USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 761 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 64 ASN : amide:sc= -2.6! K(o=-2.6!,f=-1.8) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 165:sc=-0.00411 (180deg=-0.235) USER MOD Single : A 9 TYR OH : rot 150:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.07! K(o=-3.1!,f=-0.69) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.45) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 71:sc= 1.17 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0165 K(o=-0.016,f=-1.9!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.361 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -140:sc= 0.317 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -0.471 (180deg=-1.03) USER MOD Single : A 48 LYS NZ :NH3+ 138:sc= -0.386 (180deg=-1.43!) USER MOD Single : A 51 TYR OH : rot 35:sc= 0.886 USER MOD Single : A 52 ASN : amide:sc= -0.997 X(o=-1,f=-1) USER MOD Single : A 56 TYR OH : rot 142:sc= 1.28 USER MOD Single : A 62 CYS SG : rot -70:sc= -1.02 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.769 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3!) USER MOD Single : A 75 ASN : amide:sc= -4.21 K(o=-4.2,f=-5!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 16.514 -9.043 3.767 1.00 1.00 N ATOM 80 CA PRO A 6 15.126 -9.177 3.224 1.00 1.00 C ATOM 81 C PRO A 6 15.109 -9.869 1.873 1.00 1.00 C ATOM 82 O PRO A 6 16.033 -10.595 1.504 1.00 1.00 O ATOM 83 CB PRO A 6 14.626 -7.719 3.108 1.00 1.00 C ATOM 84 CG PRO A 6 15.426 -6.973 4.120 1.00 1.00 C ATOM 85 CD PRO A 6 16.798 -7.652 4.157 1.00 1.00 C ATOM 0 HA PRO A 6 14.494 -9.792 3.865 1.00 1.00 H new ATOM 0 HB2 PRO A 6 14.785 -7.323 2.105 1.00 1.00 H new ATOM 0 HB3 PRO A 6 13.558 -7.647 3.314 1.00 1.00 H new ATOM 0 HG2 PRO A 6 15.518 -5.922 3.847 1.00 1.00 H new ATOM 0 HG3 PRO A 6 14.947 -7.007 5.099 1.00 1.00 H new ATOM 0 HD2 PRO A 6 17.497 -7.178 3.468 1.00 1.00 H new ATOM 0 HD3 PRO A 6 17.244 -7.598 5.150 1.00 1.00 H new ATOM 93 N GLU A 7 14.045 -9.663 1.103 1.00 1.00 N ATOM 94 CA GLU A 7 13.902 -10.273 -0.233 1.00 1.00 C ATOM 95 C GLU A 7 13.149 -11.597 -0.135 1.00 1.00 C ATOM 96 O GLU A 7 12.216 -11.839 -0.901 1.00 1.00 O ATOM 97 CB GLU A 7 15.279 -10.503 -0.903 1.00 1.00 C ATOM 98 CG GLU A 7 15.125 -10.678 -2.405 1.00 1.00 C ATOM 99 CD GLU A 7 16.493 -10.892 -3.043 1.00 1.00 C ATOM 100 OE1 GLU A 7 17.487 -10.610 -2.389 1.00 1.00 O ATOM 101 OE2 GLU A 7 16.528 -11.334 -4.178 1.00 1.00 O ATOM 0 H GLU A 7 13.258 -9.075 1.376 1.00 1.00 H new ATOM 0 HA GLU A 7 13.334 -9.578 -0.852 1.00 1.00 H new ATOM 0 HB2 GLU A 7 15.935 -9.658 -0.696 1.00 1.00 H new ATOM 0 HB3 GLU A 7 15.753 -11.387 -0.476 1.00 1.00 H new ATOM 0 HG2 GLU A 7 14.478 -11.529 -2.617 1.00 1.00 H new ATOM 0 HG3 GLU A 7 14.646 -9.799 -2.836 1.00 1.00 H new ATOM 108 N GLU A 8 13.555 -12.439 0.811 1.00 1.00 N ATOM 109 CA GLU A 8 12.911 -13.733 1.009 1.00 1.00 C ATOM 110 C GLU A 8 11.544 -13.559 1.656 1.00 1.00 C ATOM 111 O GLU A 8 10.635 -14.364 1.457 1.00 1.00 O ATOM 112 CB GLU A 8 13.788 -14.630 1.889 1.00 1.00 C ATOM 113 CG GLU A 8 15.075 -14.987 1.133 1.00 1.00 C ATOM 114 CD GLU A 8 15.977 -13.762 1.030 1.00 1.00 C ATOM 115 OE1 GLU A 8 15.930 -12.939 1.930 1.00 1.00 O ATOM 116 OE2 GLU A 8 16.693 -13.656 0.047 1.00 1.00 O ATOM 0 H GLU A 8 14.326 -12.249 1.451 1.00 1.00 H new ATOM 0 HA GLU A 8 12.780 -14.203 0.034 1.00 1.00 H new ATOM 0 HB2 GLU A 8 14.031 -14.118 2.820 1.00 1.00 H new ATOM 0 HB3 GLU A 8 13.246 -15.538 2.156 1.00 1.00 H new ATOM 0 HG2 GLU A 8 15.598 -15.792 1.649 1.00 1.00 H new ATOM 0 HG3 GLU A 8 14.831 -15.354 0.136 1.00 1.00 H new ATOM 123 N TYR A 9 11.396 -12.502 2.449 1.00 1.00 N ATOM 124 CA TYR A 9 10.148 -12.214 3.142 1.00 1.00 C ATOM 125 C TYR A 9 9.008 -12.080 2.142 1.00 1.00 C ATOM 126 O TYR A 9 7.834 -12.165 2.505 1.00 1.00 O ATOM 127 CB TYR A 9 10.286 -10.918 3.963 1.00 1.00 C ATOM 128 CG TYR A 9 11.158 -11.164 5.191 1.00 1.00 C ATOM 129 CD1 TYR A 9 12.513 -11.514 5.041 1.00 1.00 C ATOM 130 CD2 TYR A 9 10.617 -11.042 6.481 1.00 1.00 C ATOM 131 CE1 TYR A 9 13.306 -11.740 6.167 1.00 1.00 C ATOM 132 CE2 TYR A 9 11.417 -11.268 7.600 1.00 1.00 C ATOM 133 CZ TYR A 9 12.759 -11.618 7.446 1.00 1.00 C ATOM 134 OH TYR A 9 13.546 -11.839 8.556 1.00 1.00 O ATOM 0 H TYR A 9 12.136 -11.824 2.628 1.00 1.00 H new ATOM 0 HA TYR A 9 9.925 -13.039 3.818 1.00 1.00 H new ATOM 0 HB2 TYR A 9 10.725 -10.133 3.347 1.00 1.00 H new ATOM 0 HB3 TYR A 9 9.301 -10.567 4.271 1.00 1.00 H new ATOM 0 HD1 TYR A 9 12.940 -11.608 4.053 1.00 1.00 H new ATOM 0 HD2 TYR A 9 9.579 -10.772 6.607 1.00 1.00 H new ATOM 0 HE1 TYR A 9 14.345 -12.010 6.049 1.00 1.00 H new ATOM 0 HE2 TYR A 9 10.996 -11.172 8.590 1.00 1.00 H new ATOM 0 HH TYR A 9 13.224 -11.289 9.300 1.00 1.00 H new ATOM 144 N TYR A 10 9.332 -11.872 0.871 1.00 1.00 N ATOM 145 CA TYR A 10 8.331 -11.727 -0.175 1.00 1.00 C ATOM 146 C TYR A 10 7.323 -12.876 -0.109 1.00 1.00 C ATOM 147 O TYR A 10 6.241 -12.814 -0.690 1.00 1.00 O ATOM 148 CB TYR A 10 9.026 -11.702 -1.559 1.00 1.00 C ATOM 149 CG TYR A 10 9.109 -13.109 -2.136 1.00 1.00 C ATOM 150 CD1 TYR A 10 10.048 -14.015 -1.637 1.00 1.00 C ATOM 151 CD2 TYR A 10 8.224 -13.502 -3.146 1.00 1.00 C ATOM 152 CE1 TYR A 10 10.108 -15.315 -2.151 1.00 1.00 C ATOM 153 CE2 TYR A 10 8.283 -14.799 -3.658 1.00 1.00 C ATOM 154 CZ TYR A 10 9.227 -15.707 -3.165 1.00 1.00 C ATOM 155 OH TYR A 10 9.283 -16.986 -3.673 1.00 1.00 O ATOM 0 H TYR A 10 10.294 -11.800 0.539 1.00 1.00 H new ATOM 0 HA TYR A 10 7.794 -10.790 -0.027 1.00 1.00 H new ATOM 0 HB2 TYR A 10 8.473 -11.055 -2.239 1.00 1.00 H new ATOM 0 HB3 TYR A 10 10.027 -11.282 -1.463 1.00 1.00 H new ATOM 0 HD1 TYR A 10 10.728 -13.712 -0.854 1.00 1.00 H new ATOM 0 HD2 TYR A 10 7.496 -12.802 -3.529 1.00 1.00 H new ATOM 0 HE1 TYR A 10 10.834 -16.016 -1.765 1.00 1.00 H new ATOM 0 HE2 TYR A 10 7.599 -15.103 -4.436 1.00 1.00 H new ATOM 0 HH TYR A 10 8.601 -17.092 -4.369 1.00 1.00 H new ATOM 165 N LEU A 11 7.667 -13.942 0.605 1.00 1.00 N ATOM 166 CA LEU A 11 6.792 -15.101 0.726 1.00 1.00 C ATOM 167 C LEU A 11 5.384 -14.669 1.093 1.00 1.00 C ATOM 168 O LEU A 11 4.428 -15.416 0.885 1.00 1.00 O ATOM 169 CB LEU A 11 7.351 -16.059 1.789 1.00 1.00 C ATOM 170 CG LEU A 11 7.260 -15.430 3.215 1.00 1.00 C ATOM 171 CD1 LEU A 11 6.034 -15.971 3.969 1.00 1.00 C ATOM 172 CD2 LEU A 11 8.522 -15.782 4.018 1.00 1.00 C ATOM 0 H LEU A 11 8.549 -14.027 1.110 1.00 1.00 H new ATOM 0 HA LEU A 11 6.751 -15.616 -0.234 1.00 1.00 H new ATOM 0 HB2 LEU A 11 6.796 -16.997 1.766 1.00 1.00 H new ATOM 0 HB3 LEU A 11 8.389 -16.297 1.559 1.00 1.00 H new ATOM 0 HG LEU A 11 7.170 -14.349 3.106 1.00 1.00 H new ATOM 0 HD11 LEU A 11 5.989 -15.520 4.960 1.00 1.00 H new ATOM 0 HD12 LEU A 11 5.128 -15.723 3.416 1.00 1.00 H new ATOM 0 HD13 LEU A 11 6.115 -17.054 4.066 1.00 1.00 H new ATOM 0 HD21 LEU A 11 8.455 -15.341 5.013 1.00 1.00 H new ATOM 0 HD22 LEU A 11 8.607 -16.865 4.106 1.00 1.00 H new ATOM 0 HD23 LEU A 11 9.400 -15.390 3.506 1.00 1.00 H new ATOM 184 N GLU A 12 5.297 -13.459 1.635 1.00 1.00 N ATOM 185 CA GLU A 12 3.998 -12.951 2.038 1.00 1.00 C ATOM 186 C GLU A 12 3.055 -12.852 0.848 1.00 1.00 C ATOM 187 O GLU A 12 1.955 -13.402 0.889 1.00 1.00 O ATOM 188 CB GLU A 12 4.195 -11.569 2.672 1.00 1.00 C ATOM 189 CG GLU A 12 2.964 -11.149 3.485 1.00 1.00 C ATOM 190 CD GLU A 12 1.811 -10.758 2.567 1.00 1.00 C ATOM 191 OE1 GLU A 12 2.075 -10.361 1.446 1.00 1.00 O ATOM 192 OE2 GLU A 12 0.671 -10.858 3.007 1.00 1.00 O ATOM 0 H GLU A 12 6.084 -12.832 1.800 1.00 1.00 H new ATOM 0 HA GLU A 12 3.549 -13.637 2.757 1.00 1.00 H new ATOM 0 HB2 GLU A 12 5.072 -11.585 3.318 1.00 1.00 H new ATOM 0 HB3 GLU A 12 4.387 -10.832 1.892 1.00 1.00 H new ATOM 0 HG2 GLU A 12 2.655 -11.969 4.134 1.00 1.00 H new ATOM 0 HG3 GLU A 12 3.220 -10.310 4.132 1.00 1.00 H new ATOM 199 N GLY A 13 3.515 -12.156 -0.186 1.00 1.00 N ATOM 200 CA GLY A 13 2.722 -11.987 -1.412 1.00 1.00 C ATOM 201 C GLY A 13 1.910 -13.247 -1.712 1.00 1.00 C ATOM 202 O GLY A 13 0.812 -13.182 -2.266 1.00 1.00 O ATOM 0 H GLY A 13 4.427 -11.700 -0.206 1.00 1.00 H new ATOM 0 HA2 GLY A 13 2.052 -11.135 -1.302 1.00 1.00 H new ATOM 0 HA3 GLY A 13 3.383 -11.767 -2.250 1.00 1.00 H new ATOM 206 N VAL A 14 2.452 -14.400 -1.335 1.00 1.00 N ATOM 207 CA VAL A 14 1.760 -15.665 -1.554 1.00 1.00 C ATOM 208 C VAL A 14 0.612 -15.831 -0.565 1.00 1.00 C ATOM 209 O VAL A 14 -0.529 -16.058 -0.966 1.00 1.00 O ATOM 210 CB VAL A 14 2.739 -16.832 -1.376 1.00 1.00 C ATOM 211 CG1 VAL A 14 2.059 -18.153 -1.757 1.00 1.00 C ATOM 212 CG2 VAL A 14 3.960 -16.608 -2.266 1.00 1.00 C ATOM 0 H VAL A 14 3.361 -14.485 -0.880 1.00 1.00 H new ATOM 0 HA VAL A 14 1.361 -15.662 -2.568 1.00 1.00 H new ATOM 0 HB VAL A 14 3.050 -16.883 -0.333 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.763 -18.975 -1.627 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.191 -18.313 -1.117 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.739 -18.110 -2.798 1.00 1.00 H new ATOM 0 HG21 VAL A 14 4.658 -17.436 -2.142 1.00 1.00 H new ATOM 0 HG22 VAL A 14 3.645 -16.552 -3.308 1.00 1.00 H new ATOM 0 HG23 VAL A 14 4.449 -15.676 -1.984 1.00 1.00 H new ATOM 222 N LEU A 15 0.904 -15.720 0.727 1.00 1.00 N ATOM 223 CA LEU A 15 -0.116 -15.878 1.769 1.00 1.00 C ATOM 224 C LEU A 15 -1.406 -15.167 1.367 1.00 1.00 C ATOM 225 O LEU A 15 -2.418 -15.815 1.104 1.00 1.00 O ATOM 226 CB LEU A 15 0.384 -15.289 3.097 1.00 1.00 C ATOM 227 CG LEU A 15 1.727 -15.914 3.500 1.00 1.00 C ATOM 228 CD1 LEU A 15 2.180 -15.304 4.829 1.00 1.00 C ATOM 229 CD2 LEU A 15 1.585 -17.444 3.646 1.00 1.00 C ATOM 0 H LEU A 15 1.839 -15.521 1.082 1.00 1.00 H new ATOM 0 HA LEU A 15 -0.312 -16.943 1.891 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.495 -14.209 3.002 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -0.354 -15.466 3.879 1.00 1.00 H new ATOM 0 HG LEU A 15 2.468 -15.709 2.727 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.134 -15.742 5.124 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.296 -14.226 4.714 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.434 -15.509 5.597 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.545 -17.873 3.932 1.00 1.00 H new ATOM 0 HD22 LEU A 15 0.844 -17.669 4.413 1.00 1.00 H new ATOM 0 HD23 LEU A 15 1.265 -17.872 2.696 1.00 1.00 H new ATOM 241 N GLN A 16 -1.367 -13.840 1.305 1.00 1.00 N ATOM 242 CA GLN A 16 -2.537 -13.067 0.909 1.00 1.00 C ATOM 243 C GLN A 16 -3.126 -13.632 -0.387 1.00 1.00 C ATOM 244 O GLN A 16 -4.320 -13.924 -0.461 1.00 1.00 O ATOM 245 CB GLN A 16 -2.141 -11.574 0.703 1.00 1.00 C ATOM 246 CG GLN A 16 -0.709 -11.481 0.158 1.00 1.00 C ATOM 247 CD GLN A 16 -0.397 -10.055 -0.286 1.00 1.00 C ATOM 248 OE1 GLN A 16 -0.598 -9.709 -1.451 1.00 1.00 O ATOM 249 NE2 GLN A 16 0.083 -9.202 0.575 1.00 1.00 N ATOM 0 H GLN A 16 -0.542 -13.281 1.523 1.00 1.00 H new ATOM 0 HA GLN A 16 -3.287 -13.132 1.697 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -2.834 -11.098 0.010 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -2.215 -11.036 1.648 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -0.001 -11.792 0.926 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -0.589 -12.164 -0.683 1.00 1.00 H new ATOM 0 HE21 GLN A 16 0.249 -9.490 1.539 1.00 1.00 H new ATOM 0 HE22 GLN A 16 0.292 -8.247 0.284 1.00 1.00 H new ATOM 258 N TYR A 17 -2.304 -13.792 -1.419 1.00 1.00 N ATOM 259 CA TYR A 17 -2.793 -14.311 -2.688 1.00 1.00 C ATOM 260 C TYR A 17 -3.526 -15.633 -2.488 