C ATOM 561 CE1 TYR A 56 -0.392 -1.807 2.863 1.00 0.00 C ATOM 562 CE2 TYR A 56 -0.700 0.456 3.538 1.00 0.00 C ATOM 563 CZ TYR A 56 -0.827 -0.885 3.786 1.00 0.00 C ATOM 564 OH TYR A 56 -1.413 -1.306 4.952 1.00 0.00 O ATOM 0 H TYR A 56 0.211 -1.601 -1.585 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.973 1.008 -0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.761 -0.138 -0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.234 1.493 0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.501 -2.099 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.035 1.940 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.487 -2.864 3.064 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.042 1.177 4.266 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.661 -0.527 5.493 1.00 0.00 H new ATOM 574 N ARG A 57 0.843 2.277 -2.274 1.00 0.00 N ATOM 575 CA ARG A 57 1.461 2.992 -3.365 1.00 0.00 C ATOM 576 C ARG A 57 2.323 4.093 -2.788 1.00 0.00 C ATOM 577 O ARG A 57 2.489 4.188 -1.575 1.00 0.00 O ATOM 578 CB ARG A 57 0.420 3.634 -4.300 1.00 0.00 C ATOM 579 CG ARG A 57 -0.454 4.695 -3.637 1.00 0.00 C ATOM 580 CD ARG A 57 -1.153 5.571 -4.668 1.00 0.00 C ATOM 581 NE ARG A 57 -1.967 4.803 -5.616 1.00 0.00 N ATOM 582 CZ ARG A 57 -2.798 5.332 -6.529 1.00 0.00 C ATOM 583 NH1 ARG A 57 -2.905 6.652 -6.656 1.00 0.00 N ATOM 584 NH2 ARG A 57 -3.499 4.534 -7.320 1.00 0.00 N ATOM 0 H ARG A 57 0.712 2.843 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 57 2.047 2.280 -3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.939 4.085 -5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.223 2.850 -4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.199 4.211 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.160 5.318 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.788 6.292 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.405 6.141 -5.219 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.896 3.786 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.354 7.268 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.538 7.048 -7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.407 3.522 -7.235 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.131 4.932 -8.015 1.00 0.00 H new ATOM 598 N SER A 58 2.843 4.908 -3.643 1.00 0.00 N ATOM 599 CA SER A 58 3.626 6.034 -3.288 1.00 0.00 C ATOM 600 C SER A 58 3.782 6.848 -4.548 1.00 0.00 C ATOM 601 O SER A 58 3.170 6.518 -5.569 1.00 0.00 O ATOM 602 CB SER A 58 4.982 5.560 -2.725 1.00 0.00 C ATOM 603 OG SER A 58 5.808 6.637 -2.310 1.00 0.00 O ATOM 0 H SER A 58 2.726 4.799 -4.650 1.00 0.00 H new ATOM 0 HA SER A 58 3.162 6.641 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.807 4.894 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.504 4.979 -3.486 1.00 0.00 H new ATOM 0 HG SER A 58 5.948 6.587 -1.341 1.00 0.00 H new ATOM 609 N LEU A 59 4.555 7.893 -4.494 1.00 0.00 N ATOM 610 CA LEU A 59 4.797 8.714 -5.662 1.00 0.00 C ATOM 611 C LEU A 59 5.992 8.159 -6.420 1.00 0.00 C ATOM 612 O LEU A 59 6.356 8.616 -7.508 1.00 0.00 O ATOM 613 CB LEU A 59 4.991 10.191 -5.280 1.00 0.00 C ATOM 614 CG LEU A 59 3.706 11.010 -4.999 1.00 0.00 C ATOM 615 CD1 LEU A 59 2.904 10.440 -3.843 1.00 0.00 C ATOM 616 CD2 LEU A 59 4.049 12.462 -4.740 1.00 0.00 C ATOM 0 H LEU A 59 5.036 8.205 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 59 3.924 8.681 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.623 10.233 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.539 10.682 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 59 3.081 10.945 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.013 11.047 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.609 9.417 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.513 10.446 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.135 13.023 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.709 12.531 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.550 12.879 -5.613 1.00 0.00 H new ATOM 628 N GLY A 60 6.608 7.189 -5.812 1.00 0.00 N ATOM 629 CA GLY A 60 7.664 6.475 -6.399 1.00 0.00 C ATOM 630 C GLY A 60 7.811 5.185 -5.682 1.00 0.00 C ATOM 631 O GLY A 60 6.828 4.642 -5.175 1.00 0.00 O ATOM 0 H GLY A 60 6.372 6.877 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.463 6.301 -7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.589 7.049 -6.341 1.00 0.00 H new ATOM 635 N ASN A 61 8.989 4.714 -5.588 1.00 0.00 N ATOM 636 CA ASN A 61 9.260 3.493 -4.889 1.00 0.00 C ATOM 637 C ASN A 61 10.219 3.798 -3.801 1.00 0.00 C ATOM 638 O ASN A 61 10.976 4.765 -3.912 1.00 0.00 O ATOM 639 CB ASN A 61 9.846 2.430 -5.834 1.00 0.00 C ATOM 640 CG ASN A 61 8.815 1.830 -6.775 1.00 0.00 C ATOM 641 OD1 ASN A 61 8.527 2.380 -7.839 1.00 0.00 O ATOM 642 ND2 ASN A 61 8.293 0.686 -6.426 1.00 0.00 N ATOM 0 H ASN A 61 9.813 5.158 -5.993 1.00 0.00 H new ATOM 0 HA ASN A 61 8.333 3.088 -4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 61 10.647 2.878 -6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.294 1.633 -5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.626 0.221 -7.041 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.553 0.257 -5.538 1.00 0.00 H new ATOM 649 N VAL A 62 10.164 3.049 -2.729 1.00 0.00 N ATOM 650 CA VAL A 62 11.117 3.219 -1.670 1.00 0.00 C ATOM 651 C VAL A 62 12.453 2.725 -2.167 1.00 0.00 C ATOM 652 O VAL A 62 12.667 1.530 -2.351 1.00 0.00 O ATOM 653 CB VAL A 62 10.696 2.499 -0.354 1.00 0.00 C ATOM 654 CG1 VAL A 62 11.814 2.537 0.685 1.00 0.00 C ATOM 655 CG2 VAL A 62 9.450 3.154 0.214 1.00 0.00 C ATOM 0 H VAL A 62 9.470 2.318 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 62 11.174 4.276 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 62 10.490 1.456 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.487 2.026 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.698 2.039 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.057 3.573 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.160 2.647 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.655 4.203 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.639 3.083 -0.511 1.00 0.00 H new ATOM 665 N ILE A 63 13.290 3.651 -2.497 1.00 0.00 N ATOM 666 CA ILE A 63 14.575 3.337 -3.003 1.00 0.00 C ATOM 667 C ILE A 63 15.579 3.493 -1.907 1.00 0.00 C ATOM 668 O ILE A 63 15.728 4.583 -1.319 1.00 0.00 O ATOM 669 CB ILE A 63 14.974 4.240 -4.205 1.00 0.00 C ATOM 670 CG1 ILE A 63 13.915 4.186 -5.321 1.00 0.00 C ATOM 671 CG2 ILE A 63 16.333 3.823 -4.752 1.00 0.00 C ATOM 672 CD1 ILE A 63 13.659 2.800 -5.873 1.00 0.00 C ATOM 0 H ILE A 63 13.097 4.650 -2.421 1.00 0.00 H new ATOM 0 HA ILE A 63 14.551 2.309 -3.364 1.00 0.00 H new ATOM 0 HB ILE A 63 15.034 5.267 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.978 4.589 -4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 63 14.231 4.836 -6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 63 16.599 4.464 -5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 63 17.086 3.920 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.288 2.786 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.900 2.854 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 63 14.582 2.399 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.310 2.148 -5.072 1.00 0.00 H new ATOM 684 N MET A 64 16.230 2.430 -1.605 1.00 0.00 N ATOM 685 CA MET A 64 17.277 2.445 -0.631 1.00 0.00 C ATOM 686 C MET A 64 18.569 2.245 -1.332 1.00 0.00 C ATOM 687 O MET A 64 18.571 1.948 -2.515 1.00 0.00 O ATOM 688 CB MET A 64 17.067 1.404 0.461 1.00 0.00 C ATOM 689 CG MET A 64 15.896 1.729 1.366 1.00 0.00 C ATOM 690 SD MET A 64 15.668 0.552 2.710 1.00 0.00 S ATOM 691 CE MET A 64 17.225 0.733 3.566 1.00 0.00 C ATOM 0 H MET A 64 16.056 1.517 -2.024 1.00 0.00 H new ATOM 0 HA MET A 64 17.276 3.409 -0.123 1.00 0.00 H new ATOM 0 HB2 MET A 64 16.905 0.429 0.001 1.00 0.00 H new ATOM 0 HB3 MET A 64 17.973 1.326 1.061 1.00 0.00 H new ATOM 0 HG2 MET A 64 16.040 2.724 1.787 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.985 1.764 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 64 17.713 -0.239 3.643 1.00 0.00 H new ATOM 0 HE2 MET A 64 17.867 1.418 3.013 1.00 0.00 H new ATOM 0 HE3 MET A 64 17.047 1.130 4.565 1.00 0.00 H new ATOM 701 N VAL A 65 19.647 2.426 -0.656 1.00 0.00 N ATOM 702 CA VAL A 65 20.934 2.260 -1.282 1.00 0.00 C ATOM 703 C VAL A 65 21.993 1.920 -0.246 1.00 0.00 C ATOM 704 O VAL A 65 21.886 2.299 0.924 1.00 0.00 O ATOM 705 CB VAL A 65 21.344 3.515 -2.146 1.00 0.00 C ATOM 706 CG1 VAL A 65 21.732 4.674 -1.318 1.00 0.00 C ATOM 707 CG2 VAL A 65 22.448 3.230 -3.123 1.00 0.00 C ATOM 0 H VAL A 65 19.676 2.689 0.329 1.00 0.00 H new ATOM 0 HA VAL A 65 20.857 1.422 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 65 20.441 3.760 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 65 22.004 5.508 -1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 65 20.895 4.965 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 65 22.584 4.406 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 65 22.680 4.135 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 65 23.336 2.900 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 65 22.131 2.447 -3.812 1.00 0.00 H new ATOM 717 N CYS A 66 22.937 1.146 -0.672 1.00 0.00 N ATOM 718 CA CYS A 66 24.054 0.743 0.125 1.00 0.00 C ATOM 719 C CYS A 66 25.011 1.916 0.262 1.00 0.00 C ATOM 720 O CYS A 66 25.447 2.490 -0.750 1.00 0.00 O ATOM 721 CB CYS A 66 24.749 -0.427 -0.571 1.00 0.00 C ATOM 722 SG CYS A 66 26.176 -1.081 0.311 1.00 0.00 S ATOM 0 H CYS A 66 22.954 0.763 -1.617 1.00 0.00 H new ATOM 0 HA CYS A 66 23.728 0.433 1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 66 24.026 -1.230 -0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 66 25.067 -0.106 -1.563 1.00 0.00 H new ATOM 727 N ARG A 67 25.306 2.297 1.479 1.00 0.00 N ATOM 728 CA ARG A 67 26.189 3.398 1.747 1.00 0.00 C ATOM 729 C ARG A 67 26.868 3.197 