USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.323 USER MOD Set 1.2: A 100 THR OG1 : rot -64:sc= 0.335 USER MOD Single : A 12 CYS SG : rot 80:sc= -1.17 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.47) USER MOD Single : A 39 SER OG : rot 160:sc= -0.353 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 5:sc= 0.35 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.685 USER MOD Single : A 45 SER OG : rot 160:sc= 0.00137 USER MOD Single : A 48 MET CE :methyl -139:sc= -0.499 (180deg=-2.47!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 0.437 (180deg=0.381) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.237 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.684 F(o=-1.7,f=-0.68) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -150:sc= -0.0697 USER MOD Single : A 68 THR OG1 : rot -19:sc= -0.653 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -53:sc= 0.0138 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.00131 USER MOD Single : A 79 SER OG : rot -15:sc= 0.986! USER MOD Single : A 86 ASN : amide:sc= -2.85 K(o=-2.9,f=-12!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -153:sc= -3.2 (180deg=-3.89!) USER MOD Single : A 94 SER OG : rot 85:sc= -0.258 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -163:sc= 0.911 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.689 16.744 4.544 1.00 0.00 N ATOM 67 CA PRO A 8 9.900 15.615 4.041 1.00 0.00 C ATOM 68 C PRO A 8 8.953 16.025 2.919 1.00 0.00 C ATOM 69 O PRO A 8 8.572 17.188 2.789 1.00 0.00 O ATOM 70 CB PRO A 8 9.109 15.161 5.270 1.00 0.00 C ATOM 71 CG PRO A 8 9.016 16.373 6.131 1.00 0.00 C ATOM 72 CD PRO A 8 10.290 17.140 5.905 1.00 0.00 C ATOM 0 HA PRO A 8 10.530 14.836 3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.120 14.797 4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.615 14.346 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.146 16.974 5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.906 16.099 7.180 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.130 18.216 5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.052 16.879 6.639 1.00 0.00 H new ATOM 80 N PRO A 9 8.562 15.047 2.087 1.00 0.00 N ATOM 81 CA PRO A 9 7.653 15.282 0.962 1.00 0.00 C ATOM 82 C PRO A 9 6.232 15.595 1.419 1.00 0.00 C ATOM 83 O PRO A 9 5.799 15.149 2.481 1.00 0.00 O ATOM 84 CB PRO A 9 7.688 13.958 0.195 1.00 0.00 C ATOM 85 CG PRO A 9 8.061 12.939 1.216 1.00 0.00 C ATOM 86 CD PRO A 9 8.977 13.638 2.182 1.00 0.00 C ATOM 0 HA PRO A 9 7.956 16.144 0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.720 13.734 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.415 13.990 -0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.177 12.554 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.559 12.087 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.862 13.253 3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.024 13.508 1.908 1.00 0.00 H new ATOM 94 N GLY A 10 5.511 16.365 0.610 1.00 0.00 N ATOM 95 CA GLY A 10 4.146 16.724 0.950 1.00 0.00 C ATOM 96 C GLY A 10 3.213 15.529 0.942 1.00 0.00 C ATOM 97 O GLY A 10 3.643 14.380 0.838 1.00 0.00 O ATOM 0 H GLY A 10 5.847 16.747 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.130 17.187 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.783 17.469 0.243 1.00 0.00 H new ATOM 101 N PRO A 11 1.903 15.795 1.055 1.00 0.00 N ATOM 102 CA PRO A 11 0.880 14.745 1.064 1.00 0.00 C ATOM 103 C PRO A 11 0.726 14.074 -0.296 1.00 0.00 C ATOM 104 O PRO A 11 0.263 14.693 -1.255 1.00 0.00 O ATOM 105 CB PRO A 11 -0.399 15.500 1.437 1.00 0.00 C ATOM 106 CG PRO A 11 -0.153 16.902 0.998 1.00 0.00 C ATOM 107 CD PRO A 11 1.320 17.141 1.183 1.00 0.00 C ATOM 0 HA PRO A 11 1.130 13.937 1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.269 15.076 0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.591 15.449 2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.443 17.042 -0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.740 17.605 1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.714 17.823 0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.536 17.582 2.156 1.00 0.00 H new ATOM 115 N CYS A 12 1.115 12.806 -0.373 1.00 0.00 N ATOM 116 CA CYS A 12 1.020 12.051 -1.617 1.00 0.00 C ATOM 117 C CYS A 12 -0.434 11.738 -1.953 1.00 0.00 C ATOM 118 O CYS A 12 -1.330 11.943 -1.133 1.00 0.00 O ATOM 119 CB CYS A 12 1.823 10.754 -1.513 1.00 0.00 C ATOM 120 SG CYS A 12 3.584 11.000 -1.185 1.00 0.00 S ATOM 0 H CYS A 12 1.499 12.279 0.412 1.00 0.00 H new ATOM 0 HA CYS A 12 1.435 12.663 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.399 10.139 -0.719 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.712 10.195 -2.442 1.00 0.00 H new ATOM 0 HG CYS A 12 3.761 11.234 0.082 1.00 0.00 H new ATOM 126 N LEU A 13 -0.662 11.242 -3.164 1.00 0.00 N ATOM 127 CA LEU A 13 -2.009 10.901 -3.610 1.00 0.00 C ATOM 128 C LEU A 13 -2.345 9.453 -3.271 1.00 0.00 C ATOM 129 O LEU A 13 -1.465 8.610 -3.097 1.00 0.00 O ATOM 130 CB LEU A 13 -2.140 11.128 -5.118 1.00 0.00 C ATOM 131 CG LEU A 13 -2.284 12.582 -5.568 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.064 12.700 -7.068 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.652 13.126 -5.183 1.00 0.00 C ATOM 0 H LEU A 13 0.068 11.067 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.713 11.549 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.263 10.703 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.006 10.571 -5.475 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.523 13.177 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.170 13.742 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.062 12.350 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.802 12.093 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.737 14.162 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.429 12.529 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.772 13.077 -4.101 1.00 0.00 H new ATOM 145 N PRO A 14 -3.649 9.154 -3.176 1.00 0.00 N ATOM 146 CA PRO A 14 -4.132 7.807 -2.860 1.00 0.00 C ATOM 147 C PRO A 14 -3.889 6.822 -3.998 1.00 0.00 C ATOM 148 O PRO A 14 -3.990 7.161 -5.177 1.00 0.00 O ATOM 149 CB PRO A 14 -5.633 8.010 -2.641 1.00 0.00 C ATOM 150 CG PRO A 14 -5.970 9.228 -3.431 1.00 0.00 C ATOM 151 CD PRO A 14 -4.753 10.109 -3.372 1.00 0.00 C ATOM 0 HA PRO A 14 -3.616 7.381 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.203 7.146 -2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.864 8.147 -1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.215 8.970 -4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.840 9.735 -3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.629 10.684 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.815 10.825 -2.553 1.00 0.00 H new ATOM 159 N PRO A 15 -3.560 5.572 -3.640 1.00 0.00 N ATOM 160 CA PRO A 15 -3.296 4.512 -4.618 1.00 0.00 C ATOM 161 C PRO A 15 -4.558 4.074 -5.352 1.00 0.00 C ATOM 162 O PRO A 15 -5.633 3.980 -4.758 1.00 0.00 O ATOM 163 CB PRO A 15 -2.751 3.366 -3.760 1.00 0.00 C ATOM 164 CG PRO A 15 -3.321 3.604 -2.404 1.00 0.00 C ATOM 165 CD PRO A 15 -3.420 5.097 -2.253 1.00 0.00 C ATOM 0 HA PRO A 15 -2.612 4.840 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.057 2.397 -4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.661 3.372 -3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.300 3.136 -2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.683 3.175 -1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.276 5.383 -1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.533 5.512 -1.774 1.00 0.00 H new ATOM 173 N ARG A 16 -4.421 3.806 -6.647 1.00 0.00 N ATOM 174 CA ARG A 16 -5.552 3.378 -7.462 1.00 0.00 C ATOM 175 C ARG A 16 -5.591 1.858 -7.583 1.00 0.00 C ATOM 176 O ARG A 16 -4.661 1.241 -8.106 1.00 0.00 O ATOM 177 CB ARG A 16 -5.471 4.009 -8.854 1.00 0.00 C ATOM 178 CG ARG A 16 -6.015 5.427 -8.912 1.00 0.00 C ATOM 179 CD ARG A 16 -7.520 5.456 -8.699 1.00 0.00 C ATOM 180 NE ARG A 16 -8.143 6.607 -9.347 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.378 7.020 -9.084 1.00 0.00 C ATOM 182 NH1 ARG A 16 -10.119 6.378 -8.191 1.00 0.00 N ATOM 183 NH2 ARG A 16 -9.874 8.076 -9.716 1.00 0.00 N ATOM 0 H ARG A 16 -3.539 3.878 -7.154 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.467 3.709 -6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.431 4.014 -9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.024 3.388 -9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.527 6.036 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.775 5.871 -9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.959 4.538 -9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.734 5.482 -7.631 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.600 7.122 -10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.741 5.565 -7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.067 6.697 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.307 8.571 -10.404 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.822 8.393 -9.514 1.00 0.00 H new ATOM 197 N LEU A 17 -6.672 1.259 -7.095 1.00 0.00 N ATOM 198 CA LEU A 17 -6.832 -0.190 -7.147 1.00 0.00 C ATOM 199 C LEU A 17 -6.445 -0.732 -8.519 1.00 0.00 C ATOM 200 O LEU A 17 -7.047 -0.374 -9.531 1.00 0.00 O ATOM 201 CB LEU A 17 -8.277 -0.575 -6.824 1.00 0.00 C ATOM 202 CG LEU A 17 -8.700 -1.989 -7.222 1.00 0.00 C ATOM 203 CD1 LEU A 17 -7.963 -3.023 -6.385 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.206 -2.156 -7.076 1.00 0.00 C ATOM 0 H LEU A 17 -7.450 1.754 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.169 -0.631 -6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.431 -0.460 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.940 0.134 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.437 -2.145 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.277 -4.023 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.889 -2.919 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.193 -2.869 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.489 -3.168 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.493 -1.980 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.716 -1.440 -7.720 1.00 0.00 H new ATOM 216 N GLN A 18 -5.437 -1.599 -8.545 1.00 0.00 N ATOM 217 CA GLN A 18 -4.971 -2.191 -9.793 1.00 0.00 C ATOM 218 C GLN A 18 -5.931 -3.273 -10.274 1.00 0.00 C ATOM 219 O GLN A 18 -6.468 -4.040 -9.476 1.00 0.00 O ATOM 220 CB GLN A 18 -3.570 -2.779 -9.611 1.00 0.00 C ATOM 221 CG GLN A 18 -2.768 -2.850 -10.900 1.00 0.00 C ATOM 222 CD GLN A 18 -1.620 -3.836 -10.819 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.786 -5.024 -11.097 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.445 -3.348 -10.437 1.00 0.00 N ATOM 0 H GLN A 18 -4.928 -1.906 -7.716 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.932 -1.405 -10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.024 -2.176 -8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.657 -3.781 -9.192 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.429 -3.134 -11.719 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.376 -1.860 -11.135 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.352 -2.357 -10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.364 -3.965 -10.365 1.00 0.00 H new ATOM 233 N GLY A 19 -6.144 -3.329 -11.585 1.00 0.00 N ATOM 234 CA GLY A 19 -7.040 -4.321 -12.150 1.00 0.00 C ATOM 235 C GLY A 19 -8.276 -4.536 -11.300 1.00 0.00 C ATOM 236 O GLY A 19 -9.058 -3.610 -11.083 1.00 0.00 O ATOM 0 H GLY A 19 -5.712 -2.705 -12.266 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.340 -4.007 -13.150 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.508 -5.266 -12.259 1.00 0.00 H new ATOM 240 N ARG A 20 -8.455 -5.761 -10.818 1.00 0.00 N ATOM 241 CA ARG A 20 -9.607 -6.096 -9.989 1.00 0.00 C ATOM 242 C ARG A 20 -9.162 -6.650 -8.638 1.00 0.00 C ATOM 243 O ARG A 20 -8.182 -7.388 -8.534 1.00 0.00 O ATOM 244 CB ARG A 20 -10.496 -7.116 -10.702 1.00 0.00 C ATOM 245 CG ARG A 20 -11.265 -6.536 -11.878 1.00 0.00 C ATOM 246 CD ARG A 20 -12.602 -5.960 -11.440 1.00 0.00 C ATOM 247 NE ARG A 20 -13.120 -4.988 -12.400 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.284 -4.364 -12.258 1.00 0.00 C ATOM 249 NH1 ARG A 20 -15.047 -4.609 -11.202 1.00 0.00 N ATOM 250 NH2 ARG A 20 -14.687 -3.493 -13.174 1.00 0.00 N ATOM 0 H ARG A 20 -7.817 -6.539 -10.987 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.178 -5.183 -9.818 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.877 -7.941 -11.055 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.204 -7.532 -9.985 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.670 -5.756 -12.354 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.429 -7.312 -12.625 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.323 -6.769 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.490 -5.483 -10.466 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.557 -4.777 -13.224 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.741 -5.278 -10.496 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.940 -4.128 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.103 -3.302 -13.988 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.581 -3.014 -13.064 1.00 0.00 H new ATOM 264 N PRO A 21 -9.898 -6.285 -7.578 1.00 0.00 N ATOM 265 CA PRO A 21 -9.599 -6.734 -6.215 1.00 0.00 C ATOM 266 C PRO A 21 -9.876 -8.221 -6.020 1.00 0.00 C ATOM 267 O PRO A 21 -10.474 -8.869 -6.879 1.00 0.00 O ATOM 268 CB PRO A 21 -10.544 -5.896 -5.350 1.00 0.00 C ATOM 269 CG PRO A 21 -11.675 -5.547 -6.254 1.00 0.00 C ATOM 270 CD PRO A 21 -11.080 -5.408 -7.628 1.00 0.00 C ATOM 0 HA PRO A 21 -8.545 -6.607 -5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.890 -6.458 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.048 -5.002 -4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.441 -6.322 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.153 -4.619 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.780 -5.721 -8.403 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.806 -4.376 -7.845 1.00 0.00 H new ATOM 278 N LYS A 22 -9.439 -8.755 -4.885 1.00 0.00 N ATOM 279 CA LYS A 22 -9.641 -10.166 -4.575 1.00 0.00 C ATOM 280 C LYS A 22 -10.435 -10.331 -3.283 1.00 0.00 C ATOM 281 O LYS A 22 -10.821 -9.348 -2.651 1.00 0.00 O ATOM 282 CB LYS A 22 -8.293 -10.880 -4.452 1.00 0.00 C ATOM 283 CG LYS A 22 -7.367 -10.638 -5.631 1.00 0.00 C ATOM 284 CD LYS A 22 -7.604 -11.647 -6.743 1.00 0.00 C ATOM 285 CE LYS A 22 -7.208 -11.084 -8.099 1.00 0.00 C ATOM 286 NZ LYS A 22 -7.458 -12.058 -9.198 1.00 0.00 N ATOM 0 H LYS A 22 -8.942 -8.232 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.210 -10.614 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.798 -10.550 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.467 -11.951 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.521 -9.629 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.331 -10.698 -5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.031 -12.553 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.656 -11.932 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.769 -10.169 -8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.152 -10.814 -8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.175 -11.637 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.904 -12.922 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.470 -12.296 -9.227 1.00 0.00 H new ATOM 300 N ALA A 23 -10.675 -11.579 -2.897 1.00 0.00 N ATOM 301 CA ALA A 23 -11.420 -11.872 -1.679 1.00 0.00 C ATOM 302 C ALA A 23 -10.653 -11.414 -0.443 1.00 0.00 C ATOM 303 O ALA A 23 -11.180 -10.676 0.390 1.00 0.00 O ATOM 304 CB ALA A 23 -11.725 -13.361 -1.592 1.00 0.00 C ATOM 0 H ALA A 23 -10.364 -12.404 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.360 -11.321 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.282 -13.566 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.320 -13.661 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.791 -13.924 -1.582 1.00 0.00 H new ATOM 310 N LYS A 24 -9.406 -11.857 -0.328 1.00 0.00 N ATOM 311 CA LYS A 24 -8.565 -11.493 0.806 1.00 0.00 C ATOM 312 C LYS A 24 -7.293 -10.794 0.338 1.00 0.00 C ATOM 313 O LYS A 24 -6.303 -10.735 1.067 1.00 0.00 O ATOM 314 CB LYS A 24 -8.206 -12.737 1.622 1.00 0.00 C ATOM 315 CG LYS A 24 -9.415 -13.478 2.166 1.00 0.00 C ATOM 316 CD LYS A 24 -9.056 -14.313 3.383 1.00 0.00 C ATOM 317 CE LYS A 24 -10.269 -14.559 4.267 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.039 -15.674 5.227 1.00 0.00 N ATOM 0 H LYS A 24 -8.955 -12.470 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.127 -10.803 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.625 -13.416 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.566 -12.443 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.193 -12.762 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.827 -14.123 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.640 -15.267 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.282 -13.805 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.507 -13.649 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.132 -14.789 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.889 -15.810 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.836 -16.548 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.231 -15.443 5.840 1.00 0.00 H new ATOM 332 N GLU A 25 -7.327 -10.266 -0.882 1.00 0.00 N ATOM 333 CA GLU A 25 -6.176 -9.571 -1.445 1.00 0.00 C ATOM 334 C GLU A 25 -6.621 -8.424 -2.348 1.00 0.00 C ATOM 335 O GLU A 25 -7.725 -8.442 -2.893 1.00 0.00 O ATOM 336 CB GLU A 25 -5.300 -10.546 -2.236 1.00 0.00 C ATOM 337 CG GLU A 25 -4.850 -11.752 -1.428 1.00 0.00 C ATOM 338 CD GLU A 25 -5.842 -12.897 -1.487 1.00 0.00 C ATOM 339 OE1 GLU A 25 -6.918 -12.718 -2.096 1.00 0.00 O ATOM 340 OE2 GLU A 25 -5.544 -13.971 -0.924 1.00 0.00 O ATOM 0 H GLU A 25 -8.139 -10.307 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.595 -9.158 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.852 -10.890 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.421 -10.016 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.884 -12.094 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.705 -11.455 -0.389 1.00 0.00 H new ATOM 347 N ILE A 26 -5.755 -7.428 -2.500 1.00 0.00 N ATOM 348 CA ILE A 26 -6.058 -6.273 -3.336 1.00 0.00 C ATOM 349 C ILE A 26 -4.785 -5.657 -3.904 1.00 0.00 C ATOM 350 O ILE A 26 -3.818 -5.425 -3.178 1.00 0.00 O ATOM 351 CB ILE A 26 -6.830 -5.197 -2.550 1.00 0.00 C ATOM 352 CG1 ILE A 26 -8.030 -5.819 -1.834 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.282 -4.083 -3.482 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.794 -4.839 -0.971 1.00 0.00 C ATOM 0 H ILE A 26 -4.838 -7.398 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.682 -6.631 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.165 -4.770 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.707 -6.241 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.684 -6.645 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.826 -3.330 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.411 -3.624 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.933 -4.495 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.631 -5.349 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.132 -4.435 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.171 -4.025 -1.591 1.00 0.00 H new ATOM 366 N GLN A 27 -4.792 -5.393 -5.207 1.00 0.00 N ATOM 367 CA GLN A 27 -3.637 -4.801 -5.872 1.00 0.00 C ATOM 368 C GLN A 27 -3.782 -3.286 -5.971 1.00 0.00 C ATOM 369 O GLN A 27 -4.883 -2.769 -6.166 1.00 0.00 O ATOM 370 CB GLN A 27 -3.465 -5.401 -7.269 1.00 0.00 C ATOM 371 CG GLN A 27 -3.127 -6.883 -7.257 1.00 0.00 C ATOM 372 CD GLN A 27 -3.637 -7.608 -8.487 1.00 0.00 C ATOM 373 OE1 GLN A 27 -4.774 -7.405 -8.914 1.00 0.00 O ATOM 374 NE2 GLN A 27 -2.798 -8.460 -9.064 1.00 0.00 N ATOM 0 H GLN A 27 -5.584 -5.580 -5.822 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.752 -5.024 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.384 -5.251 -7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.676 -4.861 -7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.046 -7.005 -7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.555 -7.342 -6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.864 -8.598 -8.677 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.087 -8.977 -9.895 1.00 0.00 H new ATOM 383 N LEU A 28 -2.666 -2.580 -5.835 1.00 0.00 N ATOM 384 CA LEU A 28 -2.668 -1.123 -5.908 1.00 0.00 C ATOM 385 C LEU A 28 -1.564 -0.623 -6.834 1.00 0.00 C ATOM 386 O LEU A 28 -0.554 -1.297 -7.033 1.00 0.00 O ATOM 387 CB LEU A 28 -2.490 -0.522 -4.513 1.00 0.00 C ATOM 388 CG LEU A 28 -3.523 -0.940 -3.465 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.929 -0.856 -2.067 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.770 -0.075 -3.570 1.00 0.00 C ATOM 0 H LEU A 28 -1.747 -2.993 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.629 -0.806 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.500 -0.793 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.511 0.564 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.807 -1.975 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.678 -1.157 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.067 -1.519 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.616 0.168 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.494 -0.387 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.503 0.969 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.208 -0.187 -4.562 1.00 0.00 H new ATOM 402 N ARG A 29 -1.763 0.565 -7.396 1.00 0.00 N ATOM 403 CA ARG A 29 -0.784 1.156 -8.300 1.00 0.00 C ATOM 404 C ARG A 29 -0.755 2.675 -8.152 1.00 0.00 C ATOM 405 O ARG A 29 -1.662 3.370 -8.611 1.00 0.00 O ATOM 406 CB ARG A 29 -1.104 0.780 -9.749 1.00 0.00 C ATOM 407 CG ARG A 29 -0.282 1.547 -10.772 1.00 0.00 C ATOM 408 CD ARG A 29 -0.140 0.767 -12.070 1.00 0.00 C ATOM 409 NE ARG A 29 -1.226 1.055 -13.003 1.00 0.00 N ATOM 410 CZ ARG A 29 -1.291 2.160 -13.737 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.337 3.077 -13.647 1.00 0.00 N ATOM 412 NH2 ARG A 29 -2.311 2.350 -14.564 1.00 0.00 N ATOM 0 H ARG A 29 -2.593 1.137 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 29 0.199 0.764 -8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.933 -0.288 -9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.162 0.960 -9.937 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.755 2.508 -10.974 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.706 1.757 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.814 1.012 -12.537 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.123 -0.301 -11.851 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.976 0.370 -13.096 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.449 2.935 -13.013 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.389 3.925 -14.212 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.046 1.647 -14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.360 3.199 -15.127 1.00 0.00 H new ATOM 426 N TRP A 30 0.291 3.181 -7.510 1.00 0.00 N ATOM 427 CA TRP A 30 0.437 4.617 -7.301 1.00 0.00 C ATOM 428 C TRP A 30 1.693 5.142 -7.989 1.00 0.00 C ATOM 429 O TRP A 30 2.385 4.402 -8.686 1.00 0.00 O ATOM 430 CB TRP A 30 0.491 4.933 -5.805 1.00 0.00 C ATOM 431 CG TRP A 30 1.618 4.248 -5.093 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.825 4.790 -4.757 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.643 2.892 -4.632 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.599 3.854 -4.115 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.896 2.682 -4.025 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.727 1.837 -4.671 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.255 1.459 -3.464 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.085 0.624 -4.114 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.339 0.443 -3.516 1.00 0.00 C ATOM 0 H TRP A 30 1.050 2.619 -7.125 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.429 5.113 -7.739 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.588 6.010 -5.672 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.452 4.639 -5.345 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.127 5.806 -4.965 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.544 4.007 -3.763 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.243 1.967 -5.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.222 1.317 -3.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.386 -0.199 -4.140 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.588 -0.517 -3.088 1.00 0.00 H new ATOM 450 N GLY A 31 1.981 6.424 -7.788 1.00 0.00 N ATOM 451 CA GLY A 31 3.153 7.025 -8.396 1.00 0.00 C ATOM 452 C GLY A 31 3.797 8.070 -7.506 1.00 0.00 C ATOM 453 O GLY A 31 3.338 8.339 -6.396 1.00 0.00 O ATOM 0 H GLY A 31 1.423 7.057 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.881 6.246 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.872 7.483 -9.344 1.00 0.00 H new ATOM 457 N PRO A 32 4.889 8.677 -7.994 1.00 0.00 N ATOM 458 CA PRO A 32 5.621 9.707 -7.251 1.00 0.00 C ATOM 459 C PRO A 32 4.832 11.006 -7.130 1.00 0.00 C ATOM 460 O PRO A 32 4.208 11.472 -8.083 1.00 0.00 O ATOM 461 CB PRO A 32 6.881 9.923 -8.092 1.00 0.00 C ATOM 462 CG PRO A 32 6.490 9.519 -9.472 1.00 0.00 C ATOM 463 CD PRO A 32 5.492 8.406 -9.310 1.00 0.00 C ATOM 0 HA PRO A 32 5.824 9.402 -6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.204 10.964 -8.061 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.711 9.320 -7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.055 10.358 -10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.357 9.186 -10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.745 8.417 -10.104 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.973 7.428 -9.338 1.00 0.00 H new ATOM 471 N PRO A 33 4.860 11.606 -5.931 1.00 0.00 N ATOM 472 CA PRO A 33 4.153 12.861 -5.658 1.00 0.00 C ATOM 473 C PRO A 33 4.782 14.050 -6.376 1.00 0.00 C ATOM 474 O PRO A 33 5.852 13.930 -6.975 1.00 0.00 O ATOM 475 CB PRO A 33 4.287 13.021 -4.141 1.00 0.00 C ATOM 476 CG PRO A 33 5.519 12.261 -3.788 1.00 0.00 C ATOM 477 CD PRO A 33 5.583 11.107 -4.750 1.00 0.00 C ATOM 0 HA PRO A 33 3.121 12.831 -6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.375 14.070 -3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.414 12.624 -3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.404 12.891 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.478 11.908 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.612 10.842 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.112 10.214 -4.338 1.00 0.00 H new ATOM 485 N LEU A 34 4.113 15.195 -6.312 1.00 0.00 N ATOM 486 CA LEU A 34 4.608 16.407 -6.957 1.00 0.00 C ATOM 487 C LEU A 34 5.571 17.157 -6.042 1.00 0.00 C ATOM 488 O LEU A 34 6.520 17.788 -6.505 1.00 0.00 O ATOM 489 CB LEU A 34 3.440 17.317 -7.342 1.00 0.00 C ATOM 490 CG LEU A 34 2.843 17.090 -8.732 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.387 17.529 -8.765 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.650 17.833 -9.786 1.00 0.00 C ATOM 0 H LEU A 34 3.227 15.311 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 34 5.146 16.115 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.648 17.191 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.775 18.352 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 34 2.885 16.024 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.979 17.360 -9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.817 16.953 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.321 18.589 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.211 17.660 -10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.640 18.901 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.678 17.471 -9.779 1.00 0.00 H new ATOM 504 N VAL A 35 5.321 17.080 -4.738 1.00 0.00 N ATOM 505 CA VAL A 35 6.167 17.749 -3.757 1.00 0.00 C ATOM 506 C VAL A 35 7.034 16.745 -3.005 1.00 0.00 C ATOM 507 O VAL A 35 6.621 16.197 -1.983 1.00 0.00 O ATOM 508 CB VAL A 35 5.327 18.547 -2.742 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.183 19.594 -2.046 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.134 19.194 -3.430 1.00 0.00 C ATOM 0 H VAL A 35 4.540 16.561 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 35 6.807 18.438 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 35 4.952 17.858 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.572 20.148 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.001 19.103 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.590 20.282 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.551 19.754 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.486 19.871 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.509 18.421 -3.877 1.00 0.00 H new ATOM 520 N ASP A 36 8.237 16.510 -3.517 1.00 0.00 N ATOM 521 CA ASP A 36 9.164 15.574 -2.893 1.00 0.00 C ATOM 522 C ASP A 36 9.979 16.261 -1.802 1.00 0.00 C ATOM 523 O ASP A 36 11.070 15.814 -1.453 1.00 0.00 O ATOM 524 CB ASP A 36 10.099 14.973 -3.943 1.00 0.00 C ATOM 525 CG ASP A 36 11.067 15.994 -4.509 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.290 17.030 -3.848 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.601 15.756 -5.612 1.00 0.00 O ATOM 0 H ASP A 36 8.593 16.955 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 36 8.581 14.774 -2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.661 14.152 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.506 14.550 -4.754 1.00 0.00 H new ATOM 532 N GLY A 37 9.440 17.353 -1.267 1.00 0.00 N ATOM 533 CA GLY A 37 10.131 18.085 -0.222 1.00 0.00 C ATOM 534 C GLY A 37 11.448 18.666 -0.695 1.00 0.00 C ATOM 535 O GLY A 37 12.303 19.025 0.114 1.00 0.00 O ATOM 0 H GLY A 37 8.538 17.743 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.490 18.890 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.313 17.421 0.623 1.00 0.00 H new ATOM 539 N GLY A 38 11.614 18.758 -2.011 1.00 0.00 N ATOM 540 CA GLY A 38 12.841 19.298 -2.569 1.00 0.00 C ATOM 541 C GLY A 38 13.867 18.222 -2.863 1.00 0.00 C ATOM 542 O GLY A 38 14.764 18.418 -3.683 1.00 0.00 O ATOM 0 H GLY A 38 10.921 18.468 -2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.612 19.838 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.266 20.020 -1.872 1.00 0.00 H new ATOM 546 N SER A 39 13.737 17.082 -2.192 1.00 0.00 N ATOM 547 CA SER A 39 14.664 15.973 -2.381 1.00 0.00 C ATOM 548 C SER A 39 13.987 14.819 -3.115 1.00 0.00 C ATOM 549 O SER A 39 12.774 14.625 -3.035 1.00 0.00 O ATOM 550 CB SER A 39 15.199 15.491 -1.032 1.00 0.00 C ATOM 551 OG SER A 39 16.351 16.221 -0.649 1.00 0.00 O ATOM 0 H SER A 39 12.998 16.902 -1.512 1.00 0.00 H new ATOM 0 HA SER A 39 15.497 16.328 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.426 15.600 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.440 14.430 -1.091 1.00 0.00 H new ATOM 0 HG SER A 39 16.486 16.136 0.318 1.00 0.00 H new ATOM 557 N PRO A 40 14.790 14.033 -3.848 1.00 0.00 N ATOM 558 CA PRO A 40 14.292 12.884 -4.610 1.00 0.00 C ATOM 559 C PRO A 40 13.836 11.743 -3.707 1.00 0.00 C ATOM 560 O PRO A 40 14.634 11.173 -2.961 1.00 0.00 O ATOM 561 CB PRO A 40 15.505 12.457 -5.440 1.00 0.00 C ATOM 562 CG PRO A 40 16.683 12.935 -4.664 1.00 0.00 C ATOM 563 CD PRO A 40 16.246 14.205 -3.988 1.00 0.00 C ATOM 0 HA PRO A 40 13.417 13.140 -5.208 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.532 11.376 -5.574 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.480 12.901 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.996 12.191 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.535 13.115 -5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.731 14.332 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.491 15.083 -4.585 1.00 0.00 H new ATOM 571 N ILE A 41 12.551 11.415 -3.779 1.00 0.00 N ATOM 572 CA ILE A 41 11.991 10.341 -2.968 1.00 0.00 C ATOM 573 C ILE A 41 12.940 9.150 -2.902 1.00 0.00 C ATOM 574 O ILE A 41 13.623 8.832 -3.876 1.00 0.00 O ATOM 575 CB ILE A 41 10.632 9.870 -3.520 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.650 11.041 -3.586 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.070 8.749 -2.658 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.310 11.622 -2.232 1.00 0.00 C ATOM 0 H ILE A 41 11.878 11.877 -4.390 1.00 0.00 H new ATOM 0 HA ILE A 41 11.848 10.744 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 41 10.780 9.487 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.074 11.825 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.732 10.708 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.110 8.427 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.764 7.908 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.934 9.108 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.609 12.448 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.856 10.851 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.219 11.986 -1.754 1.00 0.00 H new ATOM 590 N SER A 42 12.977 8.492 -1.747 1.00 0.00 N ATOM 591 CA SER A 42 13.844 7.337 -1.552 1.00 0.00 C ATOM 592 C SER A 42 13.024 6.055 -1.437 1.00 0.00 C ATOM 593 O SER A 42 13.310 5.060 -2.105 1.00 0.00 O ATOM 594 CB SER A 42 14.701 7.521 -0.299 1.00 0.00 C ATOM 595 OG SER A 42 15.863 8.282 -0.583 1.00 0.00 O ATOM 0 H SER A 42 12.416 8.740 -0.932 1.00 0.00 H new ATOM 0 HA SER A 42 14.497 7.254 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.117 8.019 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.988 6.546 0.095 1.00 0.00 H new ATOM 0 HG SER A 42 16.393 8.387 0.234 1.00 0.00 H new ATOM 601 N CYS A 43 12.004 6.087 -0.587 1.00 0.00 N ATOM 602 CA CYS A 43 11.142 4.929 -0.382 1.00 0.00 C ATOM 603 C CYS A 43 9.727 5.363 -0.013 1.00 0.00 C ATOM 604 O CYS A 43 9.516 6.470 0.482 1.00 0.00 O ATOM 605 CB CYS A 43 11.715 4.028 0.713 1.00 0.00 C ATOM 606 SG CYS A 43 13.333 3.324 0.318 1.00 0.00 S ATOM 0 H CYS A 43 11.754 6.903 -0.028 1.00 0.00 H new ATOM 0 HA CYS A 43 