1.00 1.00 C ATOM 261 O TYR A 17 -4.734 -15.712 -2.715 1.00 1.00 O ATOM 262 CB TYR A 17 -1.594 -14.528 -3.642 1.00 1.00 C ATOM 263 CG TYR A 17 -1.313 -13.269 -4.445 1.00 1.00 C ATOM 264 CD1 TYR A 17 -1.406 -12.004 -3.843 1.00 1.00 C ATOM 265 CD2 TYR A 17 -0.975 -13.374 -5.799 1.00 1.00 C ATOM 266 CE1 TYR A 17 -1.163 -10.854 -4.595 1.00 1.00 C ATOM 267 CE2 TYR A 17 -0.730 -12.224 -6.547 1.00 1.00 C ATOM 268 CZ TYR A 17 -0.825 -10.964 -5.947 1.00 1.00 C ATOM 269 OH TYR A 17 -0.584 -9.828 -6.690 1.00 1.00 O ATOM 0 H TYR A 17 -1.308 -13.572 -1.402 1.00 1.00 H new ATOM 0 HA TYR A 17 -3.490 -13.591 -3.116 1.00 1.00 H new ATOM 0 HB2 TYR A 17 -0.710 -14.803 -3.067 1.00 1.00 H new ATOM 0 HB3 TYR A 17 -1.806 -15.357 -4.318 1.00 1.00 H new ATOM 0 HD1 TYR A 17 -1.666 -11.921 -2.798 1.00 1.00 H new ATOM 0 HD2 TYR A 17 -0.904 -14.346 -6.264 1.00 1.00 H new ATOM 0 HE1 TYR A 17 -1.236 -9.880 -4.133 1.00 1.00 H new ATOM 0 HE2 TYR A 17 -0.466 -12.306 -7.591 1.00 1.00 H new ATOM 0 HH TYR A 17 -0.361 -10.080 -7.610 1.00 1.00 H new ATOM 279 N ASP A 18 -2.796 -16.658 -2.065 1.00 1.00 N ATOM 280 CA ASP A 18 -3.393 -17.961 -1.847 1.00 1.00 C ATOM 281 C ASP A 18 -4.543 -17.848 -0.862 1.00 1.00 C ATOM 282 O ASP A 18 -5.707 -17.981 -1.238 1.00 1.00 O ATOM 283 CB ASP A 18 -2.341 -18.930 -1.301 1.00 1.00 C ATOM 284 CG ASP A 18 -2.971 -20.297 -1.041 1.00 1.00 C ATOM 285 OD1 ASP A 18 -3.442 -20.899 -1.991 1.00 1.00 O ATOM 286 OD2 ASP A 18 -2.973 -20.718 0.104 1.00 1.00 O ATOM 0 H ASP A 18 -1.796 -16.609 -1.868 1.00 1.00 H new ATOM 0 HA ASP A 18 -3.772 -18.339 -2.796 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -1.521 -19.028 -2.013 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -1.916 -18.535 -0.378 1.00 1.00 H new ATOM 291 N ALA A 19 -4.211 -17.600 0.400 1.00 1.00 N ATOM 292 CA ALA A 19 -5.222 -17.461 1.456 1.00 1.00 C ATOM 293 C ALA A 19 -5.422 -15.989 1.813 1.00 1.00 C ATOM 294 O ALA A 19 -5.788 -15.177 0.963 1.00 1.00 O ATOM 295 CB ALA A 19 -4.798 -18.256 2.696 1.00 1.00 C ATOM 0 H ALA A 19 -3.250 -17.490 0.723 1.00 1.00 H new ATOM 0 HA ALA A 19 -6.168 -17.858 1.089 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -5.554 -18.147 3.474 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -4.695 -19.309 2.435 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -3.843 -17.878 3.062 1.00 1.00 H new ATOM 301 N GLY A 20 -5.194 -15.632 3.072 1.00 1.00 N ATOM 302 CA GLY A 20 -5.360 -14.253 3.542 1.00 1.00 C ATOM 303 C GLY A 20 -4.193 -13.833 4.431 1.00 1.00 C ATOM 304 O GLY A 20 -3.166 -13.359 3.946 1.00 1.00 O ATOM 0 H GLY A 20 -4.890 -16.283 3.796 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.431 -13.580 2.687 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.294 -14.164 4.096 1.00 1.00 H new ATOM 308 N ASN A 21 -4.355 -14.004 5.739 1.00 1.00 N ATOM 309 CA ASN A 21 -3.313 -13.637 6.683 1.00 1.00 C ATOM 310 C ASN A 21 -2.907 -12.183 6.480 1.00 1.00 C ATOM 311 O ASN A 21 -1.726 -11.846 6.575 1.00 1.00 O ATOM 312 CB ASN A 21 -2.099 -14.552 6.498 1.00 1.00 C ATOM 313 CG ASN A 21 -2.416 -15.957 7.002 1.00 1.00 C ATOM 314 OD1 ASN A 21 -2.202 -16.935 6.285 1.00 1.00 O ATOM 315 ND2 ASN A 21 -2.917 -16.112 8.194 1.00 1.00 N ATOM 0 H ASN A 21 -5.196 -14.393 6.165 1.00 1.00 H new ATOM 0 HA ASN A 21 -3.697 -13.754 7.696 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -1.820 -14.590 5.445 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -1.244 -14.148 7.040 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -3.134 -17.047 8.538 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -3.092 -15.298 8.783 1.00 1.00 H new ATOM 322 N TYR A 22 -3.894 -11.337 6.198 1.00 1.00 N ATOM 323 CA TYR A 22 -3.614 -9.927 5.982 1.00 1.00 C ATOM 324 C TYR A 22 -3.087 -9.286 7.263 1.00 1.00 C ATOM 325 O TYR A 22 -2.020 -8.673 7.261 1.00 1.00 O ATOM 326 CB TYR A 22 -4.890 -9.208 5.546 1.00 1.00 C ATOM 327 CG TYR A 22 -5.381 -9.787 4.236 1.00 1.00 C ATOM 328 CD1 TYR A 22 -4.879 -9.299 3.023 1.00 1.00 C ATOM 329 CD2 TYR A 22 -6.341 -10.807 4.236 1.00 1.00 C ATOM 330 CE1 TYR A 22 -5.337 -9.832 1.811 1.00 1.00 C ATOM 331 CE2 TYR A 22 -6.798 -11.339 3.025 1.00 1.00 C ATOM 332 CZ TYR A 22 -6.296 -10.852 1.813 1.00 1.00 C ATOM 333 OH TYR A 22 -6.748 -11.377 0.619 1.00 1.00 O ATOM 0 H TYR A 22 -4.876 -11.599 6.115 1.00 1.00 H new ATOM 0 HA TYR A 22 -2.857 -9.839 5.203 1.00 1.00 H new ATOM 0 HB2 TYR A 22 -5.658 -9.314 6.312 1.00 1.00 H new ATOM 0 HB3 TYR A 22 -4.697 -8.141 5.433 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -4.139 -8.512 3.022 1.00 1.00 H new ATOM 0 HD2 TYR A 22 -6.729 -11.183 5.171 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -4.950 -9.456 0.875 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -7.538 -12.125 3.026 1.00 1.00 H new ATOM 0 HH TYR A 22 -7.410 -12.076 0.799 1.00 1.00 H new ATOM 343 N THR A 23 -3.845 -9.441 8.343 1.00 1.00 N ATOM 344 CA THR A 23 -3.445 -8.882 9.629 1.00 1.00 C ATOM 345 C THR A 23 -2.191 -9.580 10.147 1.00 1.00 C ATOM 346 O THR A 23 -1.262 -8.935 10.634 1.00 1.00 O ATOM 347 CB THR A 23 -4.579 -9.025 10.654 1.00 1.00 C ATOM 348 OG1 THR A 23 -5.795 -8.563 10.081 1.00 1.00 O ATOM 349 CG2 THR A 23 -4.264 -8.194 11.905 1.00 1.00 C ATOM 0 H THR A 23 -4.732 -9.944 8.354 1.00 1.00 H new ATOM 0 HA THR A 23 -3.228 -7.823 9.487 1.00 1.00 H new ATOM 0 HB THR A 23 -4.676 -10.074 10.933 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.520 -8.655 10.734 1.00 1.00 H new ATOM 0 HG21 THR A 23 -5.074 -8.301 12.627 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.333 -8.545 12.350 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.161 -7.145 11.628 1.00 1.00 H new ATOM 357 N GLU A 24 -2.156 -10.905 10.045 1.00 1.00 N ATOM 358 CA GLU A 24 -1.005 -11.664 10.518 1.00 1.00 C ATOM 359 C GLU A 24 0.242 -11.302 9.726 1.00 1.00 C ATOM 360 O GLU A 24 1.316 -11.124 10.299 1.00 1.00 O ATOM 361 CB GLU A 24 -1.279 -13.163 10.378 1.00 1.00 C ATOM 362 CG GLU A 24 -0.135 -13.967 11.007 1.00 1.00 C ATOM 363 CD GLU A 24 -0.460 -15.458 10.961 1.00 1.00 C ATOM 364 OE1 GLU A 24 -1.406 -15.819 10.278 1.00 1.00 O ATOM 365 OE2 GLU A 24 0.241 -16.217 11.609 1.00 1.00 O ATOM 0 H GLU A 24 -2.904 -11.470 9.643 1.00 1.00 H new ATOM 0 HA GLU A 24 -0.838 -11.417 11.566 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -2.222 -13.416 10.864 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -1.383 -13.425 9.325 1.00 1.00 H new ATOM 0 HG2 GLU A 24 0.795 -13.772 10.472 1.00 1.00 H new ATOM 0 HG3 GLU A 24 0.018 -13.651 12.039 1.00 1.00 H new ATOM 372 N SER A 25 0.096 -11.199 8.410 1.00 1.00 N ATOM 373 CA SER A 25 1.231 -10.862 7.548 1.00 1.00 C ATOM 374 C SER A 25 1.917 -9.582 8.037 1.00 1.00 C ATOM 375 O SER A 25 3.100 -9.361 7.781 1.00 1.00 O ATOM 376 CB SER A 25 0.749 -10.669 6.108 1.00 1.00 C ATOM 377 OG SER A 25 0.516 -11.939 5.519 1.00 1.00 O ATOM 0 H SER A 25 -0.786 -11.342 7.917 1.00 1.00 H new ATOM 0 HA SER A 25 1.950 -11.681 7.585 1.00 1.00 H new ATOM 0 HB2 SER A 25 -0.165 -10.075 6.094 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.494 -10.120 5.533 1.00 1.00 H new ATOM 0 HG SER A 25 -0.285 -12.341 5.915 1.00 1.00 H new ATOM 383 N ILE A 26 1.179 -8.732 8.743 1.00 1.00 N ATOM 384 CA ILE A 26 1.744 -7.476 9.256 1.00 1.00 C ATOM 385 C ILE A 26 3.106 -7.734 9.898 1.00 1.00 C ATOM 386 O ILE A 26 3.969 -6.857 9.919 1.00 1.00 O ATOM 387 CB ILE A 26 0.800 -6.851 10.304 1.00 1.00 C ATOM 388 CG1 ILE A 26 -0.492 -6.395 9.609 1.00 1.00 C ATOM 389 CG2 ILE A 26 1.479 -5.647 10.993 1.00 1.00 C ATOM 390 CD1 ILE A 26 -1.529 -5.950 10.652 1.00 1.00 C ATOM 0 H ILE A 26 0.197 -8.882 8.975 1.00 1.00 H new ATOM 0 HA ILE A 26 1.861 -6.787 8.420 1.00 1.00 H new ATOM 0 HB ILE A 26 0.566 -7.596 11.065 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.276 -5.573 8.927 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.897 -7.209 9.008 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.799 -5.218 11.729 1.00 1.00 H new ATOM 0 HG22 ILE A 26 2.390 -5.979 11.491 1.00 1.00 H new ATOM 0 HG23 ILE A 26 1.728 -4.893 10.246 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -2.440 -5.629 10.146 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -1.757 -6.783 11.317 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.127 -5.121 11.234 1.00 1.00 H new ATOM 402 N ASP A 27 3.291 -8.941 10.423 1.00 1.00 N ATOM 403 CA ASP A 27 4.552 -9.269 11.061 1.00 1.00 C ATOM 404 C ASP A 27 5.676 -9.338 10.030 1.00 1.00 C ATOM 405 O ASP A 27 6.744 -8.757 10.223 1.00 1.00 O ATOM 406 CB ASP A 27 4.423 -10.610 11.798 1.00 1.00 C ATOM 407 CG ASP A 27 3.972 -11.705 10.842 1.00 1.00 C ATOM 408 OD1 ASP A 27 3.520 -11.372 9.766 1.00 1.00 O ATOM 409 OD2 ASP A 27 4.087 -12.865 11.202 1.00 1.00 O ATOM 0 H ASP A 27 2.599 -9.690 10.419 1.00 1.00 H new ATOM 0 HA ASP A 27 4.797 -8.486 11.779 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.381 -10.880 12.243 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.707 -10.515 12.615 1.00 1.00 H new ATOM 414 N LEU A 28 5.408 -10.060 8.947 1.00 1.00 N ATOM 415 CA LEU A 28 6.417 -10.202 7.908 1.00 1.00 C ATOM 416 C LEU A 28 6.901 -8.836 7.429 1.00 1.00 C ATOM 417 O LEU A 28 8.102 -8.565 7.454 1.00 1.00 O ATOM 418 CB LEU A 28 5.830 -11.014 6.718 1.00 1.00 C ATOM 419 CG LEU A 28 6.035 -12.538 6.893 1.00 1.00 C ATOM 420 CD1 LEU A 28 7.527 -12.898 6.837 1.00 1.00 C ATOM 421 CD2 LEU A 28 5.437 -13.016 8.219 1.00 1.00 C ATOM 0 H LEU A 28 4.527 -10.542 8.769 1.00 1.00 H new ATOM 0 HA LEU A 28 7.272 -10.736 8.322 1.00 1.00 H new ATOM 0 HB2 LEU A 28 4.765 -10.801 6.625 1.00 1.00 H new ATOM 0 HB3 LEU A 28 6.302 -10.690 5.791 1.00 1.00 H new ATOM 0 HG LEU A 28 5.522 -13.040 6.073 1.00 1.00 H new ATOM 0 HD11 LEU A 28 7.647 -13.974 6.962 1.00 1.00 H new ATOM 0 HD12 LEU A 28 7.938 -12.597 5.873 1.00 1.00 H new ATOM 0 HD13 LEU A 28 8.057 -12.379 7.636 1.00 1.00 H new ATOM 0 HD21 LEU A 28 5.592 -14.090 8.322 1.00 1.00 H new ATOM 0 HD22 LEU A 28 5.924 -12.498 9.045 1.00 1.00 H new ATOM 0 HD23 LEU A 28 4.369 -12.801 8.235 1.00 1.00 H new ATOM 433 N PHE A 29 5.972 -7.984 7.006 1.00 1.00 N ATOM 434 CA PHE A 29 6.354 -6.665 6.539 1.00 1.00 C ATOM 435 C PHE A 29 7.066 -5.893 7.651 1.00 1.00 C ATOM 436 O PHE A 29 8.101 -5.269 7.412 1.00 1.00 O ATOM 437 CB PHE A 29 5.113 -5.889 6.085 1.00 1.00 C ATOM 438 CG PHE A 29 4.551 -6.494 4.810 1.00 1.00 C ATOM 439 CD1 PHE A 29 5.265 -6.379 3.610 1.00 1.00 C ATOM 440 CD2 PHE A 29 3.314 -7.162 4.822 1.00 1.00 C ATOM 441 CE1 PHE A 29 4.748 -6.928 2.429 1.00 1.00 C ATOM 442 CE2 PHE A 29 2.800 -7.705 3.641 1.00 1.00 C ATOM 443 CZ PHE A 29 3.516 -7.589 2.443 1.00 1.00 C ATOM 0 H PHE A 29 4.972 -8.181 6.978 1.00 1.00 H new ATOM 0 HA PHE A 29 7.035 -6.779 5.696 1.00 1.00 H new ATOM 0 HB2 PHE A 29 4.356 -5.909 6.869 1.00 1.00 H new ATOM 0 HB3 PHE A 29 5.371 -4.843 5.917 1.00 1.00 H new ATOM 0 HD1 PHE A 29 6.215 -5.866 3.595 1.00 1.00 H new ATOM 0 HD2 PHE A 29 2.760 -7.256 5.745 1.00 1.00 H new ATOM 0 HE1 PHE A 29 5.302 -6.840 1.506 1.00 1.00 H new ATOM 0 HE2 PHE A 29 1.848 -8.215 3.652 1.00 1.00 H new ATOM 0 HZ PHE A 29 3.117 -8.009 1.532 1.00 1.00 H new ATOM 453 N GLU A 30 6.506 -5.940 8.854 1.00 1.00 N ATOM 454 CA GLU A 30 7.112 -5.231 9.981 1.00 1.00 C ATOM 455 C GLU A 30 8.581 -5.626 10.143 1.00 1.00 C ATOM 456 O GLU A 30 9.419 -4.784 10.465 1.00 1.00 O ATOM 457 CB GLU A 30 6.342 -5.551 11.281 1.00 1.00 C ATOM 458 CG GLU A 30 5.102 -4.652 11.406 1.00 1.00 C ATOM 459 CD GLU A 30 5.527 -3.229 11.751 1.00 1.00 C ATOM 460 OE1 GLU A 30 6.241 -3.064 12.726 1.00 1.00 O ATOM 461 OE2 GLU A 30 5.136 -2.324 11.030 1.00 1.00 O ATOM 0 H GLU A 30 5.651 -6.450 9.075 1.00 1.00 H new ATOM 0 HA GLU A 30 7.059 -4.161 9.781 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.041 -6.599 11.284 1.00 1.00 H new ATOM 0 HB3 GLU A 30 6.994 -5.404 12.142 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.542 -4.657 10.471 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.437 -5.040 12.178 1.00 1.00 H new ATOM 468 N LYS A 31 8.879 -6.903 9.918 1.00 1.00 N ATOM 469 CA LYS A 31 10.255 -7.378 10.049 1.00 1.00 C ATOM 470 C LYS A 31 11.126 -6.838 8.917 1.00 1.00 C ATOM 471 O LYS A 31 12.249 -6.391 9.144 1.00 1.00 O ATOM 472 CB LYS A 31 10.283 -8.914 10.047 1.00 1.00 C ATOM 473 CG LYS A 31 9.684 -9.445 11.361 1.00 1.00 C ATOM 474 CD LYS A 31 9.590 -10.991 11.329 1.00 1.00 C ATOM 475 CE LYS A 31 10.952 -11.626 11.649 1.00 1.00 C ATOM 476 NZ LYS A 31 10.783 -13.102 11.790 1.00 1.00 N ATOM 0 H LYS A 31 8.201 -7.616 9.649 1.00 1.00 H new ATOM 0 HA LYS A 31 10.656 -7.013 10.995 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.717 -9.297 9.197 1.00 1.00 H new ATOM 0 HB3 LYS A 31 11.307 -9.269 9.934 1.00 1.00 H new ATOM 0 HG2 LYS A 31 10.301 -9.130 12.202 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.693 -9.018 11.515 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.847 -11.330 12.051 1.00 1.00 H new ATOM 0 HD3 LYS A 31 9.252 -11.319 10.346 1.00 1.00 H new ATOM 0 HE2 LYS A 31 11.666 -11.404 10.856 1.00 1.00 H new ATOM 0 HE3 LYS A 31 11.356 -11.204 12.