3.086 1.00 0.00 C ATOM 730 O ARG A 67 26.202 2.995 4.090 1.00 0.00 O ATOM 731 CB ARG A 67 25.404 4.722 1.707 1.00 0.00 C ATOM 732 CG ARG A 67 26.225 5.957 2.026 1.00 0.00 C ATOM 733 CD ARG A 67 25.456 7.237 1.721 1.00 0.00 C ATOM 734 NE ARG A 67 26.240 8.433 2.057 1.00 0.00 N ATOM 735 CZ ARG A 67 26.210 9.605 1.398 1.00 0.00 C ATOM 736 NH1 ARG A 67 25.443 9.761 0.312 1.00 0.00 N ATOM 737 NH2 ARG A 67 26.962 10.614 1.823 1.00 0.00 N ATOM 0 H ARG A 67 24.936 1.847 2.316 1.00 0.00 H new ATOM 0 HA ARG A 67 26.962 3.443 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 67 24.967 4.839 0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 67 24.577 4.660 2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 67 26.508 5.944 3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 67 27.148 5.940 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 67 25.192 7.260 0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 67 24.522 7.244 2.283 1.00 0.00 H new ATOM 0 HE ARG A 67 26.863 8.369 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 67 24.872 8.986 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 67 25.429 10.655 -0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 67 27.556 10.497 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 67 26.945 11.506 1.329 1.00 0.00 H new ATOM 751 N LYS A 68 28.203 3.215 3.083 1.00 0.00 N ATOM 752 CA LYS A 68 29.031 3.072 4.302 1.00 0.00 C ATOM 753 C LYS A 68 28.837 1.743 4.983 1.00 0.00 C ATOM 754 O LYS A 68 29.077 1.600 6.190 1.00 0.00 O ATOM 755 CB LYS A 68 28.773 4.212 5.268 1.00 0.00 C ATOM 756 CG LYS A 68 29.090 5.573 4.664 1.00 0.00 C ATOM 757 CD LYS A 68 30.527 5.624 4.159 1.00 0.00 C ATOM 758 CE LYS A 68 30.820 6.921 3.461 1.00 0.00 C ATOM 759 NZ LYS A 68 32.166 6.925 2.874 1.00 0.00 N ATOM 0 H LYS A 68 28.753 3.330 2.231 1.00 0.00 H new ATOM 0 HA LYS A 68 30.071 3.113 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 68 27.728 4.191 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 68 29.375 4.067 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 68 28.404 5.779 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 68 28.935 6.352 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 68 31.213 5.498 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 68 30.703 4.794 3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 68 30.080 7.089 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 68 30.728 7.745 4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 32.335 7.835 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 32.873 6.789 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 32.245 6.154 2.181 1.00 0.00 H new ATOM 773 N GLY A 69 28.455 0.774 4.217 1.00 0.00 N ATOM 774 CA GLY A 69 28.281 -0.544 4.735 1.00 0.00 C ATOM 775 C GLY A 69 26.876 -0.815 5.166 1.00 0.00 C ATOM 776 O GLY A 69 26.539 -1.953 5.466 1.00 0.00 O ATOM 0 H GLY A 69 28.256 0.872 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 69 28.569 -1.270 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 69 28.951 -0.688 5.583 1.00 0.00 H new ATOM 780 N GLU A 70 26.045 0.202 5.213 1.00 0.00 N ATOM 781 CA GLU A 70 24.693 -0.022 5.629 1.00 0.00 C ATOM 782 C GLU A 70 23.685 0.403 4.578 1.00 0.00 C ATOM 783 O GLU A 70 24.008 1.143 3.642 1.00 0.00 O ATOM 784 CB GLU A 70 24.425 0.619 6.984 1.00 0.00 C ATOM 785 CG GLU A 70 24.687 2.106 7.057 1.00 0.00 C ATOM 786 CD GLU A 70 24.534 2.610 8.456 1.00 0.00 C ATOM 787 OE1 GLU A 70 23.401 2.892 8.886 1.00 0.00 O ATOM 788 OE2 GLU A 70 25.545 2.696 9.176 1.00 0.00 O ATOM 0 H GLU A 70 26.279 1.166 4.974 1.00 0.00 H new ATOM 0 HA GLU A 70 24.563 -1.098 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 70 23.385 0.436 7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 70 25.042 0.121 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 70 25.694 2.319 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 70 23.996 2.633 6.399 1.00 0.00 H new ATOM 795 N TRP A 71 22.484 -0.085 4.721 1.00 0.00 N ATOM 796 CA TRP A 71 21.424 0.222 3.815 1.00 0.00 C ATOM 797 C TRP A 71 20.642 1.404 4.311 1.00 0.00 C ATOM 798 O TRP A 71 19.937 1.335 5.333 1.00 0.00 O ATOM 799 CB TRP A 71 20.532 -1.003 3.560 1.00 0.00 C ATOM 800 CG TRP A 71 21.202 -2.058 2.727 1.00 0.00 C ATOM 801 CD1 TRP A 71 21.922 -3.145 3.155 1.00 0.00 C ATOM 802 CD2 TRP A 71 21.212 -2.112 1.295 1.00 0.00 C ATOM 803 NE1 TRP A 71 22.373 -3.850 2.071 1.00 0.00 N ATOM 804 CE2 TRP A 71 21.959 -3.239 0.920 1.00 0.00 C ATOM 805 CE3 TRP A 71 20.659 -1.311 0.297 1.00 0.00 C ATOM 806 CZ2 TRP A 71 22.171 -3.583 -0.421 1.00 0.00 C ATOM 807 CZ3 TRP A 71 20.865 -1.653 -1.019 1.00 0.00 C ATOM 808 CH2 TRP A 71 21.616 -2.778 -1.369 1.00 0.00 C ATOM 0 H TRP A 71 22.216 -0.713 5.479 1.00 0.00 H new ATOM 0 HA TRP A 71 21.857 0.493 2.852 1.00 0.00 H new ATOM 0 HB2 TRP A 71 20.238 -1.436 4.516 1.00 0.00 H new ATOM 0 HB3 TRP A 71 19.618 -0.681 3.061 1.00 0.00 H new ATOM 0 HD1 TRP A 71 22.105 -3.404 4.187 1.00 0.00 H new ATOM 0 HE1 TRP A 71 22.933 -4.702 2.116 1.00 0.00 H new ATOM 0 HE3 TRP A 71 20.079 -0.437 0.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 22.752 -4.452 -0.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 20.437 -1.039 -1.798 1.00 0.00 H new ATOM 0 HH2 TRP A 71 21.759 -3.014 -2.413 1.00 0.00 H new ATOM 819 N VAL A 72 20.762 2.476 3.583 1.00 0.00 N ATOM 820 CA VAL A 72 20.163 3.730 3.935 1.00 0.00 C ATOM 821 C VAL A 72 19.102 4.086 2.912 1.00 0.00 C ATOM 822 O VAL A 72 19.029 3.465 1.845 1.00 0.00 O ATOM 823 CB VAL A 72 21.216 4.878 4.010 1.00 0.00 C ATOM 824 CG1 VAL A 72 22.291 4.577 5.041 1.00 0.00 C ATOM 825 CG2 VAL A 72 21.839 5.157 2.649 1.00 0.00 C ATOM 0 H VAL A 72 21.290 2.503 2.711 1.00 0.00 H new ATOM 0 HA VAL A 72 19.717 3.621 4.924 1.00 0.00 H new ATOM 0 HB VAL A 72 20.687 5.777 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 72 23.009 5.397 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 72 21.832 4.464 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 72 22.804 3.654 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 72 22.568 5.963 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 72 22.336 4.258 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 72 21.060 5.451 1.946 1.00 0.00 H new ATOM 835 N ALA A 73 18.299 5.061 3.217 1.00 0.00 N ATOM 836 CA ALA A 73 17.258 5.483 2.321 1.00 0.00 C ATOM 837 C ALA A 73 17.786 6.511 1.335 1.00 0.00 C ATOM 838 O ALA A 73 18.132 7.626 1.720 1.00 0.00 O ATOM 839 CB ALA A 73 16.075 6.040 3.099 1.00 0.00 C ATOM 0 H ALA A 73 18.344 5.586 4.090 1.00 0.00 H new ATOM 0 HA ALA A 73 16.917 4.615 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.297 6.354 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 73 15.680 5.270 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.399 6.896 3.691 1.00 0.00 H new ATOM 845 N LEU A 74 17.879 6.109 0.068 1.00 0.00 N ATOM 846 CA LEU A 74 18.296 6.987 -1.022 1.00 0.00 C ATOM 847 C LEU A 74 17.289 8.108 -1.104 1.00 0.00 C ATOM 848 O LEU A 74 17.629 9.284 -1.117 1.00 0.00 O ATOM 849 CB LEU A 74 18.330 6.171 -2.348 1.00 0.00 C ATOM 850 CG LEU A 74 18.933 6.855 -3.593 1.00 0.00 C ATOM 851 CD1 LEU A 74 19.390 5.826 -4.600 1.00 0.00 C ATOM 852 CD2 LEU A 74 17.938 7.784 -4.257 1.00 0.00 C ATOM 0 H LEU A 74 17.665 5.158 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 74 19.292 7.396 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 74 18.890 5.254 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.308 5.877 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 74 19.787 7.440 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 74 19.812 6.330 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 74 20.148 5.187 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.540 5.218 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 74 18.399 8.247 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 74 17.061 7.216 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 74 17.637 8.559 -3.552 1.00 0.00 H new ATOM 864 N ASN A 75 16.054 7.709 -1.138 1.00 0.00 N ATOM 865 CA ASN A 75 14.929 8.614 -1.147 1.00 0.00 C ATOM 866 C ASN A 75 14.161 8.502 0.158 1.00 0.00 C ATOM 867 O ASN A 75 13.305 7.628 0.302 1.00 0.00 O ATOM 868 CB ASN A 75 13.976 8.294 -2.294 1.00 0.00 C ATOM 869 CG ASN A 75 14.464 8.644 -3.680 1.00 0.00 C ATOM 870 OD1 ASN A 75 15.148 9.739 -3.826 1.00 0.00 O flip ATOM 871 ND2 ASN A 75 14.163 7.943 -4.633 1.00 0.00 N flip ATOM 0 H ASN A 75 15.787 6.725 -1.161 1.00 0.00 H new ATOM 0 HA ASN A 75 15.319 9.624 -1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.753 7.227 -2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.038 8.820 -2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.625 7.089 -4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.449 8.212 -5.574 1.00 0.00 H new ATOM 878 N PRO A 76 14.462 9.350 1.146 1.00 0.00 N ATOM 879 CA PRO A 76 13.749 9.349 2.429 1.00 0.00 C ATOM 880 C PRO A 76 12.339 9.947 2.296 1.00 0.00 C ATOM 881 O PRO A 76 11.507 9.825 3.189 1.00 0.00 O ATOM 882 CB PRO A 76 14.630 10.212 3.339 1.00 0.00 C ATOM 883 CG PRO A 76 15.406 11.089 2.415 1.00 0.00 C ATOM 884 CD PRO A 76 15.555 10.343 1.121 1.00 0.00 C ATOM 0 HA PRO A 76 13.597 8.342 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.025 10.803 4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.293 9.595 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.889 12.035 2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 76 16.382 11.326 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.467 11.011 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.530 9.860 1.050 1.00 0.00 H new ATOM 892 N LEU A 77 12.081 10.574 1.156 1.00 0.00 N ATOM 893 CA LEU A 77 10.778 11.158 0.865 1.00 0.00 C ATOM 894 C LEU A 77 9.828 10.089 0.359 1.00 0.00 C ATOM 895 O LEU A 77 8.623 10.301 0.249 1.00 0.00 O ATOM 896 CB LEU A 77 10.874 12.307 -0.169 1.00 0.00 C ATOM 897 CG LEU A 77 11.620 13.591 0.251 1.00 