11.098 4.369 -1.316 1.00 0.00 H new ATOM 0 HB2 CYS A 43 11.796 4.602 1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.014 3.215 0.904 1.00 0.00 H new ATOM 0 HG CYS A 43 13.753 3.810 -0.812 1.00 0.00 H new ATOM 612 N TYR A 44 8.762 4.483 -0.257 1.00 0.00 N ATOM 613 CA TYR A 44 7.366 4.777 0.047 1.00 0.00 C ATOM 614 C TYR A 44 6.831 3.830 1.117 1.00 0.00 C ATOM 615 O TYR A 44 7.500 2.873 1.506 1.00 0.00 O ATOM 616 CB TYR A 44 6.514 4.668 -1.219 1.00 0.00 C ATOM 617 CG TYR A 44 6.829 5.724 -2.254 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.177 6.951 -2.243 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.779 5.495 -3.242 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.462 7.919 -3.187 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.070 6.458 -4.189 1.00 0.00 C ATOM 622 CZ TYR A 44 7.409 7.668 -4.158 1.00 0.00 C ATOM 623 OH TYR A 44 7.696 8.629 -5.099 1.00 0.00 O ATOM 0 H TYR A 44 8.920 3.561 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 44 7.310 5.796 0.429 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.660 3.683 -1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.461 4.742 -0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.435 7.151 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.298 4.549 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.946 8.867 -3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.812 6.264 -4.950 1.00 0.00 H new ATOM 0 HH TYR A 44 8.386 8.294 -5.709 1.00 0.00 H new ATOM 633 N SER A 45 5.619 4.106 1.589 1.00 0.00 N ATOM 634 CA SER A 45 4.993 3.282 2.616 1.00 0.00 C ATOM 635 C SER A 45 3.473 3.314 2.487 1.00 0.00 C ATOM 636 O SER A 45 2.867 4.382 2.413 1.00 0.00 O ATOM 637 CB SER A 45 5.408 3.764 4.008 1.00 0.00 C ATOM 638 OG SER A 45 4.667 3.101 5.018 1.00 0.00 O ATOM 0 H SER A 45 5.051 4.894 1.276 1.00 0.00 H new ATOM 0 HA SER A 45 5.330 2.255 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.473 3.584 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.253 4.840 4.085 1.00 0.00 H new ATOM 0 HG SER A 45 5.144 3.169 5.872 1.00 0.00 H new ATOM 644 N VAL A 46 2.864 2.133 2.459 1.00 0.00 N ATOM 645 CA VAL A 46 1.415 2.023 2.339 1.00 0.00 C ATOM 646 C VAL A 46 0.788 1.572 3.653 1.00 0.00 C ATOM 647 O VAL A 46 1.010 0.449 4.105 1.00 0.00 O ATOM 648 CB VAL A 46 1.017 1.035 1.227 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.495 0.995 1.064 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.693 1.408 -0.084 1.00 0.00 C ATOM 0 H VAL A 46 3.351 1.239 2.518 1.00 0.00 H new ATOM 0 HA VAL A 46 1.042 3.015 2.083 1.00 0.00 H new ATOM 0 HB VAL A 46 1.354 0.039 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.757 0.291 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.954 0.677 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.859 1.988 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.401 0.699 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.388 2.413 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.775 1.380 0.044 1.00 0.00 H new ATOM 660 N GLU A 47 0.002 2.455 4.262 1.00 0.00 N ATOM 661 CA GLU A 47 -0.658 2.146 5.525 1.00 0.00 C ATOM 662 C GLU A 47 -2.141 1.860 5.309 1.00 0.00 C ATOM 663 O GLU A 47 -2.956 2.779 5.233 1.00 0.00 O ATOM 664 CB GLU A 47 -0.489 3.305 6.510 1.00 0.00 C ATOM 665 CG GLU A 47 -1.061 3.019 7.889 1.00 0.00 C ATOM 666 CD GLU A 47 -0.756 4.120 8.886 1.00 0.00 C ATOM 667 OE1 GLU A 47 -1.020 5.299 8.567 1.00 0.00 O ATOM 668 OE2 GLU A 47 -0.253 3.804 9.985 1.00 0.00 O ATOM 0 H GLU A 47 -0.193 3.389 3.901 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.191 1.253 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.572 3.537 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.974 4.192 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.141 2.893 7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.656 2.077 8.258 1.00 0.00 H new ATOM 675 N MET A 48 -2.482 0.580 5.210 1.00 0.00 N ATOM 676 CA MET A 48 -3.867 0.172 5.003 1.00 0.00 C ATOM 677 C MET A 48 -4.586 -0.007 6.336 1.00 0.00 C ATOM 678 O MET A 48 -3.980 -0.407 7.330 1.00 0.00 O ATOM 679 CB MET A 48 -3.924 -1.129 4.200 1.00 0.00 C ATOM 680 CG MET A 48 -5.334 -1.665 4.010 1.00 0.00 C ATOM 681 SD MET A 48 -5.364 -3.435 3.670 1.00 0.00 S ATOM 682 CE MET A 48 -5.153 -4.100 5.320 1.00 0.00 C ATOM 0 H MET A 48 -1.819 -0.193 5.270 1.00 0.00 H new ATOM 0 HA MET A 48 -4.371 0.959 4.442 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.473 -0.963 3.222 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.322 -1.885 4.705 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.920 -1.461 4.906 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.813 -1.133 3.188 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.472 -4.950 5.285 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.740 -3.331 5.972 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.119 -4.424 5.708 1.00 0.00 H new ATOM 692 N SER A 49 -5.881 0.291 6.350 1.00 0.00 N ATOM 693 CA SER A 49 -6.682 0.167 7.562 1.00 0.00 C ATOM 694 C SER A 49 -8.137 -0.141 7.224 1.00 0.00 C ATOM 695 O SER A 49 -8.735 0.462 6.332 1.00 0.00 O ATOM 696 CB SER A 49 -6.599 1.452 8.388 1.00 0.00 C ATOM 697 OG SER A 49 -7.786 1.655 9.136 1.00 0.00 O ATOM 0 H SER A 49 -6.398 0.620 5.535 1.00 0.00 H new ATOM 0 HA SER A 49 -6.281 -0.660 8.149 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.745 1.400 9.063 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.432 2.303 7.727 1.00 0.00 H new ATOM 0 HG SER A 49 -7.707 2.482 9.656 1.00 0.00 H new ATOM 703 N PRO A 50 -8.723 -1.103 7.952 1.00 0.00 N ATOM 704 CA PRO A 50 -10.115 -1.514 7.748 1.00 0.00 C ATOM 705 C PRO A 50 -11.106 -0.441 8.188 1.00 0.00 C ATOM 706 O PRO A 50 -11.316 -0.230 9.383 1.00 0.00 O ATOM 707 CB PRO A 50 -10.250 -2.759 8.627 1.00 0.00 C ATOM 708 CG PRO A 50 -9.213 -2.592 9.684 1.00 0.00 C ATOM 709 CD PRO A 50 -8.070 -1.864 9.031 1.00 0.00 C ATOM 0 HA PRO A 50 -10.337 -1.693 6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.248 -2.832 9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.085 -3.670 8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.605 -2.026 10.529 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.890 -3.559 10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.558 -1.206 9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.324 -2.556 8.640 1.00 0.00 H new ATOM 717 N ILE A 51 -11.712 0.232 7.217 1.00 0.00 N ATOM 718 CA ILE A 51 -12.682 1.281 7.505 1.00 0.00 C ATOM 719 C ILE A 51 -13.518 0.935 8.733 1.00 0.00 C ATOM 720 O ILE A 51 -13.862 1.809 9.527 1.00 0.00 O ATOM 721 CB ILE A 51 -13.623 1.522 6.309 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.905 2.217 6.773 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.948 0.206 5.617 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.525 3.107 5.719 1.00 0.00 C ATOM 0 H ILE A 51 -11.549 0.070 6.223 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.114 2.191 7.699 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.118 2.171 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.631 1.461 7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.685 2.814 7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.614 0.393 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.027 -0.253 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.436 -0.466 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.430 3.567 6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.816 3.886 5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.777 2.511 4.842 1.00 0.00 H new ATOM 736 N GLU A 52 -13.838 -0.347 8.882 1.00 0.00 N ATOM 737 CA GLU A 52 -14.632 -0.808 10.015 1.00 0.00 C ATOM 738 C GLU A 52 -13.965 -0.433 11.335 1.00 0.00 C ATOM 739 O GLU A 52 -14.615 0.072 12.251 1.00 0.00 O ATOM 740 CB GLU A 52 -14.831 -2.323 9.943 1.00 0.00 C ATOM 741 CG GLU A 52 -13.556 -3.091 9.640 1.00 0.00 C ATOM 742 CD GLU A 52 -13.765 -4.593 9.641 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.453 -5.096 10.553 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.240 -5.265 8.728 1.00 0.00 O ATOM 0 H GLU A 52 -13.560 -1.084 8.233 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.605 -0.319 9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.239 -2.673 10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.571 -2.548 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.173 -2.782 8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.797 -2.833 10.378 1.00 0.00 H new ATOM 751 N LYS A 53 -12.664 -0.686 11.427 1.00 0.00 N ATOM 752 CA LYS A 53 -11.907 -0.375 12.633 1.00 0.00 C ATOM 753 C LYS A 53 -10.601 0.333 12.289 1.00 0.00 C ATOM 754 O LYS A 53 -9.941 -0.004 11.305 1.00 0.00 O ATOM 755 CB LYS A 53 -11.613 -1.655 13.419 1.00 0.00 C ATOM 756 CG LYS A 53 -10.671 -2.607 12.702 1.00 0.00 C ATOM 757 CD LYS A 53 -10.595 -3.951 13.406 1.00 0.00 C ATOM 758 CE LYS A 53 -10.262 -5.072 12.432 1.00 0.00 C ATOM 759 NZ LYS A 53 -9.557 -6.199 13.103 1.00 0.00 N ATOM 0 H LYS A 53 -12.112 -1.106 10.680 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.510 0.292 13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.181 -1.388 14.383 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.552 -2.170 13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.009 -2.751 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.676 -2.165 12.650 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.838 -3.911 14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.547 -4.162 13.894 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.180 -5.439 11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.639 -4.681 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.513 -7.014 12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.592 -5.904 13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.073 -6.467 13.965 1.00 0.00 H new ATOM 773 N ASP A 54 -10.232 1.314 13.105 1.00 0.00 N ATOM 774 CA ASP A 54 -9.003 2.068 12.888 1.00 0.00 C ATOM 775 C ASP A 54 -7.783 1.250 13.300 1.00 0.00 C ATOM 776 O ASP A 54 -7.309 1.352 14.431 1.00 0.00 O ATOM 777 CB ASP A 54 -9.040 3.381 13.671 1.00 0.00 C ATOM 778 CG ASP A 54 -7.850 4.270 13.367 1.00 0.00 C ATOM 779 OD1 ASP A 54 -7.301 4.165 12.251 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.467 5.071 14.246 1.00 0.00 O ATOM 0 H ASP A 54 -10.767 1.606 13.923 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.926 2.291 11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.960 3.916 13.434 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.064 3.163 14.739 1.00 0.00 H new ATOM 785 N GLU A 55 -7.282 0.437 12.375 1.00 0.00 N ATOM 786 CA GLU A 55 -6.119 -0.400 12.644 1.00 0.00 C ATOM 787 C GLU A 55 -5.088 -0.275 11.526 1.00 0.00 C ATOM 788 O GLU A 55 -4.814 -1.223 10.790 1.00 0.00 O ATOM 789 CB GLU A 55 -6.541 -1.862 12.802 1.00 0.00 C ATOM 790 CG GLU A 55 -5.636 -2.661 13.726 1.00 0.00 C ATOM 791 CD GLU A 55 -5.933 -4.147 13.691 1.00 0.00 C ATOM 792 OE1 GLU A 55 -7.100 -4.514 13.442 1.00 0.00 O ATOM 793 OE2 GLU A 55 -4.997 -4.944 13.913 1.00 0.00 O ATOM 0 H GLU A 55 -7.663 0.340 11.434 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.664 -0.058 13.574 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.561 -1.898 13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.553 -2.336 11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.597 -2.495 13.443 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.751 -2.295 14.746 1.00 0.00 H new ATOM 800 N PRO A 56 -4.502 0.925 11.393 1.00 0.00 N ATOM 801 CA PRO A 56 -3.493 1.204 10.368 1.00 0.00 C ATOM 802 C PRO A 56 -2.177 0.483 10.638 1.00 0.00 C ATOM 803 O PRO A 56 -1.683 0.475 11.766 1.00 0.00 O ATOM 804 CB PRO A 56 -3.301 2.720 10.463 1.00 0.00 C ATOM 805 CG PRO A 56 -3.689 3.064 11.859 1.00 0.00 C ATOM 806 CD PRO A 56 -4.780 2.101 12.235 1.00 0.00 C ATOM 0 HA PRO A 56 -3.808 0.861 9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.268 3.002 10.258 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.924 3.244 9.738 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.838 2.973 12.534 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.038 4.094 11.924 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.748 1.852 13.296 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.768 2.515 12.034 1.00 0.00 H new ATOM 814 N ARG A 57 -1.614 -0.122 9.597 1.00 0.00 N ATOM 815 CA ARG A 57 -0.355 -0.847 9.724 1.00 0.00 C ATOM 816 C ARG A 57 0.393 -0.872 8.394 1.00 0.00 C ATOM 817 O ARG A 57 -0.217 -0.954 7.329 1.00 0.00 O ATOM 818 CB ARG A 57 -0.611 -2.277 10.204 1.00 0.00 C ATOM 819 CG ARG A 57 -1.243 -3.170 9.149 1.00 0.00 C ATOM 820 CD ARG A 57 -2.747 -2.961 9.070 1.00 0.00 C ATOM 821 NE ARG A 57 -3.471 -3.853 9.972 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.492 -5.175 9.838 1.00 0.00 C ATOM 823 NH1 ARG A 57 -2.832 -5.754 8.845 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.174 -5.920 10.699 1.00 0.00 N ATOM 0 H ARG A 57 -2.009 -0.125 8.657 1.00 0.00 H new ATOM 0 HA ARG A 57 0.261 -0.329 10.459 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.333 -2.718 10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.261 -2.247 11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.794 -2.961 8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.031 -4.214 9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.983 -1.926 9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.083 -3.129 8.047 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.989 -3.439 10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.306 -5.185 8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.850 -6.769 8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.683 -5.478 11.465 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.189 -6.935 10.595 1.00 0.00 H new ATOM 838 N GLU A 58 1.719 -0.800 8.466 1.00 0.00 N ATOM 839 CA GLU A 58 2.550 -0.813 7.267 1.00 0.00 C ATOM 840 C GLU A 58 2.427 -2.146 6.535 1.00 0.00 C ATOM 841 O GLU A 58 3.132 -3.106 6.848 1.00 0.00 O ATOM 842 CB GLU A 58 4.013 -0.551 7.631 1.00 0.00 C ATOM 843 CG GLU A 58 4.984 -0.849 6.501 1.00 0.00 C ATOM 844 CD GLU A 58 6.432 -0.794 6.947 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.828 0.225 7.550 1.00 0.00 O ATOM 846 OE2 GLU A 58 7.169 -1.769 6.692 1.00 0.00 O ATOM 0 H GLU A 58 2.240 -0.732 9.340 1.00 0.00 H new ATOM 0 HA GLU A 58 2.201 -0.021 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.124 0.492 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.278 -1.159 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.770 -1.837 6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.829 -0.132 5.695 1.00 0.00 H new ATOM 853 N VAL A 59 1.527 -2.198 5.558 1.00 0.00 N ATOM 854 CA VAL A 59 1.312 -3.412 4.780 1.00 0.00 C ATOM 855 C VAL A 59 2.302 -3.508 3.626 1.00 0.00 C ATOM 856 O VAL A 59 2.381 -4.530 2.944 1.00 0.00 O ATOM 857 CB VAL A 59 -0.121 -3.472 4.219 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.140 -3.354 5.342 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.333 -2.382 3.180 1.00 0.00 C ATOM 0 H VAL A 59 0.935 -1.413 5.287 1.00 0.00 H new ATOM 0 HA VAL A 59 1.465 -4.253 5.457 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.261 -4.438 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.147 -3.398 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.002 -4.174 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.003 -2.405 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.351 -2.440 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.173 -1.406 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.373 -2.518 2.361 1.00 0.00 H new ATOM 869 N TYR A 60 3.058 -2.437 3.411 1.00 0.00 N ATOM 870 CA TYR A 60 4.043 -2.399 2.337 1.00 0.00 C ATOM 871 C TYR A 60 5.051 -1.276 2.562 1.00 0.00 C ATOM 872 O TYR A 60 4.725 -0.243 3.147 1.00 0.00 O ATOM 873 CB TYR A 60 3.349 -2.214 0.986 1.00 0.00 C ATOM 874 CG TYR A 60 4.308 -2.126 -0.180 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.819 -3.275 -0.771 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.703 -0.896 -0.689 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.696 -3.200 -1.837 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.578 -0.811 -1.755 1.00 0.00 C ATOM 879 CZ TYR A 60 6.072 -1.966 -2.325 1.00 0.00 C ATOM 880 OH TYR A 60 6.944 -1.886 -3.386 1.00 0.00 O ATOM 0 H TYR A 60 3.007 -1.583 3.967 1.00 0.00 H new ATOM 0 HA TYR A 60 4.578 -3.348 2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.665 -3.047 0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.745 -1.307 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.526 -4.243 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.320 0.010 -0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.085 -4.103 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.873 0.154 -2.140 1.00 0.00 H new ATOM 0 HH TYR A 60 6.835 -2.674 -3.959 1.00 0.00 H new ATOM 890 N GLN A 61 6.276 -1.487 2.092 1.00 0.00 N ATOM 891 CA GLN A 61 7.333 -0.493 2.241 1.00 0.00 C ATOM 892 C GLN A 61 8.523 -0.825 1.348 1.00 0.00 C ATOM 893 O GLN A 61 9.200 -1.833 1.549 1.00 0.00 O ATOM 894 CB GLN A 61 7.782 -0.411 3.701 1.00 0.00 C ATOM 895 CG GLN A 61 8.678 0.782 3.996 1.00 0.00 C ATOM 896 CD GLN A 61 8.966 0.944 5.476 1.00 0.00 C ATOM 897 OE1 GLN A 61 8.212 1.817 6.134 1.00 0.00 O flip ATOM 898 NE2 GLN A 61 9.856 0.291 6.021 1.00 0.00 N flip ATOM 0 H GLN A 61 6.561 -2.337 1.605 1.00 0.00 H new ATOM 0 HA GLN A 61 6.933 0.474 1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.901 -0.360 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.313 -1.327 3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.619 0.667 3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.204 1.689 3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.411 -0.369 5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.038 0.410 7.017 1.00 0.00 H new ATOM 907 N GLY A 62 8.773 0.029 0.360 1.00 0.00 N ATOM 908 CA GLY A 62 9.882 -0.192 -0.549 1.00 0.00 C ATOM 909 C GLY A 62 10.190 1.027 -1.395 1.00 0.00 C ATOM 910 O GLY A 62 10.018 2.161 -0.948 1.00 0.00 O ATOM 0 H GLY A 62 8.227 0.870 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.768 -0.466 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.651 -1.034 -1.201 1.00 0.00 H new ATOM 914 N SER A 63 10.650 0.794 -2.620 1.00 0.00 N ATOM 915 CA SER A 63 10.988 1.883 -3.529 1.00 0.00 C ATOM 916 C SER A 63 10.017 1.931 -4.705 1.00 0.00 C ATOM 917 O SER A 63 9.847 2.971 -5.341 1.00 0.00 O ATOM 918 CB SER A 63 12.420 1.721 -4.042 1.00 0.00 C ATOM 919 OG SER A 63 12.597 0.464 -4.672 1.00 0.00 O ATOM 0 H SER A 63 10.797 -0.139 -3.006 1.00 0.00 H new ATOM 0 HA SER A 63 10.910 2.820 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.650 2.520 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.120 1.817 -3.212 1.00 0.00 H new ATOM 0 HG SER A 63 13.520 0.386 -4.993 1.00 0.00 H new ATOM 925 N GLU A 64 9.383 0.798 -4.987 1.00 0.00 N ATOM 926 CA GLU A 64 8.429 0.710 -6.087 1.00 0.00 C ATOM 927 C GLU A 64 7.167 1.511 -5.778 1.00 0.00 C ATOM 928 O GLU A 64 7.007 2.039 -4.677 1.00 0.00 O ATOM 929 CB GLU A 64 8.065 -0.751 -6.361 1.00 0.00 C ATOM 930 CG GLU A 64 8.986 -1.430 -7.360 1.00 0.00 C ATOM 931 CD GLU A 64 8.504 -1.285 -8.790 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.371 -1.722 -9.081 1.00 0.00 O ATOM 933 OE2 GLU A 64 9.260 -0.734 -9.618 1.00 0.00 O ATOM 0 H GLU A 64 9.512 -0.072 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 64 8.898 1.132 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.089 -1.305 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.041 -0.798 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.986 -1.006 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.066 -2.489 -7.113 1.00 0.00 H new ATOM 940 N VAL A 65 6.273 1.597 -6.758 1.00 0.00 N ATOM 941 CA VAL A 65 5.025 2.332 -6.592 1.00 0.00 C ATOM 942 C VAL A 65 3.821 1.440 -6.869 1.00 0.00 C ATOM 943 O VAL A 65 2.742 1.925 -7.209 1.00 0.00 O ATOM 944 CB VAL A 65 4.968 3.558 -7.524 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.168 4.463 -7.291 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.895 3.117 -8.978 1.00 0.00 C ATOM 0 H VAL A 65 6.390 1.167 -7.675 1.00 0.00 H new ATOM 0 HA VAL A 65 4.992 2.670 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 65 4.067 4.126 -7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.110 5.323 -7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.170 4.806 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.085 3.910 -7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.855 3.995 -9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.777 2.526 -9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.000 2.514 -9.131 1.00 0.00 H new ATOM 956 N GLU A 66 4.013 0.133 -6.720 1.00 0.00 N ATOM 957 CA GLU A 66 2.941 -0.828 -6.954 1.00 0.00 C ATOM 958 C GLU A 66 3.181 -2.114 -6.169 1.00 0.00 C ATOM 959 O GLU A 66 4.258 -2.707 -6.244 1.00 0.00 O ATOM 960 CB GLU A 66 2.826 -1.143 -8.447 1.00 0.00 C ATOM 961 CG GLU A 66 4.152 -1.500 -9.098 1.00 0.00 C ATOM 962 CD GLU A 66 3.978 -2.283 -10.385 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.845 -1.647 -11.452 1.00 0.00 O ATOM 964 OE2 GLU A 66 3.975 -3.530 -10.326 1.00 0.00 O ATOM 0 H GLU A 66 4.900 -0.284 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 66 2.007 -0.383 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.130 -1.971 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.400 -0.281 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.708 -0.586 -9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.750 -2.085 -8.399 1.00 0.00 H new ATOM 971 N CYS A 67 2.172 -2.537 -5.416 1.00 0.00 N ATOM 972 CA CYS A 67 2.273 -3.752 -4.615 1.00 0.00 C ATOM 973 C CYS A 67 0.918 -4.443 -4.502 1.00 0.00 C ATOM 974 O CYS A 67 -0.082 -3.964 -5.036 1.00 0.00 O ATOM 975 CB CYS A 67 2.811 -3.426 -3.221 1.00 0.00 C ATOM 976 SG CYS A 67 1.562 -2.788 -2.080 1.00 0.00 S ATOM 0 H CYS A 67 1.275 -2.057 -5.343 1.00 0.00 H new ATOM 0 HA CYS A 67 2.966 -4.430 -5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.252 -4.326 -2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.611 -2.692 -3.314 1.00 0.00 H new ATOM 0 HG CYS A 67 2.124 -1.984 -1.227 1.00 0.00 H new ATOM 982 N THR A 68 0.893 -5.575 -3.805 1.00 0.00 N ATOM 983 CA THR A 68 -0.338 -6.334 -3.624 1.00 0.00 C ATOM 984 C THR A 68 -0.557 -6.685 -2.156 1.00 0.00 C ATOM 985 O THR A 68 0.292 -7.315 -1.525 1.00 0.00 O ATOM 986 CB THR A 68 -0.325 -7.631 -4.454 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.213 -7.321 -5.847 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.588 -8.443 -4.210 1.00 0.00 C ATOM 0 H THR A 68 1.712 -5.986 -3.357 1.00 0.00 H new ATOM 0 HA THR A 68 -1.154 -5.699 -3.968 1.00 0.00 H new ATOM 0 HB THR A 68 0.535 -8.225 -4.144 