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 11.702 -13.538 12.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 10.114 -13.303 12.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 10.415 -13.496 10.901 1.00 1.00 H new ATOM 490 N ALA A 32 10.594 -6.892 7.700 1.00 1.00 N ATOM 491 CA ALA A 32 11.338 -6.413 6.543 1.00 1.00 C ATOM 492 C ALA A 32 11.572 -4.904 6.631 1.00 1.00 C ATOM 493 O ALA A 32 12.703 -4.436 6.500 1.00 1.00 O ATOM 494 CB ALA A 32 10.568 -6.747 5.268 1.00 1.00 C ATOM 0 H ALA A 32 9.665 -7.257 7.492 1.00 1.00 H new ATOM 0 HA ALA A 32 12.309 -6.907 6.524 1.00 1.00 H new ATOM 0 HB1 ALA A 32 11.125 -6.389 4.402 1.00 1.00 H new ATOM 0 HB2 ALA A 32 10.438 -7.827 5.194 1.00 1.00 H new ATOM 0 HB3 ALA A 32 9.591 -6.265 5.296 1.00 1.00 H new ATOM 500 N ILE A 33 10.489 -4.168 6.853 1.00 1.00 N ATOM 501 CA ILE A 33 10.580 -2.716 6.969 1.00 1.00 C ATOM 502 C ILE A 33 11.542 -2.331 8.092 1.00 1.00 C ATOM 503 O ILE A 33 12.217 -1.303 8.028 1.00 1.00 O ATOM 504 CB ILE A 33 9.191 -2.126 7.240 1.00 1.00 C ATOM 505 CG1 ILE A 33 8.256 -2.462 6.067 1.00 1.00 C ATOM 506 CG2 ILE A 33 9.284 -0.602 7.407 1.00 1.00 C ATOM 507 CD1 ILE A 33 6.812 -2.117 6.442 1.00 1.00 C ATOM 0 H ILE A 33 9.547 -4.547 6.955 1.00 1.00 H new ATOM 0 HA ILE A 33 10.962 -2.312 6.031 1.00 1.00 H new ATOM 0 HB ILE A 33 8.795 -2.556 8.160 1.00 1.00 H new ATOM 0 HG12 ILE A 33 8.555 -1.904 5.180 1.00 1.00 H new ATOM 0 HG13 ILE A 33 8.334 -3.520 5.819 1.00 1.00 H new ATOM 0 HG21 ILE A 33 8.291 -0.196 7.599 1.00 1.00 H new ATOM 0 HG22 ILE A 33 9.940 -0.367 8.245 1.00 1.00 H new ATOM 0 HG23 ILE A 33 9.687 -0.160 6.496 1.00 1.00 H new ATOM 0 HD11 ILE A 33 6.152 -2.357 5.608 1.00 1.00 H new ATOM 0 HD12 ILE A 33 6.515 -2.695 7.317 1.00 1.00 H new ATOM 0 HD13 ILE A 33 6.739 -1.053 6.668 1.00 1.00 H new ATOM 519 N GLN A 34 11.610 -3.157 9.132 1.00 1.00 N ATOM 520 CA GLN A 34 12.494 -2.886 10.263 1.00 1.00 C ATOM 521 C GLN A 34 13.953 -3.045 9.853 1.00 1.00 C ATOM 522 O GLN A 34 14.825 -2.342 10.363 1.00 1.00 O ATOM 523 CB GLN A 34 12.166 -3.840 11.416 1.00 1.00 C ATOM 524 CG GLN A 34 13.075 -3.562 12.618 1.00 1.00 C ATOM 525 CD GLN A 34 12.598 -4.383 13.813 1.00 1.00 C ATOM 526 OE1 GLN A 34 11.462 -4.858 13.821 1.00 1.00 O ATOM 527 NE2 GLN A 34 13.396 -4.586 14.823 1.00 1.00 N ATOM 0 H GLN A 34 11.066 -4.016 9.216 1.00 1.00 H new ATOM 0 HA GLN A 34 12.338 -1.858 10.590 1.00 1.00 H new ATOM 0 HB2 GLN A 34 11.122 -3.723 11.707 1.00 1.00 H new ATOM 0 HB3 GLN A 34 12.291 -4.872 11.089 1.00 1.00 H new ATOM 0 HG2 GLN A 34 14.106 -3.818 12.375 1.00 1.00 H new ATOM 0 HG3 GLN A 34 13.059 -2.500 12.862 1.00 1.00 H new ATOM 0 HE21 GLN A 34 14.337 -4.193 14.817 1.00 1.00 H new ATOM 0 HE22 GLN A 34 13.080 -5.138 15.620 1.00 1.00 H new ATOM 536 N LEU A 35 14.193 -3.969 8.929 1.00 1.00 N ATOM 537 CA LEU A 35 15.552 -4.210 8.448 1.00 1.00 C ATOM 538 C LEU A 35 16.020 -3.057 7.571 1.00 1.00 C ATOM 539 O LEU A 35 17.182 -2.651 7.626 1.00 1.00 O ATOM 540 CB LEU A 35 15.618 -5.533 7.667 1.00 1.00 C ATOM 541 CG LEU A 35 15.451 -6.738 8.623 1.00 1.00 C ATOM 542 CD1 LEU A 35 15.204 -8.017 7.803 1.00 1.00 C ATOM 543 CD2 LEU A 35 16.718 -6.938 9.479 1.00 1.00 C ATOM 0 H LEU A 35 13.477 -4.557 8.502 1.00 1.00 H new ATOM 0 HA LEU A 35 16.214 -4.281 9.311 1.00 1.00 H new ATOM 0 HB2 LEU A 35 14.836 -5.553 6.908 1.00 1.00 H new ATOM 0 HB3 LEU A 35 16.572 -5.606 7.144 1.00 1.00 H new ATOM 0 HG LEU A 35 14.604 -6.538 9.279 1.00 1.00 H new ATOM 0 HD11 LEU A 35 15.087 -8.865 8.478 1.00 1.00 H new ATOM 0 HD12 LEU A 35 14.298 -7.899 7.208 1.00 1.00 H new ATOM 0 HD13 LEU A 35 16.052 -8.195 7.142 1.00 1.00 H new ATOM 0 HD21 LEU A 35 16.577 -7.791 10.143 1.00 1.00 H new ATOM 0 HD22 LEU A 35 17.572 -7.123 8.827 1.00 1.00 H new ATOM 0 HD23 LEU A 35 16.901 -6.042 10.072 1.00 1.00 H new ATOM 555 N ASP A 36 15.108 -2.529 6.760 1.00 1.00 N ATOM 556 CA ASP A 36 15.447 -1.422 5.872 1.00 1.00 C ATOM 557 C ASP A 36 14.172 -0.726 5.365 1.00 1.00 C ATOM 558 O ASP A 36 13.578 -1.194 4.394 1.00 1.00 O ATOM 559 CB ASP A 36 16.242 -1.957 4.684 1.00 1.00 C ATOM 560 CG ASP A 36 16.795 -0.799 3.860 1.00 1.00 C ATOM 561 OD1 ASP A 36 17.159 0.204 4.453 1.00 1.00 O ATOM 562 OD2 ASP A 36 16.845 -0.929 2.645 1.00 1.00 O ATOM 0 H ASP A 36 14.140 -2.845 6.699 1.00 1.00 H new ATOM 0 HA ASP A 36 16.044 -0.696 6.424 1.00 1.00 H new ATOM 0 HB2 ASP A 36 17.060 -2.586 5.037 1.00 1.00 H new ATOM 0 HB3 ASP A 36 15.603 -2.584 4.062 1.00 1.00 H new ATOM 567 N PRO A 37 13.765 0.351 5.983 1.00 1.00 N ATOM 568 CA PRO A 37 12.540 1.075 5.542 1.00 1.00 C ATOM 569 C PRO A 37 12.817 2.011 4.367 1.00 1.00 C ATOM 570 O PRO A 37 12.537 3.209 4.419 1.00 1.00 O ATOM 571 CB PRO A 37 12.121 1.842 6.806 1.00 1.00 C ATOM 572 CG PRO A 37 13.416 2.176 7.478 1.00 1.00 C ATOM 573 CD PRO A 37 14.385 1.019 7.149 1.00 1.00 C ATOM 0 HA PRO A 37 11.762 0.409 5.170 1.00 1.00 H new ATOM 0 HB2 PRO A 37 11.557 2.741 6.558 1.00 1.00 H new ATOM 0 HB3 PRO A 37 11.484 1.234 7.448 1.00 1.00 H new ATOM 0 HG2 PRO A 37 13.808 3.127 7.116 1.00 1.00 H new ATOM 0 HG3 PRO A 37 13.281 2.276 8.555 1.00 1.00 H new ATOM 0 HD2 PRO A 37 15.383 1.389 6.913 1.00 1.00 H new ATOM 0 HD3 PRO A 37 14.490 0.335 7.991 1.00 1.00 H new ATOM 581 N GLU A 38 13.363 1.459 3.289 1.00 1.00 N ATOM 582 CA GLU A 38 13.684 2.229 2.080 1.00 1.00 C ATOM 583 C GLU A 38 13.139 1.522 0.841 1.00 1.00 C ATOM 584 O GLU A 38 13.061 2.118 -0.234 1.00 1.00 O ATOM 585 CB GLU A 38 15.211 2.403 1.960 1.00 1.00 C ATOM 586 CG GLU A 38 15.555 3.333 0.784 1.00 1.00 C ATOM 587 CD GLU A 38 17.061 3.577 0.734 1.00 1.00 C ATOM 588 OE1 GLU A 38 17.724 3.276 1.714 1.00 1.00 O ATOM 589 OE2 GLU A 38 17.530 4.055 -0.287 1.00 1.00 O ATOM 0 H GLU A 38 13.597 0.468 3.223 1.00 1.00 H new ATOM 0 HA GLU A 38 13.218 3.211 2.154 1.00 1.00 H new ATOM 0 HB2 GLU A 38 15.610 2.815 2.887 1.00 1.00 H new ATOM 0 HB3 GLU A 38 15.684 1.432 1.814 1.00 1.00 H new ATOM 0 HG2 GLU A 38 15.219 2.888 -0.153 1.00 1.00 H new ATOM 0 HG3 GLU A 38 15.028 4.281 0.893 1.00 1.00 H new ATOM 596 N GLU A 39 12.756 0.256 0.976 1.00 1.00 N ATOM 597 CA GLU A 39 12.230 -0.521 -0.143 1.00 1.00 C ATOM 598 C GLU A 39 10.755 -0.198 -0.371 1.00 1.00 C ATOM 599 O GLU A 39 9.873 -0.796 0.243 1.00 1.00 O ATOM 600 CB GLU A 39 12.408 -2.026 0.168 1.00 1.00 C ATOM 601 CG GLU A 39 12.428 -2.840 -1.132 1.00 1.00 C ATOM 602 CD GLU A 39 13.721 -2.580 -1.899 1.00 1.00 C ATOM 603 OE1 GLU A 39 14.578 -1.892 -1.365 1.00 1.00 O ATOM 604 OE2 GLU A 39 13.840 -3.078 -3.006 1.00 1.00 O ATOM 0 H GLU A 39 12.800 -0.257 1.856 1.00 1.00 H new ATOM 0 HA GLU A 39 12.775 -0.266 -1.052 1.00 1.00 H new ATOM 0 HB2 GLU A 39 13.336 -2.183 0.718 1.00 1.00 H new ATOM 0 HB3 GLU A 39 11.596 -2.370 0.808 1.00 1.00 H new ATOM 0 HG2 GLU A 39 12.339 -3.902 -0.905 1.00 1.00 H new ATOM 0 HG3 GLU A 39 11.571 -2.573 -1.750 1.00 1.00 H new ATOM 611 N SER A 40 10.485 0.754 -1.259 1.00 1.00 N ATOM 612 CA SER A 40 9.119 1.147 -1.558 1.00 1.00 C ATOM 613 C SER A 40 8.279 -0.069 -1.943 1.00 1.00 C ATOM 614 O SER A 40 7.108 -0.164 -1.574 1.00 1.00 O ATOM 615 CB SER A 40 9.115 2.146 -2.706 1.00 1.00 C ATOM 616 OG SER A 40 9.970 3.229 -2.377 1.00 1.00 O ATOM 0 H SER A 40 11.196 1.265 -1.782 1.00 1.00 H new ATOM 0 HA SER A 40 8.688 1.604 -0.667 1.00 1.00 H new ATOM 0 HB2 SER A 40 9.452 1.666 -3.625 1.00 1.00 H new ATOM 0 HB3 SER A 40 8.103 2.507 -2.888 1.00 1.00 H new ATOM 0 HG SER A 40 9.975 3.877 -3.112 1.00 1.00 H new ATOM 622 N LYS A 41 8.874 -0.996 -2.685 1.00 1.00 N ATOM 623 CA LYS A 41 8.173 -2.205 -3.121 1.00 1.00 C ATOM 624 C LYS A 41 7.502 -2.883 -1.931 1.00 1.00 C ATOM 625 O LYS A 41 6.433 -3.479 -2.062 1.00 1.00 O ATOM 626 CB LYS A 41 9.170 -3.174 -3.783 1.00 1.00 C ATOM 627 CG LYS A 41 8.434 -4.389 -4.374 1.00 1.00 C ATOM 628 CD LYS A 41 9.438 -5.302 -5.103 1.00 1.00 C ATOM 629 CE LYS A 41 8.696 -6.510 -5.692 1.00 1.00 C ATOM 630 NZ LYS A 41 9.661 -7.400 -6.402 1.00 1.00 N ATOM 0 H LYS A 41 9.842 -0.936 -2.999 1.00 1.00 H new ATOM 0 HA LYS A 41 7.407 -1.928 -3.845 1.00 1.00 H new ATOM 0 HB2 LYS A 41 9.720 -2.657 -4.570 1.00 1.00 H new ATOM 0 HB3 LYS A 41 9.903 -3.508 -3.049 1.00 1.00 H new ATOM 0 HG2 LYS A 41 7.933 -4.944 -3.581 1.00 1.00 H new ATOM 0 HG3 LYS A 41 7.661 -4.056 -5.067 1.00 1.00 H new ATOM 0 HD2 LYS A 41 9.940 -4.748 -5.896 1.00 1.00 H new ATOM 0 HD3 LYS A 41 10.210 -5.638 -4.411 1.00 1.00 H new ATOM 0 HE2 LYS A 41 8.194 -7.063 -4.898 1.00 1.00 H new ATOM 0 HE3 LYS A 41 7.923 -6.172 -6.