0.00 C ATOM 898 CD1 LEU A 77 11.076 14.143 1.554 1.00 0.00 C ATOM 899 CD2 LEU A 77 13.126 13.394 0.320 1.00 0.00 C ATOM 0 H LEU A 77 12.766 10.692 0.409 1.00 0.00 H new ATOM 0 HA LEU A 77 10.395 11.580 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.360 11.914 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.860 12.587 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 77 11.437 14.329 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.622 15.047 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.019 14.380 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.195 13.400 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.602 14.328 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.358 12.618 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.499 13.095 -0.660 1.00 0.00 H new ATOM 911 N ARG A 78 10.371 8.941 0.042 1.00 0.00 N ATOM 912 CA ARG A 78 9.559 7.860 -0.404 1.00 0.00 C ATOM 913 C ARG A 78 9.107 7.048 0.755 1.00 0.00 C ATOM 914 O ARG A 78 9.911 6.618 1.595 1.00 0.00 O ATOM 915 CB ARG A 78 10.250 6.982 -1.428 1.00 0.00 C ATOM 916 CG ARG A 78 10.549 7.668 -2.740 1.00 0.00 C ATOM 917 CD ARG A 78 9.317 8.222 -3.396 1.00 0.00 C ATOM 918 NE ARG A 78 9.634 8.751 -4.711 1.00 0.00 N ATOM 919 CZ ARG A 78 9.111 9.846 -5.252 1.00 0.00 C ATOM 920 NH1 ARG A 78 8.227 10.583 -4.576 1.00 0.00 N ATOM 921 NH2 ARG A 78 9.482 10.208 -6.467 1.00 0.00 N ATOM 0 H ARG A 78 11.370 8.740 0.087 1.00 0.00 H new ATOM 0 HA ARG A 78 8.695 8.299 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.184 6.616 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.625 6.111 -1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.260 8.476 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.028 6.959 -3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.562 7.440 -3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.890 9.009 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 78 10.317 8.237 -5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.947 10.307 -3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.832 11.422 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.163 9.649 -6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.087 11.047 -6.892 1.00 0.00 H new ATOM 935 N LYS A 79 7.844 6.872 0.809 1.00 0.00 N ATOM 936 CA LYS A 79 7.192 6.103 1.819 1.00 0.00 C ATOM 937 C LYS A 79 6.013 5.459 1.155 1.00 0.00 C ATOM 938 O LYS A 79 5.416 6.057 0.256 1.00 0.00 O ATOM 939 CB LYS A 79 6.720 6.999 2.980 1.00 0.00 C ATOM 940 CG LYS A 79 5.667 8.024 2.582 1.00 0.00 C ATOM 941 CD LYS A 79 5.281 8.938 3.730 1.00 0.00 C ATOM 942 CE LYS A 79 4.676 8.175 4.905 1.00 0.00 C ATOM 943 NZ LYS A 79 4.305 9.077 6.015 1.00 0.00 N ATOM 0 H LYS A 79 7.200 7.272 0.127 1.00 0.00 H new ATOM 0 HA LYS A 79 7.872 5.365 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.317 6.368 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.582 7.521 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.044 8.625 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.779 7.506 2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.162 9.482 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.565 9.680 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.793 7.631 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.390 7.434 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.898 8.520 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.151 9.578 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.604 9.769 5.681 1.00 0.00 H new ATOM 957 N CYS A 80 5.692 4.289 1.537 1.00 0.00 N ATOM 958 CA CYS A 80 4.580 3.608 0.944 1.00 0.00 C ATOM 959 C CYS A 80 3.334 3.853 1.759 1.00 0.00 C ATOM 960 O CYS A 80 3.273 3.529 2.946 1.00 0.00 O ATOM 961 CB CYS A 80 4.869 2.117 0.758 1.00 0.00 C ATOM 962 SG CYS A 80 6.289 1.783 -0.362 1.00 0.00 S ATOM 0 H CYS A 80 6.179 3.765 2.264 1.00 0.00 H new ATOM 0 HA CYS A 80 4.413 4.012 -0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.070 1.669 1.731 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.979 1.629 0.360 1.00 0.00 H new ATOM 967 N GLN A 81 2.378 4.482 1.142 1.00 0.00 N ATOM 968 CA GLN A 81 1.117 4.808 1.783 1.00 0.00 C ATOM 969 C GLN A 81 -0.017 4.106 1.083 1.00 0.00 C ATOM 970 O GLN A 81 0.167 3.561 0.001 1.00 0.00 O ATOM 971 CB GLN A 81 0.894 6.320 1.841 1.00 0.00 C ATOM 972 CG GLN A 81 1.785 7.026 2.854 1.00 0.00 C ATOM 973 CD GLN A 81 1.622 8.540 2.862 1.00 0.00 C ATOM 974 OE1 GLN A 81 1.382 9.120 1.721 1.00 0.00 O flip ATOM 975 NE2 GLN A 81 1.767 9.187 3.901 1.00 0.00 N flip ATOM 0 H GLN A 81 2.442 4.790 0.172 1.00 0.00 H new ATOM 0 HA GLN A 81 1.153 4.454 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.074 6.744 0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.149 6.516 2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.565 6.640 3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.826 6.783 2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.954 8.705 4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.700 10.205 3.882 1.00 0.00 H new ATOM 984 N LYS A 82 -1.167 4.101 1.692 1.00 0.00 N ATOM 985 CA LYS A 82 -2.324 3.395 1.167 1.00 0.00 C ATOM 986 C LYS A 82 -2.769 3.972 -0.166 1.00 0.00 C ATOM 987 O LYS A 82 -2.639 5.178 -0.409 1.00 0.00 O ATOM 988 CB LYS A 82 -3.465 3.464 2.165 1.00 0.00 C ATOM 989 CG LYS A 82 -3.148 2.844 3.512 1.00 0.00 C ATOM 990 CD LYS A 82 -4.290 3.043 4.463 1.00 0.00 C ATOM 991 CE LYS A 82 -3.962 2.599 5.869 1.00 0.00 C ATOM 992 NZ LYS A 82 -5.118 2.808 6.766 1.00 0.00 N ATOM 0 H LYS A 82 -1.341 4.586 2.572 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.040 2.355 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.741 4.508 2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.335 2.962 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.949 1.779 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.243 3.293 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.568 4.097 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.157 2.488 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.683 1.545 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.102 3.156 6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.800 2.776 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.546 3.735 6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.822 2.060 6.604 1.00 0.00 H new ATOM 1006 N ARG A 83 -3.259 3.119 -1.036 1.00 0.00 N ATOM 1007 CA ARG A 83 -3.748 3.577 -2.310 1.00 0.00 C ATOM 1008 C ARG A 83 -5.193 4.019 -2.171 1.00 0.00 C ATOM 1009 O ARG A 83 -5.970 3.384 -1.443 1.00 0.00 O ATOM 1010 CB ARG A 83 -3.587 2.509 -3.412 1.00 0.00 C ATOM 1011 CG ARG A 83 -4.336 1.213 -3.160 1.00 0.00 C ATOM 1012 CD ARG A 83 -4.084 0.205 -4.271 1.00 0.00 C ATOM 1013 NE ARG A 83 -2.650 -0.076 -4.440 1.00 0.00 N ATOM 1014 CZ ARG A 83 -2.095 -0.637 -5.524 1.00 0.00 C ATOM 1015 NH1 ARG A 83 -2.863 -1.119 -6.509 1.00 0.00 N ATOM 1016 NH2 ARG A 83 -0.766 -0.749 -5.593 1.00 0.00 N ATOM 0 H ARG A 83 -3.328 2.113 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.145 4.430 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.927 2.930 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.527 2.283 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.025 0.790 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.404 1.416 -3.086 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.612 -0.722 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.492 0.586 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.028 0.176 -3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.879 -1.061 -6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.432 -1.544 -7.330 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.185 -0.410 -4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.332 -1.174 -6.412 1.00 0.00 H new ATOM 1030 N PRO A 84 -5.549 5.136 -2.800 1.00 0.00 N ATOM 1031 CA PRO A 84 -6.913 5.653 -2.781 1.00 0.00 C ATOM 1032 C PRO A 84 -7.870 4.737 -3.563 1.00 0.00 C ATOM 1033 O PRO A 84 -7.453 4.027 -4.486 1.00 0.00 O ATOM 1034 CB PRO A 84 -6.789 7.012 -3.474 1.00 0.00 C ATOM 1035 CG PRO A 84 -5.576 6.896 -4.316 1.00 0.00 C ATOM 1036 CD PRO A 84 -4.647 6.003 -3.561 1.00 0.00 C ATOM 0 HA PRO A 84 -7.321 5.717 -1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -7.670 7.231 -4.077 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.691 7.819 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.816 6.476 -5.293 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.125 7.873 -4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.009 5.428 -4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.988 6.572 -2.905 1.00 0.00 H new ATOM 1044 N CYS A 85 -9.134 4.775 -3.222 1.00 0.00 N ATOM 1045 CA CYS A 85 -10.104 3.866 -3.832 1.00 0.00 C ATOM 1046 C CYS A 85 -11.065 4.575 -4.786 1.00 0.00 C ATOM 1047 O CYS A 85 -11.931 3.941 -5.397 1.00 0.00 O ATOM 1048 CB CYS A 85 -10.880 3.151 -2.752 1.00 0.00 C ATOM 1049 SG CYS A 85 -9.838 2.288 -1.554 1.00 0.00 S ATOM 0 H CYS A 85 -9.525 5.416 -2.532 1.00 0.00 H new ATOM 0 HA CYS A 85 -9.541 3.148 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -11.501 3.875 -2.224 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -11.554 2.432 -3.218 1.00 0.00 H new ATOM 1054 N GLY A 86 -10.932 5.870 -4.895 1.00 0.00 N ATOM 1055 CA GLY A 86 -11.744 6.620 -5.812 1.00 0.00 C ATOM 1056 C GLY A 86 -13.167 6.808 -5.331 1.00 0.00 C ATOM 1057 O GLY A 86 -13.410 7.466 -4.332 1.00 0.00 O ATOM 0 H GLY A 86 -10.267 6.427 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.290 7.598 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.757 6.111 -6.776 1.00 0.00 H new ATOM 1061 N HIS A 87 -14.095 6.195 -6.014 1.00 0.00 N ATOM 1062 CA HIS A 87 -15.496 6.392 -5.731 1.00 0.00 C ATOM 1063 C HIS A 87 -16.168 5.023 -5.524 1.00 0.00 C ATOM 1064 O HIS A 87 -16.175 4.196 -6.425 1.00 0.00 O ATOM 1065 CB HIS A 87 -16.110 7.146 -6.925 1.00 0.00 C ATOM 1066 CG HIS