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.472 -6.388 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.556 -9.354 -4.807 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.655 -8.703 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.460 -7.854 -4.494 1.00 0.00 H new ATOM 996 N VAL A 69 -1.700 -6.273 -1.619 1.00 0.00 N ATOM 997 CA VAL A 69 -2.032 -6.546 -0.225 1.00 0.00 C ATOM 998 C VAL A 69 -2.767 -7.874 -0.085 1.00 0.00 C ATOM 999 O VAL A 69 -3.400 -8.347 -1.029 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.900 -5.424 0.375 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -2.973 -5.557 1.889 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.359 -4.060 -0.024 1.00 0.00 C ATOM 0 H VAL A 69 -2.412 -5.749 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.090 -6.597 0.321 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.910 -5.518 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.590 -4.756 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.412 -6.520 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.969 -5.490 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.985 -3.280 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.338 -3.952 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.366 -3.969 -1.110 1.00 0.00 H new ATOM 1012 N SER A 70 -2.680 -8.470 1.100 1.00 0.00 N ATOM 1013 CA SER A 70 -3.335 -9.746 1.363 1.00 0.00 C ATOM 1014 C SER A 70 -3.713 -9.869 2.836 1.00 0.00 C ATOM 1015 O SER A 70 -3.443 -8.972 3.635 1.00 0.00 O ATOM 1016 CB SER A 70 -2.421 -10.905 0.961 1.00 0.00 C ATOM 1017 OG SER A 70 -1.443 -11.152 1.956 1.00 0.00 O ATOM 0 H SER A 70 -2.163 -8.090 1.893 1.00 0.00 H new ATOM 0 HA SER A 70 -4.247 -9.788 0.767 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.017 -11.804 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.931 -10.675 0.015 1.00 0.00 H new ATOM 0 HG SER A 70 -0.873 -11.898 1.676 1.00 0.00 H new ATOM 1023 N SER A 71 -4.340 -10.987 3.189 1.00 0.00 N ATOM 1024 CA SER A 71 -4.759 -11.227 4.565 1.00 0.00 C ATOM 1025 C SER A 71 -5.938 -10.333 4.937 1.00 0.00 C ATOM 1026 O SER A 71 -6.070 -9.904 6.084 1.00 0.00 O ATOM 1027 CB SER A 71 -3.594 -10.980 5.525 1.00 0.00 C ATOM 1028 OG SER A 71 -3.782 -11.677 6.744 1.00 0.00 O ATOM 0 H SER A 71 -4.569 -11.741 2.541 1.00 0.00 H new ATOM 0 HA SER A 71 -5.074 -12.267 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.661 -11.299 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.502 -9.912 5.723 1.00 0.00 H new ATOM 0 HG SER A 71 -4.660 -11.452 7.117 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.794 -10.057 3.959 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.964 -9.215 4.182 1.00 0.00 C ATOM 1036 C LEU A 72 -9.246 -10.039 4.133 1.00 0.00 C ATOM 1037 O LEU A 72 -9.209 -11.253 3.927 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.021 -8.100 3.136 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.675 -7.612 2.601 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.869 -6.791 1.336 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.942 -6.801 3.659 1.00 0.00 C ATOM 0 H LEU A 72 -6.700 -10.404 3.004 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.877 -8.771 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.619 -8.449 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.547 -7.249 3.569 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.067 -8.482 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.900 -6.452 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.350 -7.404 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.496 -5.927 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.986 -6.462 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.545 -5.937 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.769 -7.422 4.538 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.380 -9.373 4.322 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.675 -10.044 4.297 1.00 0.00 C ATOM 1055 C LEU A 73 -12.487 -9.616 3.078 1.00 0.00 C ATOM 1056 O LEU A 73 -12.546 -8.438 2.723 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.455 -9.737 5.576 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.757 -10.093 6.890 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.466 -9.438 8.065 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.701 -11.602 7.072 1.00 0.00 C ATOM 0 H LEU A 73 -10.429 -8.369 4.494 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.499 -11.118 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.688 -8.672 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.404 -10.271 5.536 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.736 -9.714 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.956 -9.702 8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.453 -8.355 7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.498 -9.786 8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.201 -11.837 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.714 -12.004 7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.148 -12.048 6.246 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.130 -10.593 2.422 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.952 -10.342 1.235 1.00 0.00 C ATOM 1074 C PRO A 74 -15.235 -9.587 1.567 1.00 0.00 C ATOM 1075 O PRO A 74 -15.676 -9.570 2.715 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.276 -11.748 0.724 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.179 -12.620 1.927 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.104 -12.019 2.789 1.00 0.00 C ATOM 0 HA PRO A 74 -13.435 -9.717 0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.273 -11.789 0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.573 -12.060 -0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.130 -12.658 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.929 -13.643 1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.311 -12.165 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.131 -12.468 2.589 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.829 -8.964 0.554 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.056 -8.216 0.760 1.00 0.00 C ATOM 1088 C GLY A 75 -16.920 -7.167 1.846 1.00 0.00 C ATOM 1089 O GLY A 75 -17.895 -6.828 2.517 1.00 0.00 O ATOM 0 H GLY A 75 -15.483 -8.964 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.344 -7.733 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.858 -8.905 1.023 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.708 -6.653 2.021 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.446 -5.636 3.033 1.00 0.00 C ATOM 1095 C LYS A 76 -14.567 -4.523 2.472 1.00 0.00 C ATOM 1096 O LYS A 76 -13.665 -4.774 1.672 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.774 -6.265 4.255 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.659 -7.254 4.995 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.600 -6.548 5.957 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.970 -6.383 7.332 1.00 0.00 C ATOM 1101 NZ LYS A 76 -16.996 -6.180 8.392 1.00 0.00 N ATOM 0 H LYS A 76 -14.890 -6.924 1.475 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.400 -5.204 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.863 -6.773 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.475 -5.474 4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.239 -7.833 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.037 -7.960 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.864 -5.569 5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.526 -7.117 6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.375 -7.265 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.288 -5.533 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.526 -6.072 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.548 -5.324 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.632 -7.003 8.422 1.00 0.00 H new ATOM 1115 N THR A 77 -14.834 -3.293 2.898 1.00 0.00 N ATOM 1116 CA THR A 77 -14.067 -2.142 2.438 1.00 0.00 C ATOM 1117 C THR A 77 -12.846 -1.907 3.321 1.00 0.00 C ATOM 1118 O THR A 77 -12.825 -2.303 4.486 1.00 0.00 O ATOM 1119 CB THR A 77 -14.927 -0.864 2.421 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.002 -1.011 1.487 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.087 0.349 2.048 1.00 0.00 C ATOM 0 H THR A 77 -15.576 -3.068 3.561 1.00 0.00 H new ATOM 0 HA THR A 77 -13.741 -2.365 1.422 1.00 0.00 H new ATOM 0 HB THR A 77 -15.332 -0.711 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.545 -0.195 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.716 1.239 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.286 0.475 2.777 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.657 0.203 1.057 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.831 -1.260 2.759 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.605 -0.974 3.495 1.00 0.00 C ATOM 1131 C TYR A 78 -10.014 0.367 3.069 1.00 0.00 C ATOM 1132 O TYR A 78 -9.861 0.640 1.878 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.581 -2.088 3.275 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.869 -3.341 4.071 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.945 -4.160 3.752 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.064 -3.706 5.143 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.212 -5.304 4.477 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.322 -4.850 5.874 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.398 -5.645 5.537 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.659 -6.786 6.261 1.00 0.00 O ATOM 0 H TYR A 78 -11.833 -0.924 1.796 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.852 -0.921 4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.553 -2.340 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.591 -1.718 3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.584 -3.897 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.222 -3.085 5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.054 -5.928 4.216 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.685 -5.120 6.704 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.992 -6.882 6.972 1.00 0.00 H new ATOM 1150 N SER A 79 -9.683 1.199 4.051 1.00 0.00 N ATOM 1151 CA SER A 79 -9.112 2.513 3.779 1.00 0.00 C ATOM 1152 C SER A 79 -7.594 2.428 3.646 1.00 0.00 C ATOM 1153 O SER A 79 -6.885 2.209 4.628 1.00 0.00 O ATOM 1154 CB SER A 79 -9.484 3.494 4.892 1.00 0.00 C ATOM 1155 OG SER A 79 -8.558 3.425 5.963 1.00 0.00 O ATOM 0 H SER A 79 -9.800 0.987 5.042 1.00 0.00 H new ATOM 0 HA SER A 79 -9.523 2.873 2.836 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.509 4.508 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.486 3.270 5.258 1.00 0.00 H new ATOM 0 HG SER A 79 -8.016 2.613 5.875 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.103 2.603 2.424 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.670 2.546 2.161 1.00 0.00 C ATOM 1163 C PHE A 80 -5.059 3.944 2.169 1.00 0.00 C ATOM 1164 O PHE A 80 -5.757 4.940 1.976 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.404 1.869 0.814 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.727 0.403 0.806 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.009 -0.036 0.515 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.749 -0.537 1.090 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.308 -1.385 0.507 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.043 -1.888 1.084 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.324 -2.312 0.791 1.00 0.00 C ATOM 0 H PHE A 80 -7.676 2.785 1.600 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.204 1.960 2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.993 2.367 0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.355 2.003 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.783 0.684 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.745 -0.210 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.311 -1.715 0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.272 -2.610 1.308 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.556 -3.367 0.784 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.751 4.010 2.396 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.046 5.286 2.432 1.00 0.00 C ATOM 1183 C ARG A 81 -1.693 5.179 1.735 1.00 0.00 C ATOM 1184 O ARG A 81 -1.294 4.101 1.291 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.851 5.744 3.879 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.140 5.788 4.683 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.847 7.126 4.530 1.00 0.00 C ATOM 1188 NE ARG A 81 -4.339 8.123 5.469 1.00 0.00 N ATOM 1189 CZ ARG A 81 -4.846 9.345 5.587 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -5.868 9.719 4.831 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -4.329 10.196 6.465 1.00 0.00 N ATOM 0 H ARG A 81 -3.158 3.196 2.558 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.651 6.022 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.148 5.073 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.398 6.736 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.802 4.986 4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.920 5.610 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.719 7.489 3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.917 6.991 4.688 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.553 7.867 6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.268 9.068 4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.255 10.658 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.543 9.911 7.049 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.718 11.134 6.556 1.00 0.00 H new ATOM 1205 N LEU A 82 -0.990 6.302 1.642 1.00 0.00 N ATOM 1206 CA LEU A 82 0.318 6.336 0.998 1.00 0.00 C ATOM 1207 C LEU A 82 1.160 7.489 1.536 1.00 0.00 C ATOM 1208 O LEU A 82 0.657 8.592 1.747 1.00 0.00 O ATOM 1209 CB LEU A 82 0.160 6.468 -0.517 1.00 0.00 C ATOM 1210 CG LEU A 82 1.455 6.612 -1.318 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.269 5.329 -1.250 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.151 6.977 -2.763 1.00 0.00 C ATOM 0 H LEU A 82 -1.304 7.202 2.005 1.00 0.00 H new ATOM 0 HA LEU A 82 0.830 5.401 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.375 5.592 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.469 7.334 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 82 2.045 7.416 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.187 5.450 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.518 5.111 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.686 4.506 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.084 7.075 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.541 6.195 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.610 7.923 -2.793 1.00 0.00 H new ATOM 1224 N ARG A 83 2.445 7.226 1.752 1.00 0.00 N ATOM 1225 CA ARG A 83 3.357 8.242 2.264 1.00 0.00 C ATOM 1226 C ARG A 83 4.767 8.029 1.720 1.00 0.00 C ATOM 1227 O ARG A 83 5.264 6.904 1.680 1.00 0.00 O ATOM 1228 CB ARG A 83 3.379 8.214 3.793 1.00 0.00 C ATOM 1229 CG ARG A 83 4.203 7.075 4.370 1.00 0.00 C ATOM 1230 CD ARG A 83 4.427 7.251 5.864 1.00 0.00 C ATOM 1231 NE ARG A 83 5.099 6.098 6.456 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.665 6.114 7.658 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.638 7.218 8.392 1.00 0.00 N ATOM 1234 NH2 ARG A 83 6.258 5.025 8.129 1.00 0.00 N ATOM 0 H ARG A 83 2.878 6.318 1.580 1.00 0.00 H new ATOM 0 HA ARG A 83 3.000 9.217 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.776 9.160 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.356 8.134 4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.696 6.128 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.165 7.026 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.023 8.147 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.468 7.405 6.359 1.00 0.00 H new ATOM 0 HE ARG A 83 5.136 5.233 5.917 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.182 8.057 8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.073 7.228 9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.280 4.173 7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.692 5.039 9.052 1.00 0.00 H new ATOM 1248 N ALA A 84 5.405 9.118 1.303 1.00 0.00 N ATOM 1249 CA ALA A 84 6.758 9.051 0.764 1.00 0.00 C ATOM 1250 C ALA A 84 7.787 9.457 1.813 1.00 0.00 C ATOM 1251 O ALA A 84 7.479 10.202 2.743 1.00 0.00 O ATOM 1252 CB ALA A 84 6.879 9.935 -0.468 1.00 0.00 C ATOM 0 H ALA A 84 5.007 10.057 1.328 1.00 0.00 H new ATOM 0 HA ALA A 84 6.958 8.019 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.894 9.876 -0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.176 9.597 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.654 10.967 -0.199 1.00 0.00 H new ATOM 1258 N ALA A 85 9.011 8.962 1.657 1.00 0.00 N ATOM 1259 CA ALA A 85 10.086 9.275 2.590 1.00 0.00 C ATOM 1260 C ALA A 85 11.377 9.608 1.849 1.00 0.00 C ATOM 1261 O ALA A 85 11.680 9.016 0.815 1.00 0.00 O ATOM 1262 CB ALA A 85 10.310 8.114 3.547 1.00 0.00 C ATOM 0 H ALA A 85 9.282 8.343 0.893 1.00 0.00 H new ATOM 0 HA ALA A 85 9.790 10.153 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.116 8.362 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.396 7.924 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.579 7.222 2.981 1.00 0.00 H new ATOM 1268 N ASN A 86 12.132 10.561 2.385 1.00 0.00 N ATOM 1269 CA ASN A 86 13.390 10.974 1.773 1.00 0.00 C ATOM 1270 C ASN A 86 14.479 11.144 2.828 1.00 0.00 C ATOM 1271 O ASN A 86 14.232 10.981 4.023 1.00 0.00 O ATOM 1272 CB ASN A 86 13.202 12.283 1.003 1.00 0.00 C ATOM 1273 CG ASN A 86 12.533 13.356 1.842 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.450 13.241 3.065 1.00 0.00 O ATOM 1275 ND2 ASN A 86 12.053 14.406 1.186 1.00 0.00 N ATOM 0 H ASN A 86 11.895 11.062 3.241 1.00 0.00 H new ATOM 0 HA ASN A 86 13.700 10.193 1.079 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.173 12.644 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.602 12.095 0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.593 15.160 1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.144 14.459 0.171 1.00 0.00 H new ATOM 1282 N LYS A 87 15.685 11.473 2.378 1.00 0.00 N ATOM 1283 CA LYS A 87 16.812 11.667 3.282 1.00 0.00 C ATOM 1284 C LYS A 87 16.371 12.378 4.557 1.00 0.00 C ATOM 1285 O LYS A 87 16.966 12.195 5.619 1.00 0.00 O ATOM 1286 CB LYS A 87 17.914 12.474 2.591 1.00 0.00 C ATOM 1287 CG LYS A 87 17.391 13.653 1.789 1.00 0.00 C ATOM 1288 CD LYS A 87 18.458 14.215 0.864 1.00 0.00 C ATOM 1289 CE LYS A 87 19.275 15.300 1.550 1.00 0.00 C ATOM 1290 NZ LYS A 87 20.598 15.495 0.895 1.00 0.00 N ATOM 0 H LYS A 87 15.907 11.611 1.392 1.00 0.00 H new ATOM 0 HA LYS A 87 17.203 10.685 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.613 12.839 3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.475 11.815 1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.527 13.341 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.049 14.434 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.119 13.412 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.987 14.623 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.720 16.238 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.423 15.036 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.124 16.242 1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 21.138 14.607 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.457 15.772 -0.097 1.00 0.00 H new ATOM 1304 N MET A 88 15.324 13.189 4.445 1.00 0.00 N ATOM 1305 CA MET A 88 14.802 13.925 5.591 1.00 0.00 C ATOM 1306 C MET A 88 13.989 13.009 6.501 1.00 0.00 C ATOM 1307 O MET A 88 14.331 12.814 7.667 1.00 0.00 O ATOM 1308 CB MET A 88 13.936 15.095 5.121 1.00 0.00 C ATOM 1309 CG MET A 88 14.645 16.024 4.149 1.00 0.00 C ATOM 1310 SD MET A 88 15.978 16.956 4.926 1.00 0.00 S ATOM 1311 CE MET A 88 17.386 15.919 4.542 1.00 0.00 C ATOM 0 H MET A 88 14.821 13.353 3.573 1.00 0.00 H new ATOM 0 HA MET A 88 15.648 14.313 6.158 1.00 0.00 H new ATOM 0 HB2 MET A 88 13.037 14.703 4.646 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.613 15.669 5.989 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.049 15.439 3.323 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.921 16.719 3.723 1.00 0.00 H new ATOM 0 HE1 MET A 88 18.157 16.056 5.301 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.075 14.874 4.526 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.785 16.194 3.566 1.00 0.00 H new ATOM 1321 N GLY A 89 12.911 12.450 5.961 1.00 0.00 N ATOM 1322 CA GLY A 89 12.067 11.562 6.738 1.00 0.00 C ATOM 1323 C GLY A 89 10.773 11.221 6.027 1.00 0.00 C ATOM 1324 O GLY A 89 10.648 11.424 4.819 1.00 0.00 O ATOM 0 H GLY A 89 12.607 12.596 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.613 10.643 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.839 12.029 7.696 1.00 0.00 H new ATOM 1328 N PHE A 90 9.807 10.700 6.776 1.00 0.00 N ATOM 1329 CA PHE A 90 8.516 10.327 6.208 1.00 0.00 C ATOM 1330 C PHE A 90 7.532 11.491 6.285 1.00 0.00 C ATOM 1331 O PHE A 90 7.446 12.180 7.300 1.00 0.00 O ATOM 1332 CB PHE A 90 7.944 9.112 6.942 1.00 0.00 C ATOM 1333 CG PHE A 90 8.359 7.800 6.342 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.616 7.222 5.325 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.493 7.143 6.794 1.00 0.00 C ATOM 1336 CE1 PHE A 90 7.995 6.014 4.770 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.877 5.936 6.243 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.127 5.370 5.230 1.00 0.00 C ATOM 0 H PHE A 90 9.893 10.526 7.777 1.00 0.00 H new ATOM 0 HA PHE A 90 8.668 10.071 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.263 9.143 7.984 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.856 9.175 6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.730 7.721 4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.083 7.580 7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.407 5.574 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.763 5.435 6.604 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.425 4.426 4.799 1.00 0.00 H new ATOM 1348 N GLY A 91 6.792 11.704 5.201 1.00 0.00 N ATOM 1349 CA GLY A 91 5.824 12.785 5.164 1.00 0.00 C ATOM 1350 C GLY A 91 4.424 12.322 5.513 1.00 0.00 C ATOM 1351 O GLY A 91 4.213 11.194 5.962 1.00 0.00 O ATOM 0 H GLY A 91 6.846 11.147 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.129 13.566 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.819 13.230 4.169 1.00 0.00 H new ATOM 1355 N PRO A 92 3.435 13.205 5.308 1.00 0.00 N ATOM 1356 CA PRO A 92 2.031 12.903 5.598 1.00 0.00 C ATOM 1357 C PRO A 92 1.447 11.877 4.633 1.00 0.00 C ATOM 1358 O PRO A 92 1.829 11.821 3.464 1.00 0.00 O ATOM 1359 CB PRO A 92 