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 9.153 -8.216 -6.799 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 10.120 -6.871 -7.171 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 10.383 -7.734 -5.732 1.00 1.00 H new ATOM 644 N TYR A 42 8.111 -2.800 -0.753 1.00 1.00 N ATOM 645 CA TYR A 42 7.559 -3.408 0.458 1.00 1.00 C ATOM 646 C TYR A 42 6.431 -2.545 1.021 1.00 1.00 C ATOM 647 O TYR A 42 5.421 -3.062 1.501 1.00 1.00 O ATOM 648 CB TYR A 42 8.683 -3.572 1.508 1.00 1.00 C ATOM 649 CG TYR A 42 9.490 -4.834 1.224 1.00 1.00 C ATOM 650 CD1 TYR A 42 10.127 -4.998 -0.015 1.00 1.00 C ATOM 651 CD2 TYR A 42 9.602 -5.833 2.200 1.00 1.00 C ATOM 652 CE1 TYR A 42 10.872 -6.155 -0.271 1.00 1.00 C ATOM 653 CE2 TYR A 42 10.344 -6.987 1.939 1.00 1.00 C ATOM 654 CZ TYR A 42 10.980 -7.149 0.705 1.00 1.00 C ATOM 655 OH TYR A 42 11.714 -8.290 0.455 1.00 1.00 O ATOM 0 H TYR A 42 8.996 -2.313 -0.608 1.00 1.00 H new ATOM 0 HA TYR A 42 7.149 -4.388 0.212 1.00 1.00 H new ATOM 0 HB2 TYR A 42 9.338 -2.701 1.489 1.00 1.00 H new ATOM 0 HB3 TYR A 42 8.252 -3.625 2.508 1.00 1.00 H new ATOM 0 HD1 TYR A 42 10.043 -4.232 -0.771 1.00 1.00 H new ATOM 0 HD2 TYR A 42 9.114 -5.710 3.156 1.00 1.00 H new ATOM 0 HE1 TYR A 42 11.364 -6.280 -1.224 1.00 1.00 H new ATOM 0 HE2 TYR A 42 10.427 -7.756 2.693 1.00 1.00 H new ATOM 0 HH TYR A 42 11.247 -9.067 0.827 1.00 1.00 H new ATOM 665 N TRP A 43 6.608 -1.230 0.955 1.00 1.00 N ATOM 666 CA TRP A 43 5.597 -0.307 1.463 1.00 1.00 C ATOM 667 C TRP A 43 4.379 -0.300 0.543 1.00 1.00 C ATOM 668 O TRP A 43 3.243 -0.187 1.004 1.00 1.00 O ATOM 669 CB TRP A 43 6.203 1.113 1.572 1.00 1.00 C ATOM 670 CG TRP A 43 6.796 1.331 2.932 1.00 1.00 C ATOM 671 CD1 TRP A 43 8.116 1.408 3.217 1.00 1.00 C ATOM 672 CD2 TRP A 43 6.092 1.496 4.194 1.00 1.00 C ATOM 673 NE1 TRP A 43 8.264 1.620 4.578 1.00 1.00 N ATOM 674 CE2 TRP A 43 7.044 1.681 5.222 1.00 1.00 C ATOM 675 CE3 TRP A 43 4.729 1.506 4.536 1.00 1.00 C ATOM 676 CZ2 TRP A 43 6.653 1.869 6.548 1.00 1.00 C ATOM 677 CZ3 TRP A 43 4.332 1.693 5.868 1.00 1.00 C ATOM 678 CH2 TRP A 43 5.293 1.875 6.874 1.00 1.00 C ATOM 0 H TRP A 43 7.434 -0.781 0.559 1.00 1.00 H new ATOM 0 HA TRP A 43 5.276 -0.633 2.452 1.00 1.00 H new ATOM 0 HB2 TRP A 43 6.970 1.246 0.809 1.00 1.00 H new ATOM 0 HB3 TRP A 43 5.431 1.859 1.382 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.921 1.319 2.502 1.00 1.00 H new ATOM 0 HE1 TRP A 43 9.164 1.719 5.047 1.00 1.00 H new ATOM 0 HE3 TRP A 43 3.982 1.369 3.768 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 7.397 2.009 7.319 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.282 1.697 6.121 1.00 1.00 H new ATOM 0 HH2 TRP A 43 4.983 2.019 7.898 1.00 1.00 H new ATOM 689 N LEU A 44 4.637 -0.418 -0.755 1.00 1.00 N ATOM 690 CA LEU A 44 3.554 -0.414 -1.726 1.00 1.00 C ATOM 691 C LEU A 44 2.548 -1.516 -1.403 1.00 1.00 C ATOM 692 O LEU A 44 1.339 -1.306 -1.512 1.00 1.00 O ATOM 693 CB LEU A 44 4.131 -0.617 -3.143 1.00 1.00 C ATOM 694 CG LEU A 44 3.005 -0.827 -4.175 1.00 1.00 C ATOM 695 CD1 LEU A 44 2.024 0.357 -4.129 1.00 1.00 C ATOM 696 CD2 LEU A 44 3.617 -0.941 -5.574 1.00 1.00 C ATOM 0 H LEU A 44 5.571 -0.516 -1.153 1.00 1.00 H new ATOM 0 HA LEU A 44 3.039 0.546 -1.682 1.00 1.00 H new ATOM 0 HB2 LEU A 44 4.729 0.250 -3.423 1.00 1.00 H new ATOM 0 HB3 LEU A 44 4.798 -1.479 -3.147 1.00 1.00 H new ATOM 0 HG LEU A 44 2.463 -1.743 -3.939 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.231 0.201 -4.861 1.00 1.00 H new ATOM 0 HD12 LEU A 44 1.589 0.430 -3.132 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.556 1.280 -4.361 1.00 1.00 H new ATOM 0 HD21 LEU A 44 2.824 -1.090 -6.307 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.161 -0.026 -5.809 1.00 1.00 H new ATOM 0 HD23 LEU A 44 4.302 -1.788 -5.604 1.00 1.00 H new ATOM 708 N MET A 45 3.061 -2.677 -1.009 1.00 1.00 N ATOM 709 CA MET A 45 2.178 -3.788 -0.697 1.00 1.00 C ATOM 710 C MET A 45 1.276 -3.445 0.485 1.00 1.00 C ATOM 711 O MET A 45 0.088 -3.769 0.475 1.00 1.00 O ATOM 712 CB MET A 45 3.018 -5.030 -0.377 1.00 1.00 C ATOM 713 CG MET A 45 3.745 -5.493 -1.647 1.00 1.00 C ATOM 714 SD MET A 45 4.778 -6.939 -1.275 1.00 1.00 S ATOM 715 CE MET A 45 3.535 -8.222 -1.580 1.00 1.00 C ATOM 0 H MET A 45 4.057 -2.868 -0.901 1.00 1.00 H new ATOM 0 HA MET A 45 1.544 -3.989 -1.560 1.00 1.00 H new ATOM 0 HB2 MET A 45 3.741 -4.802 0.407 1.00 1.00 H new ATOM 0 HB3 MET A 45 2.379 -5.828 0.001 1.00 1.00 H new ATOM 0 HG2 MET A 45 3.020 -5.743 -2.421 1.00 1.00 H new ATOM 0 HG3 MET A 45 4.363 -4.685 -2.038 1.00 1.00 H new ATOM 0 HE1 MET A 45 3.975 -9.204 -1.404 1.00 1.00 H new ATOM 0 HE2 MET A 45 2.690 -8.077 -0.907 1.00 1.00 H new ATOM 0 HE3 MET A 45 3.192 -8.158 -2.612 1.00 1.00 H new ATOM 725 N LYS A 46 1.880 -2.797 1.476 1.00 1.00 N ATOM 726 CA LYS A 46 1.117 -2.429 2.667 1.00 1.00 C ATOM 727 C LYS A 46 -0.155 -1.665 2.285 1.00 1.00 C ATOM 728 O LYS A 46 -1.244 -1.987 2.762 1.00 1.00 O ATOM 729 CB LYS A 46 1.974 -1.548 3.586 1.00 1.00 C ATOM 730 CG LYS A 46 1.295 -1.371 4.964 1.00 1.00 C ATOM 731 CD LYS A 46 1.372 -2.688 5.779 1.00 1.00 C ATOM 732 CE LYS A 46 1.179 -2.400 7.268 1.00 1.00 C ATOM 733 NZ LYS A 46 1.151 -3.691 8.014 1.00 1.00 N ATOM 0 H LYS A 46 2.862 -2.522 1.483 1.00 1.00 H new ATOM 0 HA LYS A 46 0.838 -3.346 3.187 1.00 1.00 H new ATOM 0 HB2 LYS A 46 2.958 -1.998 3.715 1.00 1.00 H new ATOM 0 HB3 LYS A 46 2.128 -0.573 3.123 1.00 1.00 H new ATOM 0 HG2 LYS A 46 1.781 -0.566 5.515 1.00 1.00 H new ATOM 0 HG3 LYS A 46 0.253 -1.080 4.828 1.00 1.00 H new ATOM 0 HD2 LYS A 46 0.607 -3.383 5.434 1.00 1.00 H new ATOM 0 HD3 LYS A 46 2.337 -3.169 5.616 1.00 1.00 H new ATOM 0 HE2 LYS A 46 1.988 -1.770 7.637 1.00 1.00 H new ATOM 0 HE3 LYS A 46 0.250 -1.853 7.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 0.550 -3.592 8.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 0.766 -4.438 7.401 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 2.117 -3.945 8.305 1.00 1.00 H new ATOM 747 N GLY A 47 -0.010 -0.661 1.428 1.00 1.00 N ATOM 748 CA GLY A 47 -1.162 0.134 1.010 1.00 1.00 C ATOM 749 C GLY A 47 -2.296 -0.761 0.518 1.00 1.00 C ATOM 750 O GLY A 47 -3.443 -0.599 0.932 1.00 1.00 O ATOM 0 H GLY A 47 0.879 -0.380 1.014 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -1.510 0.742 1.845 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -0.866 0.821 0.217 1.00 1.00 H new ATOM 754 N LYS A 48 -1.960 -1.702 -0.359 1.00 1.00 N ATOM 755 CA LYS A 48 -2.971 -2.615 -0.888 1.00 1.00 C ATOM 756 C LYS A 48 -3.646 -3.384 0.249 1.00 1.00 C ATOM 757 O LYS A 48 -4.851 -3.629 0.205 1.00 1.00 O ATOM 758 CB LYS A 48 -2.314 -3.615 -1.884 1.00 1.00 C ATOM 759 CG LYS A 48 -2.575 -3.199 -3.347 1.00 1.00 C ATOM 760 CD LYS A 48 -1.728 -1.953 -3.711 1.00 1.00 C ATOM 761 CE LYS A 48 -0.353 -2.381 -4.243 1.00 1.00 C ATOM 762 NZ LYS A 48 -0.518 -3.291 -5.412 1.00 1.00 N ATOM 0 H LYS A 48 -1.016 -1.852 -0.714 1.00 1.00 H new ATOM 0 HA LYS A 48 -3.727 -2.030 -1.411 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.240 -3.661 -1.702 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -2.709 -4.616 -1.712 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.328 -4.023 -4.016 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -3.634 -2.981 -3.487 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -2.247 -1.359 -4.463 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -1.605 -1.319 -2.833 1.00 1.00 H new ATOM 0 HE2 LYS A 48 0.223 -1.502 -4.534 1.00 1.00 H new ATOM 0 HE3 LYS A 48 0.210 -2.884 -3.457 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 0.173 -3.040 -6.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -0.361 -4.274 -5.111 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -1.481 -3.195 -5.793 1.00 1.00 H new ATOM 776 N ALA A 49 -2.873 -3.759 1.264 1.00 1.00 N ATOM 777 CA ALA A 49 -3.435 -4.505 2.377 1.00 1.00 C ATOM 778 C ALA A 49 -4.479 -3.672 3.111 1.00 1.00 C ATOM 779 O ALA A 49 -5.602 -4.124 3.343 1.00 1.00 O ATOM 780 CB ALA A 49 -2.310 -4.899 3.342 1.00 1.00 C ATOM 0 H ALA A 49 -1.875 -3.562 1.336 1.00 1.00 H new ATOM 0 HA ALA A 49 -3.921 -5.402 1.992 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -2.728 -5.459 4.179 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -1.582 -5.518 2.818 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.820 -4.000 3.716 1.00 1.00 H new ATOM 786 N LEU A 50 -4.082 -2.455 3.468 1.00 1.00 N ATOM 787 CA LEU A 50 -4.991 -1.559 4.176 1.00 1.00 C ATOM 788 C LEU A 50 -6.222 -1.266 3.328 1.00 1.00 C ATOM 789 O LEU A 50 -7.340 -1.252 3.847 1.00 1.00 O ATOM 790 CB LEU A 50 -4.239 -0.252 4.513 1.00 1.00 C ATOM 791 CG LEU A 50 -3.539 -0.369 5.880 1.00 1.00 C ATOM 792 CD1 LEU A 50 -2.645 -1.614 5.897 1.00 1.00 C ATOM 793 CD2 LEU A 50 -2.687 0.885 6.147 1.00 1.00 C ATOM 0 H LEU A 50 -3.155 -2.071 3.284 1.00 1.00 H new ATOM 0 HA LEU A 50 -5.328 -2.034 5.097 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.503 -0.039 3.738 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.939 0.584 4.526 1.00 1.00 H new ATOM 0 HG LEU A 50 -4.296 -0.456 6.660 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -2.151 -1.694 6.865 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -3.254 -2.502 5.726 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -1.893 -1.533 5.112 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.196 0.792 7.116 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.933 0.985 5.367 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.328 1.767 6.148 1.00 1.00 H new ATOM 805 N TYR A 51 -6.017 -1.036 2.036 1.00 1.00 N ATOM 806 CA TYR A 51 -7.131 -0.748 1.155 1.00 1.00 C ATOM 807 C TYR A 51 -8.091 -1.934 1.101 1.00 1.00 C ATOM 808 O TYR A 51 -9.301 -1.778 1.260 1.00 1.00 O ATOM 809 CB TYR A 51 -6.601 -0.427 -0.250 1.00 1.00 C ATOM 810 CG TYR A 51 -7.747 -0.397 -1.242 1.00 1.00 C ATOM 811 CD1 TYR A 51 -8.437 0.794 -1.485 1.00 1.00 C ATOM 812 CD2 TYR A 51 -8.123 -1.572 -1.908 1.00 1.00 C ATOM 813 CE1 TYR A 51 -9.501 0.812 -2.392 1.00 1.00 C ATOM 814 CE2 TYR A 51 -9.188 -1.553 -2.816 1.00 1.00 C ATOM 815 CZ TYR A 51 -9.876 -0.359 -3.060 1.00 1.00 C ATOM 816 OH TYR A 51 -10.926 -0.339 -3.953 1.00 1.00 O ATOM 0 H TYR A 51 -5.102 -1.044 1.585 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.676 0.114 1.540 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -6.089 0.535 -0.244 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.868 -1.176 -0.551 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -8.148 1.700 -0.973 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -7.590 -2.493 -1.720 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -10.035 1.732 -2.578 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -9.478 -2.459 -3.328 1.00 1.00 H new ATOM 0 HH TYR A 51 -10.939 0.521 -4.423 1.00 1.00 H new ATOM 826 N ASN A 52 -7.552 -3.126 0.872 1.00 1.00 N ATOM 827 CA ASN A 52 -8.378 -4.318 0.789 1.00 1.00 C ATOM 828 C ASN A 52 -9.141 -4.533 2.085 1.00 1.00 C ATOM 829 O ASN A 52 -10.238 -5.092 2.073 1.00 1.00 O ATOM 830 CB ASN A 52 -7.499 -5.538 0.494 1.00 1.00 C ATOM 831 CG ASN A 52 -6.936 -5.441 -0.922 1.00 1.00 C ATOM 832 OD1 ASN A 52 -5.757 -5.716 -1.145 1.00 1.00 O ATOM 833 ND2 ASN A 52 -7.718 -5.066 -1.897 1.00 1.00 N ATOM 0 H ASN A 52 -6.554 -3.289 0.742 1.00 1.00 H new ATOM 0 HA ASN A 52 -9.098 -4.186 -0.019 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -6.684 -5.593 1.216 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -8.083 -6.452 0.601 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -7.353 -5.000 -2.847 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -8.694 -4.839 -1.709 1.00 1.00 H new ATOM 840 N LEU A 53 -8.553 -4.089 3.191 1.00 1.00 N ATOM 841 CA LEU A 53 -9.178 -4.236 4.506 1.00 1.00 C ATOM 842 C LEU A 53 -10.222 -3.157 4.725 1.00 1.00 C ATOM 843 O LEU A 53 -10.746 -3.004 5.827 1.00 1.00 O ATOM 844 CB LEU A 53 -8.102 -4.200 5.630 1.00 1.00 C ATOM 845 CG LEU A 53 -7.658 -5.631 5.999 1.00 1.00 C ATOM 846 CD1 LEU A 53 -6.868 -6.263 4.842 1.00 1.00 C ATOM 847 CD2 LEU A 53 -6.806 -5.596 7.273 1.00 1.00 C ATOM 0 H LEU A 53 -7.645 -3.624 3.206 1.00 1.00 H new ATOM 0 HA LEU A 53 -9.677 -5.204 4.543 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.241 -3.620 5.299 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -8.504 -3.699 6.511 1.00 1.00 H new ATOM 0 HG LEU A 53 -8.543 -6.241 6.181 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -6.562 -7.272 5.119 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -7.497 -6.305 3.953 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -5.984 -5.660 4.633 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -6.494 -6.608 7.530 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -5.925 -4.977 7.105 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -7.392 -5.178 8.091 1.00 1.00 H new ATOM 859 N GLU A 54 -10.543 -2.409 3.675 1.00 1.00 N ATOM 860 CA GLU A 54 -11.547 -1.350 3.744 1.00 1.00 C ATOM 