A 87 -17.512 7.618 -6.750 1.00 0.00 C ATOM 1067 ND1 HIS A 87 -18.028 8.573 -5.950 1.00 0.00 N flip ATOM 1068 CD2 HIS A 87 -18.553 7.163 -7.512 1.00 0.00 C flip ATOM 1069 CE1 HIS A 87 -19.353 8.673 -6.250 1.00 0.00 C flip ATOM 1070 NE2 HIS A 87 -19.637 7.815 -7.191 1.00 0.00 N flip ATOM 0 H HIS A 87 -13.906 5.548 -6.779 1.00 0.00 H new ATOM 0 HA HIS A 87 -15.643 6.975 -4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.482 8.009 -7.145 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.074 6.494 -7.798 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -17.522 9.118 -5.252 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -18.488 6.387 -8.261 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -20.053 9.351 -5.785 1.00 0.00 H new ATOM 1079 N PRO A 88 -16.748 4.777 -4.331 1.00 0.00 N ATOM 1080 CA PRO A 88 -17.383 3.476 -3.967 1.00 0.00 C ATOM 1081 C PRO A 88 -18.778 3.287 -4.537 1.00 0.00 C ATOM 1082 O PRO A 88 -19.641 2.635 -3.908 1.00 0.00 O ATOM 1083 CB PRO A 88 -17.456 3.558 -2.446 1.00 0.00 C ATOM 1084 CG PRO A 88 -17.612 5.006 -2.159 1.00 0.00 C ATOM 1085 CD PRO A 88 -16.820 5.738 -3.210 1.00 0.00 C ATOM 0 HA PRO A 88 -16.815 2.635 -4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -18.297 2.984 -2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -16.555 3.156 -1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.662 5.297 -2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.246 5.245 -1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.311 6.664 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.827 6.006 -2.848 1.00 0.00 H new ATOM 1093 N GLY A 89 -18.989 3.800 -5.706 1.00 0.00 N ATOM 1094 CA GLY A 89 -20.234 3.635 -6.359 1.00 0.00 C ATOM 1095 C GLY A 89 -21.227 4.715 -6.042 1.00 0.00 C ATOM 1096 O GLY A 89 -21.365 5.128 -4.890 1.00 0.00 O ATOM 0 H GLY A 89 -18.301 4.343 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.069 3.609 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -20.657 2.670 -6.078 1.00 0.00 H new ATOM 1100 N ASP A 90 -21.916 5.157 -7.051 1.00 0.00 N ATOM 1101 CA ASP A 90 -22.915 6.189 -6.925 1.00 0.00 C ATOM 1102 C ASP A 90 -24.211 5.586 -6.491 1.00 0.00 C ATOM 1103 O ASP A 90 -24.687 4.614 -7.069 1.00 0.00 O ATOM 1104 CB ASP A 90 -23.099 7.005 -8.232 1.00 0.00 C ATOM 1105 CG ASP A 90 -23.345 6.162 -9.462 1.00 0.00 C ATOM 1106 OD1 ASP A 90 -22.387 5.516 -9.948 1.00 0.00 O ATOM 1107 OD2 ASP A 90 -24.465 6.172 -10.005 1.00 0.00 O ATOM 0 H ASP A 90 -21.802 4.808 -8.003 1.00 0.00 H new ATOM 0 HA ASP A 90 -22.568 6.892 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -23.936 7.692 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -22.209 7.614 -8.395 1.00 0.00 H new ATOM 1112 N THR A 91 -24.759 6.133 -5.463 1.00 0.00 N ATOM 1113 CA THR A 91 -25.976 5.656 -4.938 1.00 0.00 C ATOM 1114 C THR A 91 -26.874 6.811 -4.523 1.00 0.00 C ATOM 1115 O THR A 91 -26.597 7.537 -3.558 1.00 0.00 O ATOM 1116 CB THR A 91 -25.777 4.636 -3.768 1.00 0.00 C ATOM 1117 OG1 THR A 91 -27.055 4.293 -3.191 1.00 0.00 O ATOM 1118 CG2 THR A 91 -24.832 5.178 -2.685 1.00 0.00 C ATOM 0 H THR A 91 -24.366 6.931 -4.963 1.00 0.00 H new ATOM 0 HA THR A 91 -26.471 5.105 -5.738 1.00 0.00 H new ATOM 0 HB THR A 91 -25.314 3.742 -4.184 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.954 3.504 -2.618 1.00 0.00 H new ATOM 0 HG21 THR A 91 -24.723 4.437 -1.893 1.00 0.00 H new ATOM 0 HG22 THR A 91 -23.856 5.386 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.245 6.097 -2.268 1.00 0.00 H new ATOM 1126 N PRO A 92 -27.929 7.051 -5.295 1.00 0.00 N ATOM 1127 CA PRO A 92 -28.937 8.031 -4.950 1.00 0.00 C ATOM 1128 C PRO A 92 -30.032 7.393 -4.084 1.00 0.00 C ATOM 1129 O PRO A 92 -31.116 7.968 -3.891 1.00 0.00 O ATOM 1130 CB PRO A 92 -29.495 8.435 -6.308 1.00 0.00 C ATOM 1131 CG PRO A 92 -29.354 7.216 -7.165 1.00 0.00 C ATOM 1132 CD PRO A 92 -28.191 6.427 -6.618 1.00 0.00 C ATOM 0 HA PRO A 92 -28.548 8.871 -4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -30.537 8.744 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -28.944 9.277 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -30.268 6.622 -7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -29.178 7.493 -8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -28.436 5.369 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -27.321 6.493 -7.271 1.00 0.00 H new ATOM 1140 N PHE A 93 -29.753 6.185 -3.607 1.00 0.00 N ATOM 1141 CA PHE A 93 -30.671 5.458 -2.757 1.00 0.00 C ATOM 1142 C PHE A 93 -30.156 5.405 -1.330 1.00 0.00 C ATOM 1143 O PHE A 93 -30.839 5.827 -0.389 1.00 0.00 O ATOM 1144 CB PHE A 93 -30.877 4.022 -3.262 1.00 0.00 C ATOM 1145 CG PHE A 93 -31.492 3.911 -4.622 1.00 0.00 C ATOM 1146 CD1 PHE A 93 -32.868 3.918 -4.772 1.00 0.00 C ATOM 1147 CD2 PHE A 93 -30.699 3.788 -5.746 1.00 0.00 C ATOM 1148 CE1 PHE A 93 -33.440 3.807 -6.020 1.00 0.00 C ATOM 1149 CE2 PHE A 93 -31.262 3.678 -6.996 1.00 0.00 C ATOM 1150 CZ PHE A 93 -32.637 3.688 -7.134 1.00 0.00 C ATOM 0 H PHE A 93 -28.884 5.688 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 93 -31.623 5.988 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -29.912 3.515 -3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -31.508 3.490 -2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -33.500 4.012 -3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -29.624 3.778 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -34.515 3.813 -6.125 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -30.631 3.584 -7.868 1.00 0.00 H new ATOM 0 HZ PHE A 93 -33.082 3.603 -8.114 1.00 0.00 H new ATOM 1160 N GLY A 94 -28.943 4.920 -1.166 1.00 0.00 N ATOM 1161 CA GLY A 94 -28.426 4.709 0.152 1.00 0.00 C ATOM 1162 C GLY A 94 -27.238 5.560 0.481 1.00 0.00 C ATOM 1163 O GLY A 94 -26.924 6.511 -0.229 1.00 0.00 O ATOM 0 H GLY A 94 -28.310 4.670 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -29.215 4.908 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -28.150 3.660 0.260 1.00 0.00 H new ATOM 1167 N THR A 95 -26.581 5.199 1.541 1.00 0.00 N ATOM 1168 CA THR A 95 -25.451 5.900 2.079 1.00 0.00 C ATOM 1169 C THR A 95 -24.370 4.848 2.352 1.00 0.00 C ATOM 1170 O THR A 95 -24.642 3.637 2.258 1.00 0.00 O ATOM 1171 CB THR A 95 -25.882 6.549 3.417 1.00 0.00 C ATOM 1172 OG1 THR A 95 -27.139 7.214 3.231 1.00 0.00 O ATOM 1173 CG2 THR A 95 -24.867 7.565 3.927 1.00 0.00 C ATOM 0 H THR A 95 -26.828 4.369 2.081 1.00 0.00 H new ATOM 0 HA THR A 95 -25.084 6.669 1.400 1.00 0.00 H new ATOM 0 HB THR A 95 -25.958 5.752 4.156 1.00 0.00 H new ATOM 0 HG1 THR A 95 -27.419 7.626 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 95 -25.218 7.990 4.867 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.908 7.072 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 95 -24.748 8.361 3.192 1.00 0.00 H new ATOM 1181 N PHE A 96 -23.185 5.265 2.676 1.00 0.00 N ATOM 1182 CA PHE A 96 -22.146 4.338 2.970 1.00 0.00 C ATOM 1183 C PHE A 96 -21.285 4.846 4.087 1.00 0.00 C ATOM 1184 O PHE A 96 -21.184 6.062 4.305 1.00 0.00 O ATOM 1185 CB PHE A 96 -21.308 4.025 1.735 1.00 0.00 C ATOM 1186 CG PHE A 96 -20.605 5.194 1.143 1.00 0.00 C ATOM 1187 CD1 PHE A 96 -19.340 5.544 1.579 1.00 0.00 C ATOM 1188 CD2 PHE A 96 -21.196 5.927 0.133 1.00 0.00 C ATOM 1189 CE1 PHE A 96 -18.680 6.607 1.012 1.00 0.00 C ATOM 1190 CE2 PHE A 96 -20.546 6.997 -0.436 1.00 0.00 C ATOM 1191 CZ PHE A 96 -19.284 7.339 0.001 1.00 0.00 C ATOM 0 H PHE A 96 -22.916 6.247 2.743 1.00 0.00 H new ATOM 0 HA PHE A 96 -22.613 3.407 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -20.568 3.269 1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -21.956 3.586 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -18.869 4.979 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -22.182 5.656 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -17.691 6.873 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -21.022 7.566 -1.221 1.00 0.00 H new ATOM 0 HZ PHE A 96 -18.766 8.176 -0.444 1.00 0.00 H new ATOM 1201 N THR A 97 -20.686 3.946 4.788 1.00 0.00 N ATOM 1202 CA THR A 97 -19.832 4.288 5.863 1.00 0.00 C ATOM 1203 C THR A 97 -18.407 4.028 5.460 1.00 0.00 C ATOM 1204 O THR A 97 -18.149 3.623 4.336 1.00 0.00 O ATOM 1205 CB THR A 97 -20.159 3.369 7.006 1.00 0.00 C ATOM 1206 OG1 THR A 97 -19.955 2.075 6.561 1.00 0.00 O ATOM 1207 CG2 THR A 97 -21.589 3.532 7.483 1.00 0.00 C ATOM 0 H THR A 97 -20.779 2.943 4.626 1.00 0.00 H new ATOM 0 HA THR A 97 -19.961 5.335 6.136 1.00 0.00 H new ATOM 0 HB THR A 97 -19.519 3.608 7.856 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.028 1.810 6.738 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.777 2.847 8.310 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.746 4.557 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 97 -22.273 3.309 6.664 1.00 0.00 H new ATOM 1215 N LEU A 98 -17.504 4.275 6.372 1.00 0.00 N ATOM 1216 CA LEU A 98 -16.124 3.936 6.231 1.00 0.00 C ATOM 1217 C LEU A 98 -15.622 3.560 7.588 1.00 0.00 C ATOM 1218 O LEU A 98 -16.215 3.951 8.597 1.00 0.00 O ATOM 1219 CB LEU A 98 -15.310 5.106 5.696 1.00 0.00 C ATOM 1220 CG LEU A 98 -15.628 5.554 4.279 1.00 0.00 C ATOM 1221 CD1 LEU A 98 -14.847 6.787 3.955 1.00 0.00 C ATOM 1222 CD2 LEU A 98 -15.305 4.457 3.284 1.00 0.00 C ATOM 0 H LEU A 98 -17.721 4.732 7.258 1.00 0.00 H new ATOM 0 HA LEU A 98 -16.020 3.117 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -15.452 5.956 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.254 4.838 5.742 1.00 0.00 H new ATOM 0 HG LEU A 98 -16.694 5.773 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -15.077 7.106 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -15.113 7.580 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.781 6.574 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -15.540 4.799 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -14.245 4.211 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -15.897 3.571 3.514 