1.334 14.255 5.426 1.00 0.00 C ATOM 1360 CG PRO A 92 2.207 15.014 4.487 1.00 0.00 C ATOM 1361 CD PRO A 92 3.613 14.566 4.775 1.00 0.00 C ATOM 0 HA PRO A 92 1.905 12.466 6.588 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.329 14.134 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.234 14.773 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.937 14.809 3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.101 16.088 4.638 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.228 14.568 3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.103 15.219 5.497 1.00 0.00 H new ATOM 1369 N PHE A 93 0.518 11.066 5.129 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.118 10.041 4.310 1.00 0.00 C ATOM 1371 C PHE A 93 -1.121 10.663 3.342 1.00 0.00 C ATOM 1372 O PHE A 93 -1.559 11.797 3.530 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.820 9.011 5.198 1.00 0.00 C ATOM 1374 CG PHE A 93 0.057 7.854 5.582 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.380 6.875 4.656 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.557 7.745 6.870 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.187 5.809 5.007 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.365 6.681 7.226 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.679 5.712 6.293 1.00 0.00 C ATOM 0 H PHE A 93 0.189 11.099 6.094 1.00 0.00 H new ATOM 0 HA PHE A 93 0.658 9.541 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.174 9.504 6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.699 8.633 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.003 6.946 3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.313 8.499 7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.432 5.053 4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.750 6.608 8.232 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.309 4.879 6.569 1.00 0.00 H new ATOM 1389 N SER A 94 -1.480 9.911 2.306 1.00 0.00 N ATOM 1390 CA SER A 94 -2.427 10.389 1.306 1.00 0.00 C ATOM 1391 C SER A 94 -3.860 10.270 1.816 1.00 0.00 C ATOM 1392 O SER A 94 -4.092 9.911 2.970 1.00 0.00 O ATOM 1393 CB SER A 94 -2.269 9.600 0.005 1.00 0.00 C ATOM 1394 OG SER A 94 -2.921 8.344 0.088 1.00 0.00 O ATOM 0 H SER A 94 -1.129 8.968 2.138 1.00 0.00 H new ATOM 0 HA SER A 94 -2.214 11.440 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.682 10.174 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.210 9.450 -0.207 1.00 0.00 H new ATOM 0 HG SER A 94 -3.868 8.451 -0.140 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.818 10.575 0.946 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.229 10.503 1.307 1.00 0.00 C ATOM 1402 C GLU A 95 -6.693 9.052 1.401 1.00 0.00 C ATOM 1403 O GLU A 95 -6.378 8.230 0.541 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.080 11.257 0.283 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.796 12.749 0.237 1.00 0.00 C ATOM 1406 CD GLU A 95 -8.005 13.559 -0.189 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.558 13.274 -1.272 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -8.398 14.479 0.559 1.00 0.00 O ATOM 0 H GLU A 95 -4.643 10.874 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.352 10.970 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.906 10.832 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.134 11.103 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.468 13.083 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.975 12.938 -0.454 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.445 8.745 2.453 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.955 7.395 2.661 1.00 0.00 C ATOM 1417 C LYS A 96 -8.850 6.966 1.503 1.00 0.00 C ATOM 1418 O LYS A 96 -9.941 7.506 1.317 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.733 7.319 3.977 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.648 8.509 4.212 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.869 8.121 5.029 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.986 7.590 4.143 1.00 0.00 C ATOM 1423 NZ LYS A 96 -13.312 7.669 4.817 1.00 0.00 N ATOM 0 H LYS A 96 -7.715 9.413 3.175 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.104 6.716 2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.329 6.406 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.026 7.246 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.098 9.295 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.966 8.920 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.592 7.363 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.226 8.987 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.016 8.160 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.776 6.555 3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.047 7.298 4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.292 7.104 5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.524 8.660 5.051 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.382 5.993 0.729 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.142 5.492 -0.411 1.00 0.00 C ATOM 1439 C CYS A 97 -9.897 4.219 -0.044 1.00 0.00 C ATOM 1440 O CYS A 97 -9.294 3.171 0.184 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.209 5.223 -1.593 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.044 4.575 -3.060 1.00 0.00 S ATOM 0 H CYS A 97 -7.481 5.536 0.870 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.868 6.254 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.699 6.149 -1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.441 4.514 -1.282 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.173 4.382 -4.005 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.221 4.319 0.013 1.00 0.00 N ATOM 1449 CA ASP A 98 -12.060 3.176 0.353 1.00 0.00 C ATOM 1450 C ASP A 98 -12.139 2.194 -0.811 1.00 0.00 C ATOM 1451 O ASP A 98 -12.578 2.548 -1.906 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.464 3.644 0.738 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.402 3.701 -0.451 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.428 4.744 -1.137 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -15.110 2.702 -0.697 1.00 0.00 O ATOM 0 H ASP A 98 -11.736 5.180 -0.172 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.609 2.666 1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.875 2.970 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.402 4.631 1.196 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.711 0.960 -0.568 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.733 -0.073 -1.596 1.00 0.00 C ATOM 1462 C ILE A 99 -12.459 -1.321 -1.106 1.00 0.00 C ATOM 1463 O ILE A 99 -12.089 -1.910 -0.089 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.309 -0.460 -2.036 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.610 0.735 -2.687 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.353 -1.641 -2.995 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.186 0.447 -3.108 1.00 0.00 C ATOM 0 H ILE A 99 -11.345 0.651 0.332 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.267 0.343 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.740 -0.754 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.182 1.048 -3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.611 1.571 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.339 -1.903 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.816 -2.495 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.936 -1.373 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.753 1.339 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.599 0.163 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.178 -0.368 -3.832 1.00 0.00 H new ATOM 1479 N THR A 100 -13.494 -1.723 -1.837 1.00 0.00 N ATOM 1480 CA THR A 100 -14.272 -2.902 -1.478 1.00 0.00 C ATOM 1481 C THR A 100 -13.726 -4.150 -2.161 1.00 0.00 C ATOM 1482 O THR A 100 -13.638 -4.212 -3.388 1.00 0.00 O ATOM 1483 CB THR A 100 -15.756 -2.732 -1.855 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.192 -1.404 -1.543 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.621 -3.742 -1.116 1.00 0.00 C ATOM 0 H THR A 100 -13.813 -1.249 -2.682 1.00 0.00 H new ATOM 0 HA THR A 100 -14.190 -3.017 -0.397 1.00 0.00 H new ATOM 0 HB THR A 100 -15.858 -2.905 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.139 -1.261 -0.575 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.665 -3.603 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.306 -4.752 -1.378 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.513 -3.596 -0.041 1.00 0.00 H new ATOM 1493 N THR A 101 -13.359 -5.145 -1.360 1.00 0.00 N ATOM 1494 CA THR A 101 -12.821 -6.393 -1.888 1.00 0.00 C ATOM 1495 C THR A 101 -13.887 -7.175 -2.645 1.00 0.00 C ATOM 1496 O THR A 101 -15.028 -6.729 -2.768 1.00 0.00 O ATOM 1497 CB THR A 101 -12.252 -7.279 -0.764 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.217 -7.422 0.284 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.970 -6.683 -0.201 1.00 0.00 C ATOM 0 H THR A 101 -13.424 -5.111 -0.343 1.00 0.00 H new ATOM 0 HA THR A 101 -12.016 -6.125 -2.573 1.00 0.00 H new ATOM 0 HB THR A 101 -12.025 -8.259 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.773 -7.744 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.587 -7.326 0.591 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.227 -6.603 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.177 -5.692 0.204 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.509 -8.344 -3.151 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.435 -9.190 -3.895 1.00 0.00 C ATOM 1509 C ALA A 102 -15.370 -9.941 -2.953 1.00 0.00 C ATOM 1510 O ALA A 102 -15.017 -10.269 -1.820 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.668 -10.169 -4.771 1.00 0.00 C ATOM 0 H ALA A 102 -12.568 -8.727 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.043 -8.548 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.372 -10.794 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.046 -9.617 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.035 -10.799 -4.145 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.593 -10.220 -3.429 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.604 -10.935 -2.645 1.00 0.00 C ATOM 1519 C PRO A 103 -17.244 -12.402 -2.435 1.00 0.00 C ATOM 1520 O PRO A 103 -18.011 -13.161 -1.845 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.868 -10.812 -3.499 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.368 -10.628 -4.891 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.081 -9.859 -4.771 1.00 0.00 C ATOM 0 HA PRO A 103 -17.709 -10.522 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.490 -11.703 -3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.479 -9.966 -3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.204 -11.590 -5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.092 -10.084 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.370 -10.142 -5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.244 -8.785 -4.864 1.00 0.00 H new ATOM 1531 N GLY A 104 -16.070 -12.794 -2.922 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.629 -14.169 -2.777 1.00 0.00 C ATOM 1533 C GLY A 104 -16.033 -15.035 -3.954 1.00 0.00 C ATOM 1534 O GLY A 104 -17.200 -15.405 -4.090 1.00 0.00 O ATOM 0 H GLY A 104 -15.417 -12.184 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.544 -14.190 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -16.048 -14.587 -1.862 1.00 0.00 H new