861 C GLU A 54 -11.002 -0.146 4.500 1.00 1.00 C ATOM 862 O GLU A 54 -11.757 0.634 5.079 1.00 1.00 O ATOM 863 CB GLU A 54 -12.828 -1.846 4.447 1.00 1.00 C ATOM 864 CG GLU A 54 -13.357 -3.113 3.767 1.00 1.00 C ATOM 865 CD GLU A 54 -13.817 -2.801 2.350 1.00 1.00 C ATOM 866 OE1 GLU A 54 -14.600 -1.878 2.192 1.00 1.00 O ATOM 867 OE2 GLU A 54 -13.387 -3.494 1.441 1.00 1.00 O ATOM 0 H GLU A 54 -10.117 -2.518 2.755 1.00 1.00 H new ATOM 0 HA GLU A 54 -11.790 -1.061 2.721 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -12.618 -2.050 5.497 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -13.590 -1.067 4.420 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -12.577 -3.874 3.744 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -14.186 -3.524 4.343 1.00 1.00 H new ATOM 874 N ARG A 55 -9.682 0.007 4.503 1.00 1.00 N ATOM 875 CA ARG A 55 -9.021 1.113 5.200 1.00 1.00 C ATOM 876 C ARG A 55 -8.471 2.119 4.191 1.00 1.00 C ATOM 877 O ARG A 55 -7.260 2.312 4.078 1.00 1.00 O ATOM 878 CB ARG A 55 -7.880 0.562 6.077 1.00 1.00 C ATOM 879 CG ARG A 55 -8.276 -0.768 6.715 1.00 1.00 C ATOM 880 CD ARG A 55 -9.405 -0.538 7.717 1.00 1.00 C ATOM 881 NE ARG A 55 -9.695 -1.768 8.440 1.00 1.00 N ATOM 882 CZ ARG A 55 -10.810 -1.903 9.150 1.00 1.00 C ATOM 883 NH1 ARG A 55 -11.670 -0.922 9.210 1.00 1.00 N ATOM 884 NH2 ARG A 55 -11.047 -3.016 9.788 1.00 1.00 N ATOM 0 H ARG A 55 -9.040 -0.626 4.026 1.00 1.00 H new ATOM 0 HA ARG A 55 -9.747 1.621 5.835 1.00 1.00 H new ATOM 0 HB2 ARG A 55 -6.984 0.427 5.472 1.00 1.00 H new ATOM 0 HB3 ARG A 55 -7.633 1.284 6.855 1.00 1.00 H new ATOM 0 HG2 ARG A 55 -8.596 -1.471 5.946 1.00 1.00 H new ATOM 0 HG3 ARG A 55 -7.416 -1.213 7.216 1.00 1.00 H new ATOM 0 HD2 ARG A 55 -9.124 0.247 8.419 1.00 1.00 H new ATOM 0 HD3 ARG A 55 -10.299 -0.195 7.196 1.00 1.00 H new ATOM 0 HE ARG A 55 -9.030 -2.540 8.401 1.00 1.00 H new ATOM 0 HH11 ARG A 55 -11.486 -0.051 8.712 1.00 1.00 H new ATOM 0 HH12 ARG A 55 -12.526 -1.027 9.755 1.00 1.00 H new ATOM 0 HH21 ARG A 55 -10.376 -3.783 9.742 1.00 1.00 H new ATOM 0 HH22 ARG A 55 -11.903 -3.119 10.333 1.00 1.00 H new ATOM 898 N TYR A 56 -9.376 2.761 3.459 1.00 1.00 N ATOM 899 CA TYR A 56 -8.978 3.740 2.458 1.00 1.00 C ATOM 900 C TYR A 56 -8.211 4.888 3.117 1.00 1.00 C ATOM 901 O TYR A 56 -7.242 5.408 2.565 1.00 1.00 O ATOM 902 CB TYR A 56 -10.224 4.286 1.750 1.00 1.00 C ATOM 903 CG TYR A 56 -11.185 3.148 1.477 1.00 1.00 C ATOM 904 CD1 TYR A 56 -11.054 2.385 0.314 1.00 1.00 C ATOM 905 CD2 TYR A 56 -12.205 2.859 2.392 1.00 1.00 C ATOM 906 CE1 TYR A 56 -11.941 1.334 0.062 1.00 1.00 C ATOM 907 CE2 TYR A 56 -13.093 1.807 2.141 1.00 1.00 C ATOM 908 CZ TYR A 56 -12.962 1.046 0.974 1.00 1.00 C ATOM 909 OH TYR A 56 -13.837 0.009 0.725 1.00 1.00 O ATOM 0 H TYR A 56 -10.383 2.621 3.540 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.328 3.258 1.728 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -10.706 5.043 2.369 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -9.942 4.771 0.815 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -10.267 2.607 -0.391 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -12.306 3.448 3.291 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -11.838 0.744 -0.837 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -13.879 1.583 2.847 1.00 1.00 H new ATOM 0 HH TYR A 56 -14.044 -0.453 1.564 1.00 1.00 H new ATOM 919 N GLU A 57 -8.659 5.272 4.308 1.00 1.00 N ATOM 920 CA GLU A 57 -8.012 6.362 5.030 1.00 1.00 C ATOM 921 C GLU A 57 -6.580 5.993 5.408 1.00 1.00 C ATOM 922 O GLU A 57 -5.638 6.732 5.125 1.00 1.00 O ATOM 923 CB GLU A 57 -8.814 6.683 6.299 1.00 1.00 C ATOM 924 CG GLU A 57 -10.209 7.190 5.917 1.00 1.00 C ATOM 925 CD GLU A 57 -10.113 8.574 5.279 1.00 1.00 C ATOM 926 OE1 GLU A 57 -9.040 9.154 5.318 1.00 1.00 O ATOM 927 OE2 GLU A 57 -11.119 9.038 4.769 1.00 1.00 O ATOM 0 H GLU A 57 -9.455 4.852 4.788 1.00 1.00 H new ATOM 0 HA GLU A 57 -7.981 7.237 4.380 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -8.899 5.792 6.922 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -8.292 7.436 6.889 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -10.679 6.494 5.223 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -10.843 7.233 6.803 1.00 1.00 H new ATOM 934 N GLU A 58 -6.438 4.839 6.054 1.00 1.00 N ATOM 935 CA GLU A 58 -5.118 4.377 6.470 1.00 1.00 C ATOM 936 C GLU A 58 -4.279 4.010 5.257 1.00 1.00 C ATOM 937 O GLU A 58 -3.076 4.271 5.227 1.00 1.00 O ATOM 938 CB GLU A 58 -5.234 3.160 7.407 1.00 1.00 C ATOM 939 CG GLU A 58 -5.877 3.587 8.747 1.00 1.00 C ATOM 940 CD GLU A 58 -7.397 3.693 8.612 1.00 1.00 C ATOM 941 OE1 GLU A 58 -7.894 3.521 7.515 1.00 1.00 O ATOM 942 OE2 GLU A 58 -8.044 3.912 9.618 1.00 1.00 O ATOM 0 H GLU A 58 -7.208 4.215 6.298 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.632 5.190 7.010 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.836 2.383 6.936 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -4.247 2.733 7.587 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -5.626 2.863 9.523 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -5.468 4.547 9.062 1.00 1.00 H new ATOM 949 N ALA A 59 -4.912 3.402 4.258 1.00 1.00 N ATOM 950 CA ALA A 59 -4.195 2.995 3.060 1.00 1.00 C ATOM 951 C ALA A 59 -3.426 4.173 2.474 1.00 1.00 C ATOM 952 O ALA A 59 -2.299 4.016 2.003 1.00 1.00 O ATOM 953 CB ALA A 59 -5.180 2.438 2.037 1.00 1.00 C ATOM 0 H ALA A 59 -5.908 3.183 4.256 1.00 1.00 H new ATOM 0 HA ALA A 59 -3.478 2.217 3.322 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.640 2.134 1.140 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.695 1.576 2.460 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.909 3.206 1.779 1.00 1.00 H new ATOM 959 N VAL A 60 -4.041 5.351 2.509 1.00 1.00 N ATOM 960 CA VAL A 60 -3.400 6.552 1.993 1.00 1.00 C ATOM 961 C VAL A 60 -2.123 6.842 2.779 1.00 1.00 C ATOM 962 O VAL A 60 -1.150 7.355 2.226 1.00 1.00 O ATOM 963 CB VAL A 60 -4.376 7.745 2.066 1.00 1.00 C ATOM 964 CG1 VAL A 60 -3.628 9.079 1.863 1.00 1.00 C ATOM 965 CG2 VAL A 60 -5.439 7.598 0.970 1.00 1.00 C ATOM 0 H VAL A 60 -4.977 5.498 2.887 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.130 6.395 0.949 1.00 1.00 H new ATOM 0 HB VAL A 60 -4.844 7.750 3.051 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -4.336 9.905 1.919 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -2.873 9.195 2.641 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -3.145 9.080 0.886 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.130 8.439 1.019 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -4.955 7.582 -0.007 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -5.988 6.668 1.118 1.00 1.00 H new ATOM 975 N ASP A 61 -2.110 6.524 4.070 1.00 1.00 N ATOM 976 CA ASP A 61 -0.941 6.774 4.899 1.00 1.00 C ATOM 977 C ASP A 61 0.291 6.094 4.309 1.00 1.00 C ATOM 978 O ASP A 61 1.385 6.656 4.349 1.00 1.00 O ATOM 979 CB ASP A 61 -1.187 6.266 6.325 1.00 1.00 C ATOM 980 CG ASP A 61 -2.488 6.845 6.878 1.00 1.00 C ATOM 981 OD1 ASP A 61 -3.087 7.668 6.203 1.00 1.00 O ATOM 982 OD2 ASP A 61 -2.870 6.453 7.969 1.00 1.00 O ATOM 0 H ASP A 61 -2.894 6.094 4.561 1.00 1.00 H new ATOM 0 HA ASP A 61 -0.764 7.849 4.929 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -1.236 5.177 6.327 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -0.353 6.549 6.968 1.00 1.00 H new ATOM 987 N CYS A 62 0.102 4.896 3.767 1.00 1.00 N ATOM 988 CA CYS A 62 1.217 4.168 3.173 1.00 1.00 C ATOM 989 C CYS A 62 1.739 4.901 1.940 1.00 1.00 C ATOM 990 O CYS A 62 2.937 5.152 1.816 1.00 1.00 O ATOM 991 CB CYS A 62 0.778 2.756 2.782 1.00 1.00 C ATOM 992 SG CYS A 62 0.350 1.828 4.272 1.00 1.00 S ATOM 0 H CYS A 62 -0.796 4.415 3.726 1.00 1.00 H new ATOM 0 HA CYS A 62 2.016 4.105 3.912 1.00 1.00 H new ATOM 0 HB2 CYS A 62 -0.079 2.802 2.110 1.00 1.00 H new ATOM 0 HB3 CYS A 62 1.579 2.250 2.243 1.00 1.00 H new ATOM 0 HG CYS A 62 1.430 1.575 4.951 1.00 1.00 H new ATOM 998 N TYR A 63 0.828 5.240 1.033 1.00 1.00 N ATOM 999 CA TYR A 63 1.219 5.946 -0.183 1.00 1.00 C ATOM 1000 C TYR A 63 1.845 7.291 0.159 1.00 1.00 C ATOM 1001 O TYR A 63 2.877 7.663 -0.399 1.00 1.00 O ATOM 1002 CB TYR A 63 -0.006 6.156 -1.092 1.00 1.00 C ATOM 1003 CG TYR A 63 -0.723 4.835 -1.343 1.00 1.00 C ATOM 1004 CD1 TYR A 63 0.001 3.654 -1.586 1.00 1.00 C ATOM 1005 CD2 TYR A 63 -2.125 4.787 -1.330 1.00 1.00 C ATOM 1006 CE1 TYR A 63 -0.670 2.458 -1.811 1.00 1.00 C ATOM 1007 CE2 TYR A 63 -2.791 3.578 -1.555 1.00 1.00 C ATOM 1008 CZ TYR A 63 -2.063 2.414 -1.794 1.00 1.00 C ATOM 1009 OH TYR A 63 -2.717 1.221 -2.020 1.00 1.00 O ATOM 0 H TYR A 63 -0.169 5.042 1.113 1.00 1.00 H new ATOM 0 HA TYR A 63 1.956 5.341 -0.711 1.00 1.00 H new ATOM 0 HB2 TYR A 63 -0.692 6.865 -0.629 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.309 6.591 -2.041 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.081 3.677 -1.598 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -2.692 5.687 -1.145 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -0.108 1.556 -2.001 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -3.870 3.546 -1.544 1.00 1.00 H new ATOM 0 HH TYR A 63 -3.685 1.365 -1.972 1.00 1.00 H new ATOM 1019 N ASN A 64 1.221 8.019 1.080 1.00 1.00 N ATOM 1020 CA ASN A 64 1.745 9.320 1.472 1.00 1.00 C ATOM 1021 C ASN A 64 3.146 9.178 2.055 1.00 1.00 C ATOM 1022 O ASN A 64 4.016 10.002 1.775 1.00 1.00 O ATOM 1023 CB ASN A 64 0.812 9.963 2.500 1.00 1.00 C ATOM 1024 CG ASN A 64 -0.499 10.368 1.831 1.00 1.00 C ATOM 1025 OD1 ASN A 64 -1.367 10.956 2.474 1.00 1.00 O ATOM 1026 ND2 ASN A 64 -0.694 10.080 0.572 1.00 1.00 N ATOM 0 H ASN A 64 0.367 7.736 1.561 1.00 1.00 H new ATOM 0 HA ASN A 64 1.802 9.957 0.589 1.00 1.00 H new ATOM 0 HB2 ASN A 64 0.615 9.264 3.312 1.00 1.00 H new ATOM 0 HB3 ASN A 64 1.290 10.837 2.941 1.00 1.00 H new ATOM 0 HD21 ASN A 64 -1.569 10.343 0.118 1.00 1.00 H new ATOM 0 HD22 ASN A 64 0.029 9.592 0.043 1.00 1.00 H new ATOM 1033 N TYR A 65 3.331 8.131 2.853 1.00 1.00 N ATOM 1034 CA TYR A 65 4.634 7.891 3.459 1.00 1.00 C ATOM 1035 C TYR A 65 5.690 7.691 2.375 1.00 1.00 C ATOM 1036 O TYR A 65 6.781 8.258 2.454 1.00 1.00 O ATOM 1037 CB TYR A 65 4.569 6.654 4.361 1.00 1.00 C ATOM 1038 CG TYR A 65 5.944 6.348 4.919 1.00 1.00 C ATOM 1039 CD1 TYR A 65 6.872 5.650 4.134 1.00 1.00 C ATOM 1040 CD2 TYR A 65 6.292 6.758 6.213 1.00 1.00 C ATOM 1041 CE1 TYR A 65 8.143 5.363 4.639 1.00 1.00 C ATOM 1042 CE2 TYR A 65 7.565 6.470 6.719 1.00 1.00 C ATOM 1043 CZ TYR A 65 8.491 5.774 5.931 1.00 1.00 C ATOM 1044 OH TYR A 65 9.746 5.492 6.429 1.00 1.00 O ATOM 0 H TYR A 65 2.611 7.449 3.091 1.00 1.00 H new ATOM 0 HA TYR A 65 4.908 8.757 4.061 1.00 1.00 H new ATOM 0 HB2 TYR A 65 3.866 6.825 5.176 1.00 1.00 H new ATOM 0 HB3 TYR A 65 4.199 5.800 3.795 1.00 1.00 H new ATOM 0 HD1 TYR A 65 6.604 5.333 3.137 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.578 7.296 6.820 1.00 1.00 H new ATOM 0 HE1 TYR A 65 8.856 4.824 4.033 1.00 1.00 H new ATOM 0 HE2 TYR A 65 7.833 6.784 7.717 1.00 1.00 H new ATOM 0 HH TYR A 65 9.825 5.848 7.339 1.00 1.00 H new ATOM 1054 N VAL A 66 5.361 6.880 1.374 1.00 1.00 N ATOM 1055 CA VAL A 66 6.300 6.613 0.288 1.00 1.00 C ATOM 1056 C VAL A 66 6.552 7.881 -0.523 1.00 1.00 C ATOM 1057 O VAL A 66 7.694 8.187 -0.864 1.00 1.00 O ATOM 1058 CB VAL A 66 5.748 5.504 -0.619 1.00 1.00 C ATOM 1059 CG1 VAL A 66 6.648 5.324 -1.853 1.00 1.00 C ATOM 1060 CG2 VAL A 66 5.698 4.188 0.162 1.00 1.00 C ATOM 0 H VAL A 66 4.464 6.402 1.291 