1.00 0.00 H new ATOM 1234 N THR A 99 -14.576 2.813 7.636 1.00 0.00 N ATOM 1235 CA THR A 99 -14.001 2.428 8.874 1.00 0.00 C ATOM 1236 C THR A 99 -12.514 2.212 8.632 1.00 0.00 C ATOM 1237 O THR A 99 -12.126 1.854 7.516 1.00 0.00 O ATOM 1238 CB THR A 99 -14.692 1.134 9.442 1.00 0.00 C ATOM 1239 OG1 THR A 99 -14.334 0.941 10.807 1.00 0.00 O ATOM 1240 CG2 THR A 99 -14.305 -0.111 8.651 1.00 0.00 C ATOM 0 H THR A 99 -14.094 2.451 6.814 1.00 0.00 H new ATOM 0 HA THR A 99 -14.149 3.204 9.625 1.00 0.00 H new ATOM 0 HB THR A 99 -15.768 1.281 9.352 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.772 0.134 11.149 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.804 -0.982 9.076 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.609 0.010 7.611 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.225 -0.252 8.699 1.00 0.00 H new ATOM 1248 N GLY A 100 -11.702 2.504 9.617 1.00 0.00 N ATOM 1249 CA GLY A 100 -10.279 2.301 9.497 1.00 0.00 C ATOM 1250 C GLY A 100 -9.586 3.321 8.613 1.00 0.00 C ATOM 1251 O GLY A 100 -8.541 3.029 8.030 1.00 0.00 O ATOM 0 H GLY A 100 -12.003 2.884 10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.832 2.332 10.491 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.096 1.304 9.097 1.00 0.00 H new ATOM 1255 N GLY A 101 -10.139 4.510 8.513 1.00 0.00 N ATOM 1256 CA GLY A 101 -9.500 5.516 7.687 1.00 0.00 C ATOM 1257 C GLY A 101 -10.356 6.732 7.467 1.00 0.00 C ATOM 1258 O GLY A 101 -9.871 7.856 7.538 1.00 0.00 O ATOM 0 H GLY A 101 -11.001 4.800 8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.563 5.819 8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.248 5.078 6.721 1.00 0.00 H new ATOM 1262 N ASN A 102 -11.635 6.498 7.169 1.00 0.00 N ATOM 1263 CA ASN A 102 -12.635 7.575 6.915 1.00 0.00 C ATOM 1264 C ASN A 102 -12.380 8.352 5.639 1.00 0.00 C ATOM 1265 O ASN A 102 -12.999 9.390 5.394 1.00 0.00 O ATOM 1266 CB ASN A 102 -12.827 8.532 8.093 1.00 0.00 C ATOM 1267 CG ASN A 102 -13.665 7.958 9.204 1.00 0.00 C ATOM 1268 OD1 ASN A 102 -13.672 6.749 9.467 1.00 0.00 O ATOM 1269 ND2 ASN A 102 -14.391 8.803 9.851 1.00 0.00 N ATOM 0 H ASN A 102 -12.023 5.558 7.093 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.570 7.030 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.850 8.806 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.294 9.449 7.733 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.996 8.482 10.607 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.361 9.793 9.608 1.00 0.00 H new ATOM 1276 N VAL A 103 -11.521 7.829 4.818 1.00 0.00 N ATOM 1277 CA VAL A 103 -11.226 8.377 3.519 1.00 0.00 C ATOM 1278 C VAL A 103 -11.125 7.202 2.589 1.00 0.00 C ATOM 1279 O VAL A 103 -11.149 6.066 3.060 1.00 0.00 O ATOM 1280 CB VAL A 103 -9.909 9.218 3.486 1.00 0.00 C ATOM 1281 CG1 VAL A 103 -10.026 10.466 4.348 1.00 0.00 C ATOM 1282 CG2 VAL A 103 -8.722 8.395 3.931 1.00 0.00 C ATOM 0 H VAL A 103 -10.989 6.986 5.034 1.00 0.00 H new ATOM 0 HA VAL A 103 -12.012 9.074 3.227 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.752 9.525 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.093 11.028 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.842 11.087 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -10.226 10.178 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.821 9.008 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -8.884 8.044 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.603 7.539 3.267 1.00 0.00 H new ATOM 1292 N PHE A 104 -11.025 7.425 1.319 1.00 0.00 N ATOM 1293 CA PHE A 104 -10.970 6.310 0.408 1.00 0.00 C ATOM 1294 C PHE A 104 -9.556 5.814 0.260 1.00 0.00 C ATOM 1295 O PHE A 104 -8.782 6.331 -0.541 1.00 0.00 O ATOM 1296 CB PHE A 104 -11.598 6.660 -0.937 1.00 0.00 C ATOM 1297 CG PHE A 104 -13.022 7.094 -0.798 1.00 0.00 C ATOM 1298 CD1 PHE A 104 -13.938 6.281 -0.159 1.00 0.00 C ATOM 1299 CD2 PHE A 104 -13.440 8.320 -1.275 1.00 0.00 C ATOM 1300 CE1 PHE A 104 -15.238 6.677 -0.001 1.00 0.00 C ATOM 1301 CE2 PHE A 104 -14.745 8.727 -1.120 1.00 0.00 C ATOM 1302 CZ PHE A 104 -15.646 7.905 -0.482 1.00 0.00 C ATOM 0 H PHE A 104 -10.980 8.348 0.887 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.561 5.496 0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.022 7.455 -1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.546 5.794 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.624 5.320 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.735 8.967 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.944 6.030 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.061 9.688 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.671 8.220 -0.358 1.00 0.00 H new ATOM 1312 N GLU A 105 -9.213 4.842 1.064 1.00 0.00 N ATOM 1313 CA GLU A 105 -7.889 4.292 1.083 1.00 0.00 C ATOM 1314 C GLU A 105 -7.941 2.804 1.391 1.00 0.00 C ATOM 1315 O GLU A 105 -8.890 2.325 2.045 1.00 0.00 O ATOM 1316 CB GLU A 105 -7.018 5.011 2.126 1.00 0.00 C ATOM 1317 CG GLU A 105 -7.545 4.895 3.575 1.00 0.00 C ATOM 1318 CD GLU A 105 -6.606 5.478 4.620 1.00 0.00 C ATOM 1319 OE1 GLU A 105 -5.977 6.521 4.371 1.00 0.00 O ATOM 1320 OE2 GLU A 105 -6.485 4.895 5.734 1.00 0.00 O ATOM 0 H GLU A 105 -9.853 4.408 1.729 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.445 4.437 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.008 4.603 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.947 6.066 1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.508 5.401 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.721 3.844 3.804 1.00 0.00 H new ATOM 1327 N TYR A 106 -6.948 2.084 0.880 1.00 0.00 N ATOM 1328 CA TYR A 106 -6.762 0.659 1.128 1.00 0.00 C ATOM 1329 C TYR A 106 -6.763 0.355 2.619 1.00 0.00 C ATOM 1330 O TYR A 106 -5.799 0.645 3.335 1.00 0.00 O ATOM 1331 CB TYR A 106 -5.467 0.166 0.448 1.00 0.00 C ATOM 1332 CG TYR A 106 -5.052 -1.252 0.779 1.00 0.00 C ATOM 1333 CD1 TYR A 106 -5.611 -2.321 0.126 1.00 0.00 C ATOM 1334 CD2 TYR A 106 -4.068 -1.508 1.728 1.00 0.00 C ATOM 1335 CE1 TYR A 106 -5.215 -3.612 0.398 1.00 0.00 C ATOM 1336 CE2 TYR A 106 -3.672 -2.798 2.011 1.00 0.00 C ATOM 1337 CZ TYR A 106 -4.246 -3.845 1.340 1.00 0.00 C ATOM 1338 OH TYR A 106 -3.838 -5.129 1.594 1.00 0.00 O ATOM 0 H TYR A 106 -6.235 2.483 0.269 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.602 0.118 0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.592 0.246 -0.632 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.654 0.837 0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -6.376 -2.147 -0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.607 -0.683 2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -5.667 -4.439 -0.130 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.914 -2.982 2.758 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.145 -5.121 2.287 1.00 0.00 H new ATOM 1348 N GLY A 107 -7.834 -0.233 3.069 1.00 0.00 N ATOM 1349 CA GLY A 107 -7.993 -0.493 4.458 1.00 0.00 C ATOM 1350 C GLY A 107 -9.408 -0.228 4.921 1.00 0.00 C ATOM 1351 O GLY A 107 -9.876 -0.856 5.876 1.00 0.00 O ATOM 0 H GLY A 107 -8.611 -0.541 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.731 -1.530 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.302 0.130 5.026 1.00 0.00 H new ATOM 1355 N VAL A 108 -10.115 0.684 4.250 1.00 0.00 N ATOM 1356 CA VAL A 108 -11.477 0.991 4.671 1.00 0.00 C ATOM 1357 C VAL A 108 -12.479 -0.026 4.163 1.00 0.00 C ATOM 1358 O VAL A 108 -12.249 -0.725 3.160 1.00 0.00 O ATOM 1359 CB VAL A 108 -12.002 2.431 4.291 1.00 0.00 C ATOM 1360 CG1 VAL A 108 -11.143 3.541 4.834 1.00 0.00 C ATOM 1361 CG2 VAL A 108 -12.256 2.604 2.798 1.00 0.00 C ATOM 0 H VAL A 108 -9.779 1.206 3.440 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.402 0.953 5.758 1.00 0.00 H new ATOM 0 HB VAL A 108 -12.969 2.511 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -11.560 4.503 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -11.114 3.479 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.132 3.446 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -12.615 3.615 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.329 2.437 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -13.006 1.884 2.471 1.00 0.00 H new ATOM 1371 N LYS A 109 -13.556 -0.120 4.884 1.00 0.00 N ATOM 1372 CA LYS A 109 -14.695 -0.879 4.494 1.00 0.00 C ATOM 1373 C LYS A 109 -15.830 0.108 4.369 1.00 0.00 C ATOM 1374 O LYS A 109 -16.158 0.786 5.348 1.00 0.00 O ATOM 1375 CB LYS A 109 -15.049 -1.941 5.553 1.00 0.00 C ATOM 1376 CG LYS A 109 -16.284 -2.757 5.196 1.00 0.00 C ATOM 1377 CD LYS A 109 -16.688 -3.751 6.290 1.00 0.00 C ATOM 1378 CE LYS A 109 -15.778 -4.977 6.343 1.00 0.00 C ATOM 1379 NZ LYS A 109 -16.167 -5.912 7.426 1.00 0.00 N ATOM 0 H LYS A 109 -13.664 0.345 5.785 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.502 -1.408 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.201 -2.614 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -15.212 -1.448 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -17.116 -2.080 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.097 -3.302 4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -16.668 -3.248 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -17.715 -4.074 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.814 -5.497 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.747 -4.657 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.524 -6.729 7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.108 -5.425 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.142 -6.238 7.269 1.00 0.00 H new ATOM 1393 N ALA A 110 -16.392 0.233 3.195 1.00 0.00 N ATOM 1394 CA ALA A 110 -17.464 1.127 3.002 1.00 0.00 C ATOM 1395 C ALA A 110 -18.731 0.356 3.170 1.00 0.00 C ATOM 1396 O ALA A 110 -19.161 -0.354 2.241 1.00 0.00 O ATOM 1397 CB ALA A 110 -17.404 1.766 1.623 1.00 0.00 C ATOM 0 H ALA A 110 -16.110 -0.285 2.363 1.00 0.00 H new ATOM 0 HA ALA A 110 -17.410 1.937 