1.00 1.00 H new ATOM 0 HA VAL A 66 7.247 6.284 0.716 1.00 1.00 H new ATOM 0 HB VAL A 66 4.747 5.783 -0.947 1.00 1.00 H new ATOM 0 HG11 VAL A 66 6.244 4.534 -2.486 1.00 1.00 H new ATOM 0 HG12 VAL A 66 6.685 6.257 -2.415 1.00 1.00 H new ATOM 0 HG13 VAL A 66 7.654 5.053 -1.533 1.00 1.00 H new ATOM 0 HG21 VAL A 66 5.306 3.399 -0.480 1.00 1.00 H new ATOM 0 HG22 VAL A 66 6.702 3.922 0.492 1.00 1.00 H new ATOM 0 HG23 VAL A 66 5.050 4.305 1.030 1.00 1.00 H new ATOM 1070 N ILE A 67 5.492 8.617 -0.837 1.00 1.00 N ATOM 1071 CA ILE A 67 5.616 9.843 -1.614 1.00 1.00 C ATOM 1072 C ILE A 67 6.330 10.916 -0.795 1.00 1.00 C ATOM 1073 O ILE A 67 7.134 11.686 -1.318 1.00 1.00 O ATOM 1074 CB ILE A 67 4.226 10.318 -2.067 1.00 1.00 C ATOM 1075 CG1 ILE A 67 3.634 9.295 -3.055 1.00 1.00 C ATOM 1076 CG2 ILE A 67 4.329 11.684 -2.769 1.00 1.00 C ATOM 1077 CD1 ILE A 67 2.144 9.581 -3.252 1.00 1.00 C ATOM 0 H ILE A 67 4.537 8.385 -0.565 1.00 1.00 H new ATOM 0 HA ILE A 67 6.215 9.648 -2.504 1.00 1.00 H new ATOM 0 HB ILE A 67 3.585 10.412 -1.190 1.00 1.00 H new ATOM 0 HG12 ILE A 67 4.156 9.352 -4.010 1.00 1.00 H new ATOM 0 HG13 ILE A 67 3.774 8.283 -2.675 1.00 1.00 H new ATOM 0 HG21 ILE A 67 3.337 12.007 -3.084 1.00 1.00 H new ATOM 0 HG22 ILE A 67 4.747 12.417 -2.079 1.00 1.00 H new ATOM 0 HG23 ILE A 67 4.976 11.597 -3.642 1.00 1.00 H new ATOM 0 HD11 ILE A 67 1.724 8.858 -3.951 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.629 9.502 -2.295 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.016 10.587 -3.651 1.00 1.00 H new ATOM 1089 N ASN A 68 6.029 10.970 0.498 1.00 1.00 N ATOM 1090 CA ASN A 68 6.635 11.959 1.381 1.00 1.00 C ATOM 1091 C ASN A 68 8.077 11.599 1.701 1.00 1.00 C ATOM 1092 O ASN A 68 9.000 12.282 1.256 1.00 1.00 O ATOM 1093 CB ASN A 68 5.818 12.047 2.676 1.00 1.00 C ATOM 1094 CG ASN A 68 4.418 12.571 2.365 1.00 1.00 C ATOM 1095 OD1 ASN A 68 3.445 12.166 3.003 1.00 1.00 O ATOM 1096 ND2 ASN A 68 4.257 13.453 1.415 1.00 1.00 N ATOM 0 H ASN A 68 5.370 10.341 0.957 1.00 1.00 H new ATOM 0 HA ASN A 68 6.635 12.925 0.875 1.00 1.00 H new ATOM 0 HB2 ASN A 68 5.754 11.065 3.145 1.00 1.00 H new ATOM 0 HB3 ASN A 68 6.315 12.707 3.387 1.00 1.00 H new ATOM 0 HD21 ASN A 68 3.325 13.807 1.201 1.00 1.00 H new ATOM 0 HD22 ASN A 68 5.063 13.787 0.888 1.00 1.00 H new ATOM 1103 N VAL A 69 8.240 10.528 2.473 1.00 1.00 N ATOM 1104 CA VAL A 69 9.580 10.090 2.850 1.00 1.00 C ATOM 1105 C VAL A 69 10.484 10.013 1.627 1.00 1.00 C ATOM 1106 O VAL A 69 11.610 10.511 1.652 1.00 1.00 O ATOM 1107 CB VAL A 69 9.511 8.712 3.520 1.00 1.00 C ATOM 1108 CG1 VAL A 69 10.940 8.227 3.852 1.00 1.00 C ATOM 1109 CG2 VAL A 69 8.640 8.797 4.814 1.00 1.00 C ATOM 0 H VAL A 69 7.479 9.958 2.843 1.00 1.00 H new ATOM 0 HA VAL A 69 9.994 10.816 3.549 1.00 1.00 H new ATOM 0 HB VAL A 69 9.049 7.996 2.840 1.00 1.00 H new ATOM 0 HG11 VAL A 69 10.890 7.248 4.328 1.00 1.00 H new ATOM 0 HG12 VAL A 69 11.522 8.155 2.933 1.00 1.00 H new ATOM 0 HG13 VAL A 69 11.417 8.936 4.529 1.00 1.00 H new ATOM 0 HG21 VAL A 69 8.594 7.816 5.287 1.00 1.00 H new ATOM 0 HG22 VAL A 69 9.085 9.512 5.506 1.00 1.00 H new ATOM 0 HG23 VAL A 69 7.633 9.122 4.554 1.00 1.00 H new ATOM 1119 N ILE A 70 9.999 9.402 0.552 1.00 1.00 N ATOM 1120 CA ILE A 70 10.773 9.273 -0.682 1.00 1.00 C ATOM 1121 C ILE A 70 10.240 10.246 -1.725 1.00 1.00 C ATOM 1122 O ILE A 70 9.094 10.160 -2.166 1.00 1.00 O ATOM 1123 CB ILE A 70 10.678 7.835 -1.218 1.00 1.00 C ATOM 1124 CG1 ILE A 70 11.012 6.845 -0.095 1.00 1.00 C ATOM 1125 CG2 ILE A 70 11.665 7.645 -2.372 1.00 1.00 C ATOM 1126 CD1 ILE A 70 10.903 5.408 -0.623 1.00 1.00 C ATOM 0 H ILE A 70 9.069 8.986 0.508 1.00 1.00 H new ATOM 0 HA ILE A 70 11.817 9.504 -0.471 1.00 1.00 H new ATOM 0 HB ILE A 70 9.665 7.653 -1.576 1.00 1.00 H new ATOM 0 HG12 ILE A 70 12.019 7.030 0.278 1.00 1.00 H new ATOM 0 HG13 ILE A 70 10.330 6.987 0.743 1.00 1.00 H new ATOM 0 HG21 ILE A 70 11.593 6.624 -2.748 1.00 1.00 H new ATOM 0 HG22 ILE A 70 11.427 8.344 -3.173 1.00 1.00 H new ATOM 0 HG23 ILE A 70 12.679 7.831 -2.018 1.00 1.00 H new ATOM 0 HD11 ILE A 70 11.141 4.707 0.177 1.00 1.00 H new ATOM 0 HD12 ILE A 70 9.888 5.226 -0.975 1.00 1.00 H new ATOM 0 HD13 ILE A 70 11.603 5.269 -1.447 1.00 1.00 H new ATOM 1138 N GLU A 71 11.075 11.193 -2.141 1.00 1.00 N ATOM 1139 CA GLU A 71 10.696 12.180 -3.143 1.00 1.00 C ATOM 1140 C GLU A 71 10.534 11.521 -4.508 1.00 1.00 C ATOM 1141 O GLU A 71 10.692 12.165 -5.545 1.00 1.00 O ATOM 1142 CB GLU A 71 11.763 13.281 -3.219 1.00 1.00 C ATOM 1143 CG GLU A 71 13.130 12.664 -3.548 1.00 1.00 C ATOM 1144 CD GLU A 71 14.196 13.754 -3.603 1.00 1.00 C ATOM 1145 OE1 GLU A 71 13.876 14.851 -4.027 1.00 1.00 O ATOM 1146 OE2 GLU A 71 15.322 13.477 -3.212 1.00 1.00 O ATOM 0 H GLU A 71 12.029 11.297 -1.794 1.00 1.00 H new ATOM 0 HA GLU A 71 9.742 12.621 -2.854 1.00 1.00 H new ATOM 0 HB2 GLU A 71 11.491 14.011 -3.982 1.00 1.00 H new ATOM 0 HB3 GLU A 71 11.815 13.815 -2.270 1.00 1.00 H new ATOM 0 HG2 GLU A 71 13.395 11.923 -2.794 1.00 1.00 H new ATOM 0 HG3 GLU A 71 13.082 12.142 -4.504 1.00 1.00 H new ATOM 1153 N ASP A 72 10.218 10.231 -4.529 1.00 1.00 N ATOM 1154 CA ASP A 72 10.049 9.498 -5.776 1.00 1.00 C ATOM 1155 C ASP A 72 9.073 10.219 -6.690 1.00 1.00 C ATOM 1156 O ASP A 72 9.383 10.504 -7.846 1.00 1.00 O ATOM 1157 CB ASP A 72 9.525 8.086 -5.471 1.00 1.00 C ATOM 1158 CG ASP A 72 9.262 7.320 -6.764 1.00 1.00 C ATOM 1159 OD1 ASP A 72 8.332 7.681 -7.467 1.00 1.00 O ATOM 1160 OD2 ASP A 72 9.994 6.381 -7.033 1.00 1.00 O ATOM 0 H ASP A 72 10.073 9.669 -3.690 1.00 1.00 H new ATOM 0 HA ASP A 72 11.013 9.432 -6.280 1.00 1.00 H new ATOM 0 HB2 ASP A 72 10.251 7.546 -4.863 1.00 1.00 H new ATOM 0 HB3 ASP A 72 8.607 8.151 -4.887 1.00 1.00 H new ATOM 1165 N GLU A 73 7.885 10.522 -6.175 1.00 1.00 N ATOM 1166 CA GLU A 73 6.840 11.216 -6.941 1.00 1.00 C ATOM 1167 C GLU A 73 6.935 10.878 -8.430 1.00 1.00 C ATOM 1168 O GLU A 73 6.937 11.761 -9.288 1.00 1.00 O ATOM 1169 CB GLU A 73 6.961 12.733 -6.735 1.00 1.00 C ATOM 1170 CG GLU A 73 5.707 13.450 -7.264 1.00 1.00 C ATOM 1171 CD GLU A 73 5.717 14.911 -6.838 1.00 1.00 C ATOM 1172 OE1 GLU A 73 6.743 15.363 -6.361 1.00 1.00 O ATOM 1173 OE2 GLU A 73 4.693 15.555 -6.994 1.00 1.00 O ATOM 0 H GLU A 73 7.614 10.296 -5.218 1.00 1.00 H new ATOM 0 HA GLU A 73 5.869 10.880 -6.578 1.00 1.00 H new ATOM 0 HB2 GLU A 73 7.093 12.953 -5.676 1.00 1.00 H new ATOM 0 HB3 GLU A 73 7.846 13.107 -7.251 1.00 1.00 H new ATOM 0 HG2 GLU A 73 5.671 13.381 -8.351 1.00 1.00 H new ATOM 0 HG3 GLU A 73 4.811 12.959 -6.884 1.00 1.00 H new ATOM 1180 N TYR A 74 7.021 9.584 -8.723 1.00 1.00 N ATOM 1181 CA TYR A 74 7.128 9.132 -10.099 1.00 1.00 C ATOM 1182 C TYR A 74 6.828 7.642 -10.192 1.00 1.00 C ATOM 1183 O TYR A 74 7.250 6.977 -11.137 1.00 1.00 O ATOM 1184 CB TYR A 74 8.542 9.391 -10.619 1.00 1.00 C ATOM 1185 CG TYR A 74 8.590 9.077 -12.100 1.00 1.00 C ATOM 1186 CD1 TYR A 74 7.945 9.928 -13.005 1.00 1.00 C ATOM 1187 CD2 TYR A 74 9.267 7.943 -12.567 1.00 1.00 C ATOM 1188 CE1 TYR A 74 7.977 9.646 -14.374 1.00 1.00 C ATOM 1189 CE2 TYR A 74 9.299 7.662 -13.934 1.00 1.00 C ATOM 1190 CZ TYR A 74 8.655 8.513 -14.840 1.00 1.00 C ATOM 1191 OH TYR A 74 8.687 8.233 -16.191 1.00 1.00 O ATOM 0 H TYR A 74 7.018 8.837 -8.028 1.00 1.00 H new ATOM 0 HA TYR A 74 6.405 9.682 -10.702 1.00 1.00 H new ATOM 0 HB2 TYR A 74 8.822 10.430 -10.446 1.00 1.00 H new ATOM 0 HB3 TYR A 74 9.260 8.773 -10.080 1.00 1.00 H new ATOM 0 HD1 TYR A 74 7.423 10.802 -12.646 1.00 1.00 H new ATOM 0 HD2 TYR A 74 9.764 7.286 -11.869 1.00 1.00 H new ATOM 0 HE1 TYR A 74 7.479 10.302 -15.072 1.00 1.00 H new ATOM 0 HE2 TYR A 74 9.821 6.787 -14.293 1.00 1.00 H new ATOM 0 HH TYR A 74 9.200 7.412 -16.343 1.00 1.00 H new ATOM 1201 N ASN A 75 6.095 7.122 -9.211 1.00 1.00 N ATOM 1202 CA ASN A 75 5.744 5.699 -9.194 1.00 1.00 C ATOM 1203 C ASN A 75 4.304 5.516 -9.671 1.00 1.00 C ATOM 1204 O ASN A 75 3.335 5.811 -8.969 1.00 1.00 O ATOM 1205 CB ASN A 75 5.919 5.144 -7.771 1.00 1.00 C ATOM 1206 CG ASN A 75 7.400 5.034 -7.409 1.00 1.00 C ATOM 1207 OD1 ASN A 75 8.262 5.004 -8.288 1.00 1.00 O ATOM 1208 ND2 ASN A 75 7.748 4.974 -6.148 1.00 1.00 N ATOM 0 H ASN A 75 5.733 7.657 -8.422 1.00 1.00 H new ATOM 0 HA ASN A 75 6.403 5.151 -9.867 1.00 1.00 H new ATOM 0 HB2 ASN A 75 5.413 5.794 -7.057 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.448 4.164 -7.698 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.733 4.902 -5.894 1.00 1.00 H new ATOM 0 HD22 ASN A 75 7.034 4.999 -5.420 1.00 1.00 H new ATOM 1215 N LYS A 76 4.157 5.011 -10.892 1.00 1.00 N ATOM 1216 CA LYS A 76 2.838 4.779 -11.480 1.00 1.00 C ATOM 1217 C LYS A 76 2.051 3.767 -10.651 1.00 1.00 C ATOM 1218 O LYS A 76 0.837 3.890 -10.491 1.00 1.00 O ATOM 1219 CB LYS A 76 2.999 4.260 -12.916 1.00 1.00 C ATOM 1220 CG LYS A 76 3.579 5.370 -13.804 1.00 1.00 C ATOM 1221 CD LYS A 76 3.811 4.830 -15.218 1.00 1.00 C ATOM 1222 CE LYS A 76 4.275 5.965 -16.137 1.00 1.00 C ATOM 1223 NZ LYS A 76 5.615 6.447 -15.698 1.00 1.00 N ATOM 0 H LYS A 76 4.937 4.753 -11.497 1.00 1.00 H new ATOM 0 HA LYS A 76 2.289 5.721 -11.491 1.00 1.00 H new ATOM 0 HB2 LYS A 76 3.656 3.391 -12.927 1.00 1.00 H new ATOM 0 HB3 LYS A 76 2.034 3.935 -13.306 1.00 1.00 H new ATOM 0 HG2 LYS A 76 2.895 6.218 -13.836 1.00 1.00 H new ATOM 0 HG3 LYS A 76 4.517 5.732 -13.384 1.00 1.00 H new ATOM 0 HD2 LYS A 76 4.560 4.038 -15.196 1.00 1.00 H new ATOM 0 HD3 LYS A 76 2.892 4.389 -15.604 1.00 1.00 H new ATOM 0 HE2 LYS A 76 4.323 5.615 -17.168 1.00 1.00 H new ATOM 0 HE3 LYS A 76 3.556 6.784 -16.112 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 6.040 7.026 -16.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 5.513 7.021 -14.837 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 6.229 5.632 -15.500 1.00 1.00 H new ATOM 1237 N ASP A 77 2.756 2.768 -10.128 1.00 1.00 N ATOM 1238 CA ASP A 77 2.107 1.738 -9.319 1.00 1.00 C ATOM 1239 C ASP A 77 1.502 2.347 -8.055 1.00 1.00 C ATOM 1240 O ASP A 77 0.363 2.047 -7.699 1.00 1.00 O ATOM 1241 CB ASP A 77 3.134 0.669 -8.932 1.00 1.00 C ATOM 1242 CG ASP A 77 3.531 -0.153 -10.156 1.00 1.00 C ATOM 1243 OD1 ASP A 77 2.840 -0.067 -11.156 1.00 1.00 O ATOM 1244 OD2 ASP A 77 4.523 -0.859 -10.070 1.00 1.00 O ATOM 0 H ASP A 77 3.762 2.649 -10.246 1.00 1.00 H new ATOM 0 HA ASP A 77 1.307 1.286 -9.905 1.00 1.00 H new ATOM 0 HB2 ASP A 77 4.017 1.142 -8.501 1.00 1.00 H new ATOM 0 HB3 ASP A 77 2.717 0.015 -8.166 1.00 1.00 H new ATOM 1249 N VAL A 78 2.270 3.200 -7.385 1.00 1.00 N ATOM 1250 CA VAL A 78 1.795 3.838 -6.162 1.00 1.00 C ATOM 1251 C VAL A 78 0.625 4.772 -6.469 1.00 1.00 C ATOM 1252 O VAL A 78 -0.387 4.758 -5.770 1.00 1.00 O ATOM 1253 CB VAL A 78 2.941 4.622 -5.493 1.00 1.00 C ATOM 1254 CG1 VAL A 78 2.428 5.352 -4.242 1.00 1.00 C ATOM 1255 CG2 VAL A 78 4.076 3.657 -5.077 1.00 1.00 C ATOM 0 H VAL A 78 3.215 3.464 -7.664 1.00 1.00 H new ATOM 0 HA VAL A 78 1.451 3.064 -5.476 1.00 1.00 H new ATOM 0 HB VAL A 78 3.321 5.349 -6.211 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.248 5.902 -3.780 1.00 1.00 H new ATOM 0 HG12 VAL A 78 1.639 6.048 -4.525 1.00 1.00 H new ATOM 0 HG13 VAL A 78 2.033 4.625 -3.533 1.00 1.00 H new ATOM 0 HG21 VAL A 78 4.880 4.222 -4.606 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.688 2.921 -4.372 1.00 1.00 H new ATOM 0 HG23 VAL A 78 4.461 3.146 -5.960 1.00 1.00 H new ATOM 1265 N TRP A 79 0.763 5.585 -7.511 1.00 1.00 N ATOM 1266 CA TRP A 79 -0.288 6.523 -7.889 1.00 1.00 C ATOM 1267 C TRP A 79 -1.572 