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -18.243 2.451 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.469 2.316 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -17.457 0.990 0.860 1.00 0.00 H new ATOM 1403 N VAL A 111 -19.307 0.405 4.342 1.00 0.00 N ATOM 1404 CA VAL A 111 -20.512 -0.353 4.563 1.00 0.00 C ATOM 1405 C VAL A 111 -21.663 0.375 3.927 1.00 0.00 C ATOM 1406 O VAL A 111 -21.575 1.560 3.676 1.00 0.00 O ATOM 1407 CB VAL A 111 -20.803 -0.722 6.057 1.00 0.00 C ATOM 1408 CG1 VAL A 111 -19.591 -0.962 6.927 1.00 0.00 C ATOM 1409 CG2 VAL A 111 -21.968 -0.013 6.746 1.00 0.00 C ATOM 0 H VAL A 111 -18.974 0.946 5.140 1.00 0.00 H new ATOM 0 HA VAL A 111 -20.368 -1.324 4.090 1.00 0.00 H new ATOM 0 HB VAL A 111 -21.219 -1.720 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -19.913 -1.210 7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -19.008 -1.788 6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.977 -0.062 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -22.052 -0.366 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.791 1.063 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -22.893 -0.229 6.211 1.00 0.00 H new ATOM 1419 N TYR A 112 -22.684 -0.311 3.607 1.00 0.00 N ATOM 1420 CA TYR A 112 -23.787 0.291 2.953 1.00 0.00 C ATOM 1421 C TYR A 112 -24.969 0.239 3.845 1.00 0.00 C ATOM 1422 O TYR A 112 -25.178 -0.726 4.577 1.00 0.00 O ATOM 1423 CB TYR A 112 -24.040 -0.414 1.633 1.00 0.00 C ATOM 1424 CG TYR A 112 -25.025 0.255 0.699 1.00 0.00 C ATOM 1425 CD1 TYR A 112 -24.591 1.186 -0.229 1.00 0.00 C ATOM 1426 CD2 TYR A 112 -26.374 -0.076 0.711 1.00 0.00 C ATOM 1427 CE1 TYR A 112 -25.467 1.772 -1.109 1.00 0.00 C ATOM 1428 CE2 TYR A 112 -27.252 0.499 -0.169 1.00 0.00 C ATOM 1429 CZ TYR A 112 -26.794 1.423 -1.079 1.00 0.00 C ATOM 1430 OH TYR A 112 -27.670 2.003 -1.965 1.00 0.00 O ATOM 0 H TYR A 112 -22.787 -1.310 3.788 1.00 0.00 H new ATOM 0 HA TYR A 112 -23.577 1.338 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -23.089 -0.517 1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -24.398 -1.421 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -23.546 1.456 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -26.737 -0.799 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -25.114 2.503 -1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -28.297 0.229 -0.148 1.00 0.00 H new ATOM 0 HH TYR A 112 -28.561 2.053 -1.559 1.00 0.00 H new ATOM 1440 N THR A 113 -25.676 1.297 3.843 1.00 0.00 N ATOM 1441 CA THR A 113 -26.860 1.449 4.586 1.00 0.00 C ATOM 1442 C THR A 113 -27.783 2.232 3.670 1.00 0.00 C ATOM 1443 O THR A 113 -27.308 2.801 2.684 1.00 0.00 O ATOM 1444 CB THR A 113 -26.565 2.235 5.880 1.00 0.00 C ATOM 1445 OG1 THR A 113 -25.405 1.661 6.524 1.00 0.00 O ATOM 1446 CG2 THR A 113 -27.718 2.125 6.833 1.00 0.00 C ATOM 0 H THR A 113 -25.433 2.123 3.296 1.00 0.00 H new ATOM 0 HA THR A 113 -27.300 0.499 4.889 1.00 0.00 H new ATOM 0 HB THR A 113 -26.397 3.281 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 113 -25.209 2.156 7.347 1.00 0.00 H new ATOM 0 HG21 THR A 113 -27.494 2.685 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 113 -28.615 2.533 6.367 1.00 0.00 H new ATOM 0 HG23 THR A 113 -27.884 1.077 7.084 1.00 0.00 H new ATOM 1454 N CYS A 114 -29.037 2.275 3.939 1.00 0.00 N ATOM 1455 CA CYS A 114 -29.933 2.931 3.033 1.00 0.00 C ATOM 1456 C CYS A 114 -31.043 3.562 3.824 1.00 0.00 C ATOM 1457 O CYS A 114 -31.267 4.770 3.778 1.00 0.00 O ATOM 1458 CB CYS A 114 -30.474 1.896 2.044 1.00 0.00 C ATOM 1459 SG CYS A 114 -31.169 2.588 0.530 1.00 0.00 S ATOM 0 H CYS A 114 -29.472 1.871 4.768 1.00 0.00 H new ATOM 0 HA CYS A 114 -29.421 3.713 2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -29.668 1.212 1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -31.242 1.304 2.542 1.00 0.00 H new ATOM 1464 N ASN A 115 -31.715 2.741 4.559 1.00 0.00 N ATOM 1465 CA ASN A 115 -32.755 3.138 5.452 1.00 0.00 C ATOM 1466 C ASN A 115 -32.613 2.234 6.624 1.00 0.00 C ATOM 1467 O ASN A 115 -31.660 1.458 6.678 1.00 0.00 O ATOM 1468 CB ASN A 115 -34.155 2.950 4.815 1.00 0.00 C ATOM 1469 CG ASN A 115 -34.433 3.877 3.643 1.00 0.00 C ATOM 1470 OD1 ASN A 115 -34.127 3.550 2.491 1.00 0.00 O ATOM 1471 ND2 ASN A 115 -35.050 5.002 3.906 1.00 0.00 N ATOM 0 H ASN A 115 -31.549 1.735 4.555 1.00 0.00 H new ATOM 0 HA ASN A 115 -32.672 4.193 5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -34.254 1.918 4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -34.915 3.111 5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -35.293 5.640 3.148 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -35.288 5.240 4.869 1.00 0.00 H new ATOM 1478 N GLU A 116 -33.505 2.302 7.538 1.00 0.00 N ATOM 1479 CA GLU A 116 -33.463 1.418 8.657 1.00 0.00 C ATOM 1480 C GLU A 116 -34.119 0.102 8.268 1.00 0.00 C ATOM 1481 O GLU A 116 -33.598 -0.985 8.522 1.00 0.00 O ATOM 1482 CB GLU A 116 -34.151 2.067 9.837 1.00 0.00 C ATOM 1483 CG GLU A 116 -34.123 1.254 11.096 1.00 0.00 C ATOM 1484 CD GLU A 116 -34.753 1.991 12.223 1.00 0.00 C ATOM 1485 OE1 GLU A 116 -34.065 2.797 12.878 1.00 0.00 O ATOM 1486 OE2 GLU A 116 -35.957 1.809 12.467 1.00 0.00 O ATOM 0 H GLU A 116 -34.282 2.963 7.540 1.00 0.00 H new ATOM 0 HA GLU A 116 -32.433 1.212 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -33.680 3.031 10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -35.189 2.267 9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -34.647 0.312 10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -33.092 1.007 11.350 1.00 0.00 H new ATOM 1493 N GLY A 117 -35.247 0.217 7.619 1.00 0.00 N ATOM 1494 CA GLY A 117 -35.969 -0.944 7.150 1.00 0.00 C ATOM 1495 C GLY A 117 -35.370 -1.541 5.884 1.00 0.00 C ATOM 1496 O GLY A 117 -35.544 -2.727 5.609 1.00 0.00 O ATOM 0 H GLY A 117 -35.692 1.109 7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -35.978 -1.701 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -37.006 -0.669 6.961 1.00 0.00 H new ATOM 1500 N TYR A 118 -34.659 -0.733 5.126 1.00 0.00 N ATOM 1501 CA TYR A 118 -34.068 -1.189 3.871 1.00 0.00 C ATOM 1502 C TYR A 118 -32.571 -1.154 3.952 1.00 0.00 C ATOM 1503 O TYR A 118 -31.991 -0.109 4.269 1.00 0.00 O ATOM 1504 CB TYR A 118 -34.468 -0.289 2.693 1.00 0.00 C ATOM 1505 CG TYR A 118 -35.932 -0.229 2.367 1.00 0.00 C ATOM 1506 CD1 TYR A 118 -36.775 0.669 3.007 1.00 0.00 C ATOM 1507 CD2 TYR A 118 -36.466 -1.047 1.389 1.00 0.00 C ATOM 1508 CE1 TYR A 118 -38.112 0.741 2.684 1.00 0.00 C ATOM 1509 CE2 TYR A 118 -37.796 -0.975 1.054 1.00 0.00 C ATOM 1510 CZ TYR A 118 -38.614 -0.083 1.705 1.00 0.00 C ATOM 1511 OH TYR A 118 -39.940 -0.001 1.360 1.00 0.00 O ATOM 0 H TYR A 118 -34.472 0.244 5.351 1.00 0.00 H new ATOM 0 HA TYR A 118 -34.434 -2.203 3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -34.123 0.723 2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -33.934 -0.630 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -36.376 1.321 3.770 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -35.827 -1.754 0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -38.760 1.438 3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -38.197 -1.616 0.283 1.00 0.00 H new ATOM 0 HH TYR A 118 -40.135 -0.650 0.652 1.00 0.00 H new ATOM 1521 N GLN A 119 -31.944 -2.250 3.668 1.00 0.00 N ATOM 1522 CA GLN A 119 -30.529 -2.279 3.571 1.00 0.00 C ATOM 1523 C GLN A 119 -30.177 -2.570 2.151 1.00 0.00 C ATOM 1524 O GLN A 119 -30.021 -1.651 1.346 1.00 0.00 O ATOM 1525 CB GLN A 119 -29.878 -3.299 4.530 1.00 0.00 C ATOM 1526 CG GLN A 119 -30.062 -2.964 6.005 1.00 0.00 C ATOM 1527 CD GLN A 119 -29.493 -1.601 6.367 1.00 0.00 C ATOM 1528 OE1 GLN A 119 -28.518 -1.132 5.770 1.00 0.00 O ATOM 1529 NE2 GLN A 119 -30.079 -0.965 7.339 1.00 0.00 N ATOM 0 H GLN A 119 -32.401 -3.146 3.498 1.00 0.00 H new ATOM 0 HA GLN A 119 -30.135 -1.310 3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -30.299 -4.285 4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -28.812 -3.359 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -31.124 -2.988 6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -29.578 -3.729 6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -30.882 -1.382 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -29.736 -0.050 7.630 1.00 0.00 H new ATOM 1538 N LEU A 120 -30.102 -3.842 1.827 1.00 0.00 N ATOM 1539 CA LEU A 120 -29.797 -4.271 0.519 1.00 0.00 C ATOM 1540 C LEU A 120 -30.182 -5.708 0.286 1.00 0.00 C ATOM 1541 O LEU A 120 -30.397 -6.473 1.230 1.00 0.00 O ATOM 1542 CB LEU A 120 -28.300 -4.085 0.193 1.00 0.00 C ATOM 1543 CG LEU A 120 -27.210 -4.477 1.253 1.00 0.00 C ATOM 1544 CD1 LEU A 120 -27.000 -3.442 2.306 1.00 0.00 C ATOM 1545 CD2 LEU A 120 -27.325 -5.884 1.831 1.00 0.00 C ATOM 0 H LEU A 120 -30.257 -4.603 2.489 1.00 0.00 H new ATOM 0 HA LEU A 120 -30.388 -3.643 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -28.092 -4.656 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -28.150 -3.034 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 120 -26.297 -4.508 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -26.233 -3.782 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -26.680 -2.510 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -27.933 -3.277 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -26.524 -6.048 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -28.288 -5.995 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -27.245 -6.615 1.027 1.00 0.00 H new ATOM 1557 N LEU A 121 -30.283 -6.053 -0.961 1.00 0.00 N ATOM 1558 CA LEU A 121 -30.414 -7.414 -1.372 1.00 0.00 C ATOM 1559 C LEU A 121 -29.045 -7.922 -1.646 1.00 0.00 C ATOM 1560 O LEU A 121 -28.253 -7.267 -2.345 1.00 0.00 O ATOM 1561 CB LEU A 121 -31.253 -7.549 -2.629 1.00 0.00 C ATOM 1562 CG LEU A 121 -32.720 -7.246 -2.487 1.00 0.00 C ATOM 1563 CD1 LEU A 121 -33.390 -7.293 -3.847 1.00 0.00 C ATOM 1564 CD2 LEU A 121 -33.388 -8.231 -1.536 1.00 0.00 C ATOM 0 H LEU A 121 -30.276 -5.385 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 121 -30.913 -7.980 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -30.839 -6.887 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -31.149 -8.568 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 121 -32.828 -6.245 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -34.452 -7.073 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -32.932 -6.554 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -33.268 -8.287 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -34.448 -7.992 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -33.275 -9.244 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -32.920 -8.163 -0.554 1.00 0.00 H new ATOM 1576 N GLY A 122 -28.751 -9.040 -1.122 1.00 0.00 N ATOM 1577 CA GLY A 122 -27.462 -9.587 -1.304 1.00 0.00 C ATOM 1578 C GLY A 122 -26.878 -10.097 -0.035 1.00 0.00 C ATOM 1579 O GLY A 122 -27.489 -9.990 1.045 1.00 0.00 O ATOM 0 H GLY A 122 -29.387 -9.604 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -27.514 -10.399 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -26.804 -8.827 -1.724 1.00 0.00 H new ATOM 1583 N GLU A 123 -25.700 -10.620 -0.146 1.00 0.00 N ATOM 1584 CA GLU A 123 -25.028 -11.237 0.957 1.00 0.00 C ATOM 1585 C GLU A 123 -23.970 -10.309 1.498 1.00 0.00 C ATOM 1586 O GLU A 123 -23.381 -10.563 2.547 1.00 0.00 O ATOM 1587 CB GLU A 123 -24.370 -12.569 0.533 1.00 0.00 C ATOM 1588 CG GLU A 123 -25.323 -13.666 0.033 1.00 0.00 C ATOM 1589 CD GLU A 123 -26.053 -13.318 -1.249 1.00 0.00 C ATOM 1590 OE1 GLU A 123 -25.415 -13.249 -2.317 1.00 0.00 O ATOM 1591 OE2 GLU A 123 -27.272 -13.097 -1.209 1.00 0.00 O ATOM 0 H GLU A 123 -25.168 -10.632 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 123 -25.769 -11.445 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -23.646 -12.359 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -23.811 -12.961 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -24.754 -14.582 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -26.057 -13.876 0.811 1.00 0.00 H new ATOM 1598 N ILE A 124 -23.714 -9.245 0.784 1.00 0.00 N ATOM 1599 CA ILE A 124 -22.694 -8.313 1.171 1.00 0.00 C ATOM 1600 C ILE A 124 -23.292 -6.924 1.327 1.00 0.00 C ATOM 1601 O ILE A 124 -23.865 -6.374 0.394 1.00 0.00 O ATOM 1602 CB ILE A 124 -21.531 -8.289 0.138 1.00 0.00 C ATOM 1603 CG1 ILE A 124 -20.934 -9.693 -0.060 1.00 0.00 C ATOM 1604 CG2 ILE A 124 -20.449 -7.322 0.567 1.00 0.00 C ATOM 1605 CD1 ILE A 124 -20.348 -10.315 1.197 1.00 0.00 C ATOM 0 H ILE A 124 -24.205 -9.003 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 124 -22.283 -8.635 2.128 1.00 0.00 H new ATOM 0 HB ILE A 124 -21.944 -7.953 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -21.711 -10.352 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -20.154 -9.638 -0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -19.647 -7.323 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -20.868 -6.319 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -20.052 -7.627 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -19.951 -11.303 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -19.546 -9.682 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -21.127 -10.407 1.954 1.00 0.00 H new ATOM 1617 N ASN A 125 -23.164 -6.375 2.509 1.00 0.00 N ATOM 1618 CA ASN A 125 -23.702 -5.055 2.834 1.00 0.00 C ATOM 1619 C ASN A 125 -22.587 -4.014 2.890 1.00 0.00 C ATOM 1620 O ASN A 125 -22.714 -2.997 3.565 1.00 0.00 O ATOM 1621 CB ASN A 125 -24.414 -5.084 4.209 1.00 0.00 C ATOM 1622 CG ASN A 125 -23.483 -5.364 5.395 1.00 0.00 C ATOM 1623 OD1 ASN A 125 -22.507 -6.125 5.289 1.00 0.00 O ATOM 1624 ND2 ASN A 125 -23.747 -4.725 6.510 1.00 0.00 N ATOM 0 H ASN A 125 -22.682 -6.826 3.286 1.00 0.00 H new ATOM 0 HA ASN A 125 -24.413 -4.788 2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -24.909 -4.126 4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -25.193 -5.846 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -23.143 -4.846 7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -24.557 -4.107 6.564 1.00 0.00 H new ATOM 1631 N TYR A 126 -21.541 -4.219 2.130 1.00 0.00 N ATOM 1632 CA TYR A 126 -20.360 -3.354 2.219 1.00 0.00 C ATOM 1633 C TYR A 126 -19.463 -3.519 1.012 1.00 0.00 C ATOM 1634 O TYR A 126 -19.741 -4.305 0.127 1.00 0.00 O ATOM 1635 CB TYR A 126 -19.557 -3.674 3.507 1.00 0.00 C ATOM 1636 CG TYR A 126 -18.844 -5.024 3.473 1.00 0.00 C ATOM 1637 CD1 TYR A 126 -19.469 -6.176 3.902 1.00 0.00 C ATOM 1638 CD2 TYR A 126 -17.542 -5.128 2.988 1.00 0.00 C ATOM 1639 CE1 TYR A 126 -18.820 -7.399 3.848 1.00 0.00 C ATOM 1640 CE2 TYR A 126 -16.891 -6.330 2.922 1.00 0.00 C ATOM 1641 CZ TYR A 126 -17.527 -7.468 3.350 1.00 0.00 C ATOM 1642 OH TYR A 126 -16.871 -8.684 3.280 1.00 0.00 O ATOM 0 H TYR A 126 -21.469 -4.969 1.442 1.00 0.00 H new ATOM 0 HA TYR A 126 -20.708 -2.322 2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -18.819 -2.888 3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -20.235 -3.654 4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -20.477 -6.124 4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -17.033 -4.236 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -19.318 -8.294 4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -15.884 -6.382 2.536 1.00 0.00 H new ATOM 0 HH TYR A 126 -15.975 -8.551 2.906 1.00 0.00 H new ATOM 1652 N ARG A 127 -18.411 -2.726 0.987 1.00 0.00 N ATOM 1653 CA ARG A 127 -17.373 -2.783 -0.012 1.00 0.00 C ATOM 1654 C ARG A 127 -16.056 -2.524 0.678 1.00 0.00 C ATOM 1655 O ARG A 127 -15.938 -1.560 1.381 1.00 0.00 O ATOM 1656 CB ARG A 127 -17.567 -1.714 -1.101 1.00 0.00 C ATOM 1657 CG ARG A 127 -18.828 -1.836 -1.909 1.00 0.00 C ATOM 1658 CD ARG A 127 -20.019 -1.116 -1.293 1.00 0.00 C ATOM 1659 NE ARG A 127 -20.031 0.325 -1.609 1.00 0.00 N ATOM 1660 CZ ARG A 127 -20.566 1.284 -0.845 1.00 0.00 C ATOM 1661 NH1 ARG A 127 -20.872 1.035 0.433 1.00 0.00 N ATOM 1662 NH2 ARG A 127 -20.737 2.509 -1.353 1.00 0.00 N ATOM 0 H ARG A 127 -18.254 -2.001 1.687 1.00 0.00 H new ATOM 0 HA ARG A 127 -17.402 -3.762 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -17.552 -0.732 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -16.715 -1.753 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -18.650 -1.437 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -19.073 -2.891 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -20.941 -1.572 -1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -20.000 -1.248 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 127 -19.594 0.615 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -20.698 0.111 0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -21.280 1.769 1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -20.460 2.705 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -21.144 3.247 -0.779 1.00 0.00 H new ATOM 1676 N GLU A 128 -15.096 -3.373 0.515 1.00 0.00 N ATOM 1677 CA GLU A 128 -13.806 -3.156 1.134 1.00 0.00 C ATOM 1678 C GLU A 128 -12.785 -2.686 0.138 1.00 0.00 C ATOM 1679 O GLU A 128 -12.851 -3.035 -1.041 1.00 0.00 O ATOM 1680 CB GLU A 128 -13.302 -4.408 1.827 1.00 0.00 C ATOM 1681 CG GLU A 128 -13.781 -4.587 3.234 1.00 0.00 C ATOM 1682 CD GLU A 128 -13.125 -5.761 3.892 1.00 0.00 C ATOM 1683 OE1 GLU A 128 -12.033 -5.598 4.465 1.00 0.00 O ATOM 1684 OE2 GLU A 128 -13.675 -6.859 3.847 1.00 0.00 O ATOM 0 H GLU A 128 -15.168 -4.226 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 128 -13.948 -2.375 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -13.606 -5.276 1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -12.212 -4.390 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -13.573 -3.684 3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -14.862 -4.724 3.237 1.00 0.00 H new ATOM 1691 N CYS A 129 -11.872 -1.876 0.602 1.00 0.00 N ATOM 1692 CA CYS A 129 -10.763 -1.447 -0.199 1.00 0.00 C ATOM 1693 C CYS A 129 -9.649 -2.450 -0.149 1.00 0.00 C ATOM 1694 O CYS A 129 -8.910 -2.541 0.846 1.00 0.00 O ATOM 1695 CB CYS A 129 -10.232 -0.098 0.219 1.00 0.00 C ATOM 1696 SG CYS A 129 -11.166 1.318 -0.366 1.00 0.00 S ATOM 0 H CYS A 129 -11.878 -1.496 1.548 1.00 0.00 H new ATOM 0 HA CYS A 129 -11.140 -1.360 -1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -10.197 -0.063 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -9.206 -0.006 -0.136 1.00 0.00 H new ATOM 1701 N ASP A 130 -9.544 -3.201 -1.197 1.00 0.00 N ATOM 1702 CA ASP A 130 -8.518 -4.182 -1.355 1.00 0.00 C ATOM 1703 C ASP A 130 -7.473 -3.577 -2.303 1.00 0.00 C ATOM 1704 O ASP A 130 -7.512 -2.371 -2.595 1.00 0.00 O ATOM 1705 CB ASP A 130 -9.120 -5.480 -1.950 1.00 0.00 C ATOM 1706 CG ASP A 130 -8.232 -6.718 -1.811 1.00 0.00 C ATOM 1707 OD1 ASP A 130 -7.283 -6.892 -2.593 1.00 0.00 O ATOM 1708 OD2 ASP A 130 -8.477 -7.542 -0.918 1.00 0.00 O ATOM 0 H ASP A 130 -10.186 -3.148 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 130 -8.061 -4.443 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.075 -5.678 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -9.329 -5.316 -3.007 1.00 0.00 H new ATOM 1713 N THR A 131 -6.586 -4.386 -2.766 1.00 0.00 N ATOM 1714 CA THR A 131 -5.494 -4.012 -3.620 1.00 0.00 C ATOM 1715 C THR A 131 -6.012 -3.499 -4.973 1.00 0.00 C ATOM 1716 O THR A 131 -5.556 -2.477 -5.489 1.00 0.00 O ATOM 1717 CB THR A 131 -4.604 -5.262 -3.830 1.00 0.00 C ATOM 1718 OG1 THR A 131 -5.412 -6.350 -4.340 1.00 0.00 O ATOM 1719 CG2 THR A 131 -4.010 -5.705 -2.510 1.00 0.00 C ATOM 0 H THR A 131 -6.596 -5.383 -2.552 1.00 0.00 H new ATOM 0 HA THR A 131 -4.921 -3.208 -3.158 1.00 0.00 H new ATOM 0 HB THR A 131 -3.810 -5.008 -4.533 1.00 0.00 H new ATOM 0 HG1 THR A 131 -5.844 -6.815 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 131 -3.386 -6.585 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 131 -3.403 -4.900 -2.095 1.00 0.00 H new ATOM 0 HG23 THR A 131 -4.812 -5.950 -1.814 1.00 0.00 H new ATOM 1727 N ASP A 132 -6.982 -4.224 -5.505 1.00 0.00 N ATOM 1728 CA ASP A 132 -7.624 -3.919 -6.781 1.00 0.00 C ATOM 1729 C ASP A 132 -8.471 -2.669 -6.676 1.00 0.00 C ATOM 1730 O ASP A 132 -8.496 -1.828 -7.576 1.00 0.00 O ATOM 1731 CB ASP A 132 -8.504 -5.100 -7.198 1.00 0.00 C ATOM 1732 CG ASP A 132 -9.292 -4.853 -8.467 1.00 0.00 C ATOM 1733 OD1 ASP A 132 -8.775 -5.117 -9.560 1.00 0.00 O ATOM 1734 OD2 ASP A 132 -10.470 -4.419 -8.392 1.00 0.00 O ATOM 0 H ASP A 132 -7.356 -5.060 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 132 -6.849 -3.747 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -7.875 -5.979 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -9.198 -5.329 -6.389 1.00 0.00 H new ATOM 1739 N GLY A 133 -9.114 -2.526 -5.559 1.00 0.00 N ATOM 1740 CA GLY A 133 -10.016 -1.434 -5.354 1.00 0.00 C ATOM 1741 C GLY A 133 -11.107 -1.852 -4.435 1.00 0.00 C ATOM 1742 O GLY A 133 -10.845 -2.200 -3.303 1.00 0.00 O ATOM 0 H GLY A 133 -9.029 -3.161 -4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.481 -0.582 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.434 -1.111 -6.307 1.00 0.00 H new ATOM 1746 N TRP A 134 -12.306 -1.888 -4.920 1.00 0.00 N ATOM 1747 CA TRP A 134 -13.419 -2.296 -4.108 1.00 0.00 C ATOM 1748 C TRP A 134 -13.702 -3.767 -4.335 1.00 0.00 C ATOM 1749 O TRP A 134 -13.789 -4.225 -5.481 1.00 0.00 O ATOM 1750 CB TRP A 134 -14.655 -1.431 -4.381 1.00 0.00 C ATOM 1751 CG TRP A 134 -14.428 0.025 -4.075 1.00 0.00 C ATOM 1752 CD1 TRP A 134 -14.126 1.012 -4.965 1.00 0.00 C ATOM 1753 CD2 TRP A 134 -14.463 0.649 -2.783 1.00 0.00 C ATOM 1754 NE1 TRP A 134 -13.978 2.208 -4.309 1.00 0.00 N ATOM 1755 CE2 TRP A 134 -14.181 2.011 -2.968 1.00 0.00 C ATOM 1756 CE3 TRP A 134 -14.709 0.186 -1.492 1.00 0.00 C ATOM 1757 CZ2 TRP A 134 -14.141 2.916 -1.905 1.00 0.00 C ATOM 1758 CZ3 TRP A 134 -14.669 1.078 -0.444 1.00 0.00 C ATOM 1759 CH2 TRP A 134 -14.389 2.429 -0.654 1.00 0.00 C ATOM 0 H TRP A 134 -12.546 -1.639 -5.880 1.00 0.00 H new ATOM 0 HA TRP A 134 -13.162 -2.152 -3.059 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -14.943 -1.537 -5.427 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -15.489 -1.798 -3.782 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -14.019 0.873 -6.031 1.00 0.00 H new ATOM 0 HE1 TRP A 134 -13.753 3.100 -4.749 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -14.928 -0.857 -1.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 -13.922 3.961 -2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 -14.858 0.726 0.559 1.00 0.00 H new ATOM 0 HH2 TRP A 134 -14.368 3.103 0.190 1.00 0.00 H new ATOM 1770 N THR A 135 -13.808 -4.501 -3.255 1.00 0.00 N ATOM 1771 CA THR A 135 -14.036 -5.934 -3.277 1.00 0.00 C ATOM 1772 C THR A 135 -15.418 -6.299 -3.808 1.00 0.00 C ATOM 1773 O THR A 135 -15.617 -7.381 -4.374 1.00 0.00 O ATOM 1774 CB THR A 135 -13.905 -6.497 -1.855 1.00 0.00 C ATOM 1775 OG1 THR A 135 -14.744 -5.724 -0.968 1.00 0.00 O ATOM 1776 CG2 THR A 135 -12.471 -6.442 -1.376 1.00 0.00 C ATOM 0 H THR A 135 -13.737 -4.115 -2.313 1.00 0.00 H new ATOM 0 HA THR A 135 -13.289 -6.363 -3.945 1.00 0.00 H new ATOM 0 HB THR A 135 -14.219 -7.541 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 135 -15.627 -6.144 -0.904 1.00 0.00 H new ATOM 0 HG21 THR A 135 -12.409 -6.847 -0.366 1.00 0.00 H new ATOM 0 HG22 THR A 135 -11.842 -7.031 -2.043 1.00 0.00 H new ATOM 0 HG23 THR A 135 -12.128 -5.407 -1.374 1.00 0.00 H new ATOM 1784 N ASN A 136 -16.355 -5.398 -3.650 1.00 0.00 N ATOM 1785 CA ASN A 136 -17.724 -5.663 -3.961 1.00 0.00 C ATOM 1786 C ASN A 136 -18.281 -4.467 -4.657 1.00 0.00 C ATOM 1787 O ASN A 136 -17.635 -3.408 -4.684 1.00 0.00 O ATOM 1788 CB ASN A 136 -18.534 -5.945 -2.674 1.00 0.00 C ATOM 1789 CG ASN A 136 -18.020 -7.138 -1.879 1.00 0.00 C ATOM 1790 OD1 ASN A 136 -17.148 -6.996 -0.997 1.00 0.00 O ATOM 1791 ND2 ASN A 136 -18.534 -8.310 -2.158 1.00 0.00 N ATOM 0 H ASN A 136 -16.181 -4.456 -3.299 1.00 0.00 H new ATOM 0 HA ASN A 136 -17.791 -6.544 -4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -18.512 -5.059 -2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -19.576 -6.119 -2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -18.223 -9.137 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -19.245 -8.395 -2.884 1.00 0.00 H new ATOM 1798 N ASP A 137 -19.443 -4.614 -5.200 1.00 0.00 N ATOM 1799 CA ASP A 137 -20.085 -3.563 -5.937 1.00 0.00 C ATOM 1800 C ASP A 137 -21.150 -2.913 -5.072 1.00 0.00 C ATOM 1801 O ASP A 137 -21.219 -3.180 -3.873 1.00 0.00 O ATOM 1802 CB ASP A 137 -20.671 -4.120 -7.238 1.00 0.00 C ATOM 1803 CG ASP A 137 -21.933 -4.949 -7.076 1.00 0.00 C ATOM 1804 OD1 ASP A 137 -21.892 -6.043 -6.461 1.00 0.00 O ATOM 1805 OD2 ASP A 137 -22.988 -4.550 -7.630 1.00 0.00 O ATOM 0 H ASP A 137 -19.985 -5.476 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 137 -19.356 -2.798 -6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -20.886 -3.287 -7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -19.913 -4.733 -7.726 1.00 0.00 H new ATOM 1810 N ILE A 138 -21.939 -2.046 -5.658 1.00 0.00 N ATOM 1811 CA ILE A 138 -22.965 -1.304 -4.935 1.00 0.00 C ATOM 1812 C ILE A 138 -24.170 -2.215 -4.611 1.00 0.00 C ATOM 1813 O ILE A 138 -24.851 -2.690 -5.521 1.00 0.00 O ATOM 1814 CB ILE A 138 -23.458 -0.114 -5.792 1.00 0.00 C ATOM 1815 CG1 ILE A 138 -22.289 0.764 -6.231 1.00 0.00 C ATOM 1816 CG2 ILE A 138 -24.463 0.739 -5.012 1.00 0.00 C ATOM 1817 CD1 ILE A 138 -22.634 1.615 -7.433 1.00 0.00 C ATOM 0 H ILE A 138 -21.894 -1.828 -6.653 1.00 0.00 H new ATOM 0 HA ILE A 138 -22.528 -0.940 -4.005 1.00 0.00 H new ATOM 0 HB ILE A 138 -23.946 -0.527 -6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -21.991 1.409 -5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -21.432 0.133 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -24.796 1.570 -5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -25.321 0.127 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -23.988 1.128 -4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -21.772 2.222 -7.708 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -22.906 0.971 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -23.473 2.266 -7.189 1.00 0.00 H new ATOM 1829 N PRO A 139 -24.410 -2.507 -3.321 1.00 0.00 N ATOM 1830 CA PRO A 139 -25.560 -3.298 -2.900 1.00 0.00 C ATOM 1831 C PRO A 139 -26.870 -2.543 -3.173 1.00 0.00 C ATOM 1832 O PRO A 139 -26.953 -1.324 -2.981 1.00 0.00 O ATOM 1833 CB PRO A 139 -25.359 -3.504 -1.398 1.00 0.00 C ATOM 1834 CG PRO A 139 -24.267 -2.607 -0.983 1.00 0.00 C ATOM 1835 CD PRO A 139 -23.569 -2.103 -2.202 1.00 0.00 C ATOM 0 HA PRO A 139 -25.631 -4.242 -3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -26.274 -3.276 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -25.109 -4.542 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -24.663 -1.773 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -23.566 -3.138 -0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -23.452 -1.020 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -22.569 -2.529 -2.287 1.00 0.00 H new ATOM 1843 N ILE A 140 -27.873 -3.267 -3.601 1.00 0.00 N ATOM 1844 CA ILE A 140 -29.137 -2.676 -4.026 1.00 0.00 C ATOM 1845 C ILE A 140 -30.135 -2.611 -2.878 1.00 0.00 C ATOM 1846 O ILE A 140 -30.496 -3.647 -2.319 1.00 0.00 O ATOM 1847 CB ILE A 140 -29.758 -3.496 -5.197 1.00 0.00 C ATOM 1848 CG1 ILE A 140 -28.806 -3.538 -6.408 1.00 0.00 C ATOM 1849 CG2 ILE A 140 -31.132 -2.959 -5.602 1.00 0.00 C ATOM 1850 CD1 ILE A 140 -28.472 -2.182 -7.005 1.00 0.00 C ATOM 0 H ILE A 140 -27.846 -4.284 -3.668 1.00 0.00 H new ATOM 0 HA ILE A 140 -28.923 -1.661 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 140 -29.900 -4.515 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -27.878 -4.024 -6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -29.254 -4.160 -7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -31.530 -3.558 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -31.810 -3.014 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -31.037 -1.922 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -27.797 -2.313 -7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -29.388 -1.698 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -27.991 -1.561 -6.250 1.00 0.00 H new ATOM 1862 N CYS A 141 -30.567 -1.408 -2.537 1.00 0.00 N ATOM 1863 CA CYS A 141 -31.563 -1.190 -1.488 1.00 0.00 C ATOM 1864 C CYS A 141 -32.885 -1.807 -1.899 1.00 0.00 C ATOM 1865 O CYS A 141 -33.458 -1.381 -2.902 1.00 0.00 O ATOM 1866 CB CYS A 141 -31.850 0.301 -1.308 1.00 0.00 C ATOM 1867 SG CYS A 141 -30.447 1.368 -0.919 1.00 0.00 S ATOM 0 H CYS A 141 -30.239 -0.549 -2.978 1.00 0.00 H new ATOM 0 HA CYS A 141 -31.165 -1.630 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -32.311 0.670 -2.224 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -32.588 0.410 -0.513 1.00 0.00 H new ATOM 1872 N GLU A 142 -33.362 -2.758 -1.134 1.00 0.00 N ATOM 1873 CA GLU A 142 -34.641 -3.419 -1.299 1.00 0.00 C ATOM 1874 C GLU A 142 -34.822 -4.256 -0.069 1.00 0.00 C ATOM 1875 O GLU A 142 -35.781 -5.049 0.004 1.00 0.00 O ATOM 1876 CB GLU A 142 -34.712 -4.316 -2.562 1.00 0.00 C ATOM 1877 CG GLU A 142 -35.128 -3.633 -3.866 1.00 0.00 C ATOM 1878 CD GLU A 142 -36.561 -3.146 -3.850 1.00 0.00 C ATOM 1879 OE1 GLU A 142 -37.465 -3.934 -4.177 1.00 0.00 O ATOM 1880 OE2 GLU A 142 -36.806 -1.959 -3.549 1.00 0.00 O ATOM 1881 OXT GLU A 142 -33.967 -4.133 0.832 1.00 0.00 O ATOM 0 H GLU A 142 -32.841 -3.114 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 142 -35.425 -2.673 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -33.732 -4.770 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -35.412 -5.128 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -34.465 -2.788 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -34.997 -4.331 -4.693 1.00 0.00 H new