5.772 -8.214 1.00 1.00 C ATOM 1268 O TRP A 79 -2.647 6.124 -7.728 1.00 1.00 O ATOM 1269 CB TRP A 79 0.162 7.352 -9.103 1.00 1.00 C ATOM 1270 CG TRP A 79 1.282 8.287 -8.729 1.00 1.00 C ATOM 1271 CD1 TRP A 79 1.980 8.280 -7.560 1.00 1.00 C ATOM 1272 CD2 TRP A 79 1.844 9.371 -9.522 1.00 1.00 C ATOM 1273 NE1 TRP A 79 2.923 9.283 -7.596 1.00 1.00 N ATOM 1274 CE2 TRP A 79 2.879 9.984 -8.783 1.00 1.00 C ATOM 1275 CE3 TRP A 79 1.556 9.876 -10.803 1.00 1.00 C ATOM 1276 CZ2 TRP A 79 3.600 11.058 -9.296 1.00 1.00 C ATOM 1277 CZ3 TRP A 79 2.280 10.959 -11.321 1.00 1.00 C ATOM 1278 CH2 TRP A 79 3.303 11.549 -10.570 1.00 1.00 C ATOM 0 H TRP A 79 1.590 5.614 -8.107 1.00 1.00 H new ATOM 0 HA TRP A 79 -0.479 7.195 -7.052 1.00 1.00 H new ATOM 0 HB2 TRP A 79 0.490 6.687 -9.902 1.00 1.00 H new ATOM 0 HB3 TRP A 79 -0.681 7.924 -9.490 1.00 1.00 H new ATOM 0 HD1 TRP A 79 1.820 7.598 -6.738 1.00 1.00 H new ATOM 0 HE1 TRP A 79 3.575 9.483 -6.837 1.00 1.00 H new ATOM 0 HE3 TRP A 79 0.771 9.426 -11.392 1.00 1.00 H new ATOM 0 HZ2 TRP A 79 4.387 11.511 -8.711 1.00 1.00 H new ATOM 0 HZ3 TRP A 79 2.047 11.340 -12.304 1.00 1.00 H new ATOM 0 HH2 TRP A 79 3.861 12.381 -10.974 1.00 1.00 H new ATOM 1289 N ALA A 80 -1.472 4.729 -9.031 1.00 1.00 N ATOM 1290 CA ALA A 80 -2.639 3.942 -9.399 1.00 1.00 C ATOM 1291 C ALA A 80 -3.308 3.358 -8.156 1.00 1.00 C ATOM 1292 O ALA A 80 -4.535 3.359 -8.052 1.00 1.00 O ATOM 1293 CB ALA A 80 -2.214 2.807 -10.333 1.00 1.00 C ATOM 0 H ALA A 80 -0.597 4.411 -9.449 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.353 4.591 -9.906 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -3.088 2.217 -10.609 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -1.760 3.226 -11.231 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -1.491 2.169 -9.825 1.00 1.00 H new ATOM 1299 N ALA A 81 -2.495 2.865 -7.229 1.00 1.00 N ATOM 1300 CA ALA A 81 -3.027 2.280 -6.000 1.00 1.00 C ATOM 1301 C ALA A 81 -3.774 3.327 -5.181 1.00 1.00 C ATOM 1302 O ALA A 81 -4.887 3.085 -4.710 1.00 1.00 O ATOM 1303 CB ALA A 81 -1.888 1.695 -5.162 1.00 1.00 C ATOM 0 H ALA A 81 -1.478 2.857 -7.301 1.00 1.00 H new ATOM 0 HA ALA A 81 -3.723 1.487 -6.274 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -2.294 1.261 -4.248 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -1.376 0.922 -5.734 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -1.182 2.485 -4.906 1.00 1.00 H new ATOM 1309 N LYS A 82 -3.157 4.492 -5.014 1.00 1.00 N ATOM 1310 CA LYS A 82 -3.769 5.573 -4.251 1.00 1.00 C ATOM 1311 C LYS A 82 -5.104 5.966 -4.873 1.00 1.00 C ATOM 1312 O LYS A 82 -6.087 6.171 -4.159 1.00 1.00 O ATOM 1313 CB LYS A 82 -2.817 6.781 -4.209 1.00 1.00 C ATOM 1314 CG LYS A 82 -3.402 7.898 -3.328 1.00 1.00 C ATOM 1315 CD LYS A 82 -2.407 9.064 -3.247 1.00 1.00 C ATOM 1316 CE LYS A 82 -2.984 10.184 -2.374 1.00 1.00 C ATOM 1317 NZ LYS A 82 -1.981 11.282 -2.244 1.00 1.00 N ATOM 0 H LYS A 82 -2.237 4.711 -5.395 1.00 1.00 H new ATOM 0 HA LYS A 82 -3.952 5.233 -3.232 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -1.847 6.473 -3.820 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -2.651 7.156 -5.219 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -4.349 8.243 -3.742 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -3.611 7.515 -2.329 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -1.461 8.718 -2.831 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -2.196 9.443 -4.247 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -3.903 10.568 -2.817 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -3.243 9.795 -1.389 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -2.373 12.042 -1.652 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -1.115 10.911 -1.803 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -1.755 11.659 -3.186 1.00 1.00 H new ATOM 1331 N ALA A 83 -5.145 6.070 -6.197 1.00 1.00 N ATOM 1332 CA ALA A 83 -6.380 6.442 -6.881 1.00 1.00 C ATOM 1333 C ALA A 83 -7.536 5.562 -6.420 1.00 1.00 C ATOM 1334 O ALA A 83 -8.588 6.071 -6.029 1.00 1.00 O ATOM 1335 CB ALA A 83 -6.199 6.291 -8.393 1.00 1.00 C ATOM 0 H ALA A 83 -4.349 5.904 -6.812 1.00 1.00 H new ATOM 0 HA ALA A 83 -6.609 7.480 -6.639 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -7.123 6.570 -8.900 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -5.391 6.940 -8.729 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -5.954 5.255 -8.628 1.00 1.00 H new ATOM 1341 N ASP A 84 -7.335 4.249 -6.465 1.00 1.00 N ATOM 1342 CA ASP A 84 -8.372 3.313 -6.042 1.00 1.00 C ATOM 1343 C ASP A 84 -8.902 3.695 -4.661 1.00 1.00 C ATOM 1344 O ASP A 84 -10.096 3.567 -4.390 1.00 1.00 O ATOM 1345 CB ASP A 84 -7.808 1.890 -6.001 1.00 1.00 C ATOM 1346 CG ASP A 84 -8.925 0.890 -5.712 1.00 1.00 C ATOM 1347 OD1 ASP A 84 -10.032 1.327 -5.438 1.00 1.00 O ATOM 1348 OD2 ASP A 84 -8.656 -0.299 -5.770 1.00 1.00 O ATOM 0 H ASP A 84 -6.472 3.811 -6.787 1.00 1.00 H new ATOM 0 HA ASP A 84 -9.191 3.356 -6.760 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -7.333 1.651 -6.953 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.037 1.818 -5.233 1.00 1.00 H new ATOM 1353 N ALA A 85 -8.014 4.166 -3.791 1.00 1.00 N ATOM 1354 CA ALA A 85 -8.415 4.564 -2.445 1.00 1.00 C ATOM 1355 C ALA A 85 -9.363 5.761 -2.496 1.00 1.00 C ATOM 1356 O ALA A 85 -10.363 5.813 -1.780 1.00 1.00 O ATOM 1357 CB ALA A 85 -7.170 4.917 -1.617 1.00 1.00 C ATOM 0 H ALA A 85 -7.020 4.281 -3.991 1.00 1.00 H new ATOM 0 HA ALA A 85 -8.938 3.730 -1.976 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -7.473 5.214 -0.613 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -6.515 4.048 -1.556 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -6.638 5.740 -2.093 1.00 1.00 H new ATOM 1363 N LEU A 86 -9.035 6.726 -3.349 1.00 1.00 N ATOM 1364 CA LEU A 86 -9.854 7.926 -3.501 1.00 1.00 C ATOM 1365 C LEU A 86 -11.145 7.600 -4.245 1.00 1.00 C ATOM 1366 O LEU A 86 -12.164 8.261 -4.051 1.00 1.00 O ATOM 1367 CB LEU A 86 -9.044 9.012 -4.254 1.00 1.00 C ATOM 1368 CG LEU A 86 -8.173 9.800 -3.257 1.00 1.00 C ATOM 1369 CD1 LEU A 86 -7.247 8.834 -2.514 1.00 1.00 C ATOM 1370 CD2 LEU A 86 -7.330 10.851 -3.994 1.00 1.00 C ATOM 0 H LEU A 86 -8.208 6.702 -3.946 1.00 1.00 H new ATOM 0 HA LEU A 86 -10.123 8.305 -2.515 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -8.414 8.548 -5.013 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -9.722 9.690 -4.773 1.00 1.00 H new ATOM 0 HG LEU A 86 -8.825 10.308 -2.546 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -6.631 9.391 -1.809 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -7.845 8.100 -1.973 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -6.605 8.322 -3.231 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -6.721 11.398 -3.275 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -6.681 10.356 -4.716 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -7.989 11.546 -4.515 1.00 1.00 H new ATOM 1382 N ARG A 87 -11.087 6.583 -5.099 1.00 1.00 N ATOM 1383 CA ARG A 87 -12.255 6.195 -5.871 1.00 1.00 C ATOM 1384 C ARG A 87 -13.338 5.626 -4.969 1.00 1.00 C ATOM 1385 O ARG A 87 -14.485 5.473 -5.389 1.00 1.00 O ATOM 1386 CB ARG A 87 -11.847 5.171 -6.930 1.00 1.00 C ATOM 1387 CG ARG A 87 -13.013 4.936 -7.902 1.00 1.00 C ATOM 1388 CD ARG A 87 -12.524 4.142 -9.110 1.00 1.00 C ATOM 1389 NE ARG A 87 -11.604 4.951 -9.898 1.00 1.00 N ATOM 1390 CZ ARG A 87 -10.984 4.450 -10.961 1.00 1.00 C ATOM 1391 NH1 ARG A 87 -11.196 3.213 -11.315 1.00 1.00 N ATOM 1392 NH2 ARG A 87 -10.163 5.196 -11.649 1.00 1.00 N ATOM 0 H ARG A 87 -10.253 6.021 -5.271 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.662 7.079 -6.362 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -10.973 5.527 -7.475 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -11.565 4.233 -6.452 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -13.815 4.395 -7.399 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.427 5.891 -8.226 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -12.027 3.230 -8.779 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -13.372 3.839 -9.724 1.00 1.00 H new ATOM 0 HE ARG A 87 -11.433 5.920 -9.629 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -11.837 2.631 -10.776 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -10.721 2.827 -12.131 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -9.998 6.163 -11.370 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -9.687 4.812 -12.465 1.00 1.00 H new ATOM 1406 N TYR A 88 -12.964 5.315 -3.731 1.00 1.00 N ATOM 1407 CA TYR A 88 -13.897 4.761 -2.751 1.00 1.00 C ATOM 1408 C TYR A 88 -13.666 5.377 -1.374 1.00 1.00 C ATOM 1409 O TYR A 88 -13.350 4.680 -0.411 1.00 1.00 O ATOM 1410 CB TYR A 88 -13.722 3.240 -2.684 1.00 1.00 C ATOM 1411 CG TYR A 88 -14.177 2.627 -3.994 1.00 1.00 C ATOM 1412 CD1 TYR A 88 -15.539 2.384 -4.206 1.00 1.00 C ATOM 1413 CD2 TYR A 88 -13.245 2.311 -4.994 1.00 1.00 C ATOM 1414 CE1 TYR A 88 -15.971 1.824 -5.414 1.00 1.00 C ATOM 1415 CE2 TYR A 88 -13.680 1.751 -6.202 1.00 1.00 C ATOM 1416 CZ TYR A 88 -15.042 1.506 -6.411 1.00 1.00 C ATOM 1417 OH TYR A 88 -15.470 0.954 -7.601 1.00 1.00 O ATOM 0 H TYR A 88 -12.014 5.438 -3.380 1.00 1.00 H new ATOM 0 HA TYR A 88 -14.915 4.997 -3.062 1.00 1.00 H new ATOM 0 HB2 TYR A 88 -12.678 2.990 -2.495 1.00 1.00 H new ATOM 0 HB3 TYR A 88 -14.302 2.831 -1.857 1.00 1.00 H new ATOM 0 HD1 TYR A 88 -16.257 2.629 -3.437 1.00 1.00 H new ATOM 0 HD2 TYR A 88 -12.194 2.499 -4.833 1.00 1.00 H new ATOM 0 HE1 TYR A 88 -17.022 1.637 -5.577 1.00 1.00 H new ATOM 0 HE2 TYR A 88 -12.964 1.508 -6.973 1.00 1.00 H new ATOM 0 HH TYR A 88 -14.699 0.795 -8.184 1.00 1.00 H new ATOM 1427 N ILE A 89 -13.825 6.693 -1.274 1.00 1.00 N ATOM 1428 CA ILE A 89 -13.641 7.425 -0.011 1.00 1.00 C ATOM 1429 C ILE A 89 -14.853 8.311 0.274 1.00 1.00 C ATOM 1430 O ILE A 89 -15.464 8.872 -0.637 1.00 1.00 O ATOM 1431 CB ILE A 89 -12.374 8.293 -0.085 1.00 1.00 C ATOM 1432 CG1 ILE A 89 -12.080 8.889 1.302 1.00 1.00 C ATOM 1433 CG2 ILE A 89 -12.567 9.435 -1.101 1.00 1.00 C ATOM 1434 CD1 ILE A 89 -10.688 9.522 1.306 1.00 1.00 C ATOM 0 H ILE A 89 -14.085 7.288 -2.061 1.00 1.00 H new ATOM 0 HA ILE A 89 -13.535 6.700 0.796 1.00 1.00 H new ATOM 0 HB ILE A 89 -11.538 7.671 -0.405 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -12.831 9.638 1.554 1.00 1.00 H new ATOM 0 HG13 ILE A 89 -12.138 8.111 2.063 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -11.662 10.041 -1.143 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -12.768 9.015 -2.086 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -13.407 10.058 -0.793 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -10.483 9.943 2.290 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -9.942 8.762 1.074 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -10.646 10.313 0.557 1.00 1.00 H new ATOM 1446 N GLU A 90 -15.202 8.440 1.549 1.00 1.00 N ATOM 1447 CA GLU A 90 -16.342 9.260 1.941 1.00 1.00 C ATOM 1448 C GLU A 90 -16.035 10.743 1.722 1.00 1.00 C ATOM 1449 O GLU A 90 -15.498 11.419 2.600 1.00 1.00 O ATOM 1450 CB GLU A 90 -16.675 8.998 3.417 1.00 1.00 C ATOM 1451 CG GLU A 90 -17.959 9.739 3.799 1.00 1.00 C ATOM 1452 CD GLU A 90 -18.324 9.448 5.252 1.00 1.00 C ATOM 1453 OE1 GLU A 90 -17.491 8.902 5.956 1.00 1.00 O ATOM 1454 OE2 GLU A 90 -19.434 9.779 5.639 1.00 1.00 O ATOM 0 H GLU A 90 -14.715 7.990 2.325 1.00 1.00 H new ATOM 0 HA GLU A 90 -17.201 8.995 1.325 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -16.797 7.928 3.587 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -15.851 9.329 4.049 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -17.824 10.811 3.658 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -18.774 9.431 3.143 1.00 1.00 H new ATOM 1505 N VAL A 94 -14.820 14.136 -7.239 1.00 1.00 N ATOM 1506 CA VAL A 94 -13.879 14.837 -8.100 1.00 1.00 C ATOM 1507 C VAL A 94 -12.447 14.426 -7.766 1.00 1.00 C ATOM 1508 O VAL A 94 -11.604 14.325 -8.658 1.00 1.00 O ATOM 1509 CB VAL A 94 -14.035 16.355 -7.921 1.00 1.00 C ATOM 1510 CG1 VAL A 94 -13.557 16.767 -6.517 1.00 1.00 C ATOM 1511 CG2 VAL A 94 -13.208 17.089 -8.983 1.00 1.00 C ATOM 0 HA VAL A 94 -14.091 14.572 -9.136 1.00 1.00 H new ATOM 0 HB VAL A 94 -15.086 16.622 -8.035 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -13.670 17.844 -6.396 1.00 1.00 H new ATOM 0 HG12 VAL A 94 -14.154 16.253 -5.764 1.00 1.00 H new ATOM 0 HG13 VAL A 94 -12.508 16.496 -6.396 1.00 1.00 H new ATOM 0 HG21 VAL A 94 -13.321 18.165 -8.853 1.00 1.00 H new ATOM 0 HG22 VAL A 94 -12.157 16.819 -8.877 1.00 1.00 H new ATOM 0 HG23 VAL A 94 -13.557 16.805 -9.976 1.00 1.00 H new ATOM 1521 N GLU A 95 -12.174 14.188 -6.487 1.00 1.00 N ATOM 1522 CA GLU A 95 -10.833 13.802 -6.057 1.00 1.00 C ATOM 1523 C GLU A 95 -10.329 12.618 -6.882 1.00 1.00 C ATOM 1524 O GLU A 95 -9.232 12.658 -7.440 1.00 1.00 O ATOM 1525 CB GLU A 95 -10.850 13.422 -4.569 1.00 1.00 C ATOM 1526 CG GLU A 95 -11.141 14.660 -3.711 1.00 1.00 C ATOM 1527 CD GLU A 95 -11.217 14.267 -2.235 1.00 1.00 C ATOM 1528 OE1 GLU A 95 -11.009 13.101 -1.939 1.00 1.00 O ATOM 1529 OE2 GLU A 95 -11.482 15.138 -1.422 1.00 1.00 O ATOM 0 H GLU A 95 -12.858 14.255 -5.734 1.00 1.00 H new ATOM 0 HA GLU A 95 -10.163 14.648 -6.207 1.00 1.00 H new ATOM 0 HB2 GLU A 95 -11.608 12.659 -4.389 1.00 1.00 H new ATOM 0 HB3 GLU A 95 -9.890 12.991 -4.285 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -10.360 15.406 -3.857 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -12.080 15.116 -4.023 1.00 1.00 H new ATOM 1536 N ALA A 96 -11.135 11.564 -6.960 1.00 1.00 N ATOM 1537 CA ALA A 96 -10.752 10.382 -7.723 1.00 1.00 C ATOM 1538 C ALA A 96 -10.397 10.759 -9.162 1.00 1.00 C ATOM 1539 O ALA A 96 -9.634 10.053 -9.825 1.00 1.00 O ATOM 1540 CB ALA A 96 -11.911 9.373 -7.731 1.00 1.00 C ATOM 0 H ALA A 96 -12.048 11.504 -6.509 1.00 1.00 H new ATOM 0 HA ALA A 96 -9.877 9.935 -7.251 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -11.621 8.491 -8.302 1.00 1.00 H new ATOM 0 HB2 ALA A 96 -12.147 9.081 -6.707 1.00 1.00 H new ATOM 0 HB3 ALA A 96 -12.788 9.830 -8.189 1.00 1.00 H new ATOM 1546 N GLU A 97 -10.954 11.869 -9.638 1.00 1.00 N ATOM 1547 CA GLU A 97 -10.686 12.302 -11.007 1.00 1.00 C ATOM 1548 C GLU A 97 -9.226 12.720 -11.167 1.00 1.00 C ATOM 1549 O GLU A 97 -8.535 12.281 -12.088 1.00 1.00 O ATOM 1550 CB GLU A 97 -11.607 13.492 -11.362 1.00 1.00 C ATOM 1551 CG GLU A 97 -11.723 13.644 -12.885 1.00 1.00 C ATOM 1552 CD GLU A 97 -12.562 12.511 -13.467 1.00 1.00 C ATOM 1553 OE1 GLU A 97 -13.152 11.775 -12.690 1.00 1.00 O ATOM 1554 OE2 GLU A 97 -12.600 12.390 -14.679 1.00 1.00 O ATOM 0 H GLU A 97 -11.581 12.475 -9.109 1.00 1.00 H new ATOM 0 HA GLU A 97 -10.884 11.468 -11.680 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -12.595 13.337 -10.929 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -11.210 14.410 -10.928 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -12.178 14.604 -13.128 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -10.730 13.639 -13.335 1.00 1.00 H new ATOM 1561 N ILE A 98 -8.754 13.570 -10.261 1.00 1.00 N ATOM 1562 CA ILE A 98 -7.375 14.037 -10.314 1.00 1.00 C ATOM 1563 C ILE A 98 -6.417 12.851 -10.247 1.00 1.00 C ATOM 1564 O ILE A 98 -5.446 12.792 -11.001 1.00 1.00 O ATOM 1565 CB ILE A 98 -7.105 15.007 -9.131 1.00 1.00 C ATOM 1566 CG1 ILE A 98 -7.675 16.397 -9.454 1.00 1.00 C ATOM 1567 CG2 ILE A 98 -5.593 15.136 -8.856 1.00 1.00 C ATOM 1568 CD1 ILE A 98 -9.179 16.305 -9.718 1.00 1.00 C ATOM 0 H ILE A 98 -9.302 13.947 -9.487 1.00 1.00 H new ATOM 0 HA ILE A 98 -7.213 14.565 -11.254 1.00 1.00 H new ATOM 0 HB ILE A 98 -7.592 14.601 -8.244 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -7.485 17.077 -8.624 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -7.170 16.811 -10.327 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -5.432 15.821 -8.023 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -5.184 14.157 -8.605 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -5.093 15.521 -9.745 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -9.570 17.297 -9.945 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -9.360 15.641 -10.563 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -9.680 15.912 -8.834 1.00 1.00 H new ATOM 1580 N ALA A 99 -6.691 11.910 -9.349 1.00 1.00 N ATOM 1581 CA ALA A 99 -5.828 10.748 -9.208 1.00 1.00 C ATOM 1582 C ALA A 99 -5.883 9.876 -10.457 1.00 1.00 C ATOM 1583 O ALA A 99 -4.844 9.499 -11.002 1.00 1.00 O ATOM 1584 CB ALA A 99 -6.256 9.942 -7.981 1.00 1.00 C ATOM 0 H ALA A 99 -7.492 11.930 -8.718 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.800 11.087 -9.079 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -5.610 9.071 -7.874 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -6.175 10.565 -7.090 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.289 9.615 -8.103 1.00 1.00 H new ATOM 1590 N GLU A 100 -7.102 9.568 -10.887 1.00 1.00 N ATOM 1591 CA GLU A 100 -7.280 8.736 -12.068 1.00 1.00 C ATOM 1592 C GLU A 100 -6.575 9.359 -13.271 1.00 1.00 C ATOM 1593 O GLU A 100 -5.871 8.667 -14.007 1.00 1.00 O ATOM 1594 CB GLU A 100 -8.770 8.581 -12.376 1.00 1.00 C ATOM 1595 CG GLU A 100 -8.963 7.571 -13.511 1.00 1.00 C ATOM 1596 CD GLU A 100 -10.450 7.348 -13.763 1.00 1.00 C ATOM 1597 OE1 GLU A 100 -11.241 8.142 -13.279 1.00 1.00 O ATOM 1598 OE2 GLU A 100 -10.779 6.389 -14.441 1.00 1.00 O ATOM 0 H GLU A 100 -7.967 9.876 -10.443 1.00 1.00 H new ATOM 0 HA GLU A 100 -6.845 7.757 -11.870 1.00 1.00 H new ATOM 0 HB2 GLU A 100 -9.302 8.247 -11.485 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -9.195 9.544 -12.658 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -8.483 7.936 -14.419 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -8.484 6.626 -13.254 1.00 1.00 H new ATOM 1605 N ALA A 101 -6.767 10.660 -13.463 1.00 1.00 N ATOM 1606 CA ALA A 101 -6.137 11.357 -14.581 1.00 1.00 C ATOM 1607 C ALA A 101 -4.630 11.488 -14.360 1.00 1.00 C ATOM 1608 O ALA A 101 -3.838 11.222 -15.262 1.00 1.00 O ATOM 1609 CB ALA A 101 -6.752 12.748 -14.744 1.00 1.00 C ATOM 0 H ALA A 101 -7.348 11.249 -12.866 1.00 1.00 H new ATOM 0 HA ALA A 101 -6.309 10.774 -15.486 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.276 13.261 -15.580 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.821 12.653 -14.937 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.598 13.323 -13.831 1.00 1.00 H new ATOM 1615 N ARG A 102 -4.241 11.899 -13.157 1.00 1.00 N ATOM 1616 CA ARG A 102 -2.822 12.061 -12.830 1.00 1.00 C ATOM 1617 C ARG A 102 -2.081 10.740 -12.989 1.00 1.00 C ATOM 1618 O ARG A 102 -0.961 10.702 -13.500 1.00 1.00 O ATOM 1619 CB ARG A 102 -2.667 12.577 -11.390 1.00 1.00 C ATOM 1620 CG ARG A 102 -1.184 12.801 -11.064 1.00 1.00 C ATOM 1621 CD ARG A 102 -1.051 13.492 -9.699 1.00 1.00 C ATOM 1622 NE ARG A 102 -1.547 12.618 -8.634 1.00 1.00 N ATOM 1623 CZ ARG A 102 -0.775 11.677 -8.099 1.00 1.00 C ATOM 1624 NH1 ARG A 102 0.447 11.518 -8.524 1.00 1.00 N ATOM 1625 NH2 ARG A 102 -1.239 10.917 -7.144 1.00 1.00 N ATOM 0 H ARG A 102 -4.880 12.125 -12.395 1.00 1.00 H new ATOM 0 HA ARG A 102 -2.391 12.788 -13.519 1.00 1.00 H new ATOM 0 HB2 ARG A 102 -3.218 13.509 -11.269 1.00 1.00 H new ATOM 0 HB3 ARG A 102 -3.096 11.860 -10.691 1.00 1.00 H new ATOM 0 HG2 ARG A 102 -0.657 11.847 -11.052 1.00 1.00 H new ATOM 0 HG3 ARG A 102 -0.720 13.412 -11.838 1.00 1.00 H new ATOM 0 HD2 ARG A 102 -0.007 13.746 -9.513 1.00 1.00 H new ATOM 0 HD3 ARG A 102 -1.611 14.427 -9.701 1.00 1.00 H new ATOM 0 HE ARG A 102 -2.503 12.733 -8.296 1.00 1.00 H new ATOM 0 HH11 ARG A 102 0.810 12.115 -9.267 1.00 1.00 H new ATOM 0 HH12 ARG A 102 1.040 10.796 -8.114 1.00 1.00 H new ATOM 0 HH21 ARG A 102 -2.194 11.045 -6.808 1.00 1.00 H new ATOM 0 HH22 ARG A 102 -0.647 10.195 -6.734 1.00 1.00 H new ATOM 1639 N ALA A 103 -2.696 9.646 -12.552 1.00 1.00 N ATOM 1640 CA ALA A 103 -2.070 8.335 -12.655 1.00 1.00 C ATOM 1641 C ALA A 103 -1.680 8.028 -14.095 1.00 1.00 C ATOM 1642 O ALA A 103 -0.559 7.596 -14.361 1.00 1.00 O ATOM 1643 CB ALA A 103 -3.038 7.265 -12.150 1.00 1.00 C ATOM 0 H ALA A 103 -3.622 9.642 -12.125 1.00 1.00 H new ATOM 0 HA ALA A 103 -1.166 8.337 -12.045 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -2.569 6.284 -12.227 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -3.291 7.465 -11.109 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -3.946 7.282 -12.753 1.00 1.00 H new ATOM 1649 N LYS A 104 -2.613 8.254 -15.016 1.00 1.00 N ATOM 1650 CA LYS A 104 -2.360 7.994 -16.433 1.00 1.00 C ATOM 1651 C LYS A 104 -1.563 9.133 -17.065 1.00 1.00 C ATOM 1652 O LYS A 104 -0.573 8.902 -17.760 1.00 1.00 O ATOM 1653 CB LYS A 104 -3.696 7.824 -17.160 1.00 1.00 C ATOM 1654 CG LYS A 104 -3.484 7.505 -18.653 1.00 1.00 C ATOM 1655 CD LYS A 104 -2.849 6.111 -18.823 1.00 1.00 C ATOM 1656 CE LYS A 104 -3.031 5.641 -20.262 1.00 1.00 C ATOM 1657 NZ LYS A 104 -2.332 4.341 -20.445 1.00 1.00 N ATOM 0 H LYS A 104 -3.545 8.614 -14.810 1.00 1.00 H new ATOM 0 HA LYS A 104 -1.771 7.081 -16.523 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -4.268 7.022 -16.692 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -4.285 8.736 -17.061 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -4.439 7.543 -19.178 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -2.842 8.261 -19.105 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -1.789 6.150 -18.573 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -3.312 5.402 -18.136 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -4.091 5.532 -20.490 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -2.631 6.383 -20.953 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -2.454 4.017 -21.426 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -1.319 4.460 -20.243 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -2.734 3.636 -19.795 1.00 1.00 H new ATOM 1671 N LEU A 105 -2.004 10.360 -16.809 1.00 1.00 N ATOM 1672 CA LEU A 105 -1.328 11.532 -17.360 1.00 1.00 C ATOM 1673 C LEU A 105 -1.152 11.382 -18.873 1.00 1.00 C ATOM 1674 O LEU A 105 -1.638 10.424 -19.475 1.00 1.00 O ATOM 1675 CB LEU A 105 0.059 11.695 -16.665 1.00 1.00 C ATOM 1676 CG LEU A 105 0.196 13.083 -16.010 1.00 1.00 C ATOM 1677 CD1 LEU A 105 1.429 13.091 -15.107 1.00 1.00 C ATOM 1678 CD2 LEU A 105 0.337 14.169 -17.092 1.00 1.00 C ATOM 0 H LEU A 105 -2.817 10.569 -16.230 1.00 1.00 H new ATOM 0 HA LEU A 105 -1.932 12.420 -17.175 1.00 1.00 H new ATOM 0 HB2 LEU A 105 0.183 10.920 -15.909 1.00 1.00 H new ATOM 0 HB3 LEU A 105 0.854 11.556 -17.398 1.00 1.00 H new ATOM 0 HG LEU A 105 -0.695 13.292 -15.419 1.00 1.00 H new ATOM 0 HD11 LEU A 105 1.532 14.071 -14.640 1.00 1.00 H new ATOM 0 HD12 LEU A 105 1.319 12.331 -14.334 1.00 1.00 H new ATOM 0 HD13 LEU A 105 2.317 12.878 -15.702 1.00 1.00 H new ATOM 0 HD21 LEU A 105 0.433 15.145 -16.617 1.00 1.00 H new ATOM 0 HD22 LEU A 105 1.223 13.970 -17.694 1.00 1.00 H new ATOM 0 HD23 LEU A 105 -0.545 14.162 -17.732 1.00 1.00 H new