USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 890 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 35 HIS : no HD1:sc= -7.38! C(o=-7.4!,f=-6.7!) USER MOD Set 1.2: A 122 GLN : amide:sc= -0.0283 K(o=-7.4,f=-6.7) USER MOD Set 1.3: A 124 TYR OH : rot 180:sc= -0.0288 USER MOD Set 2.1: A 117 TYR OH : rot -42:sc= 1.04 USER MOD Set 2.2: A 119 CYS SG : rot 51:sc= -1.49! USER MOD Set 3.1: A 56 ASN : amide:sc= -0.848 K(o=-0.71,f=0.99) USER MOD Set 3.2: A 61 LYS NZ :NH3+ -133:sc= 0.134 (180deg=-0.239) USER MOD Set 4.1: A 53 LYS NZ :NH3+ 150:sc= 0.46 (180deg=0.0774) USER MOD Set 4.2: A 94 THR OG1 : rot 179:sc= -0.334 USER MOD Set 5.1: A 40 ASN : amide:sc= -0.123 K(o=0.81,f=-5.4!) USER MOD Set 5.2: A 51 THR OG1 : rot -81:sc= 0.933 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0998 K(o=-0.1,f=-1.7!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.18) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 37 CYS SG : rot -116:sc= 0.89 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= -0.176 (180deg=-1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 62:sc= 0.0478 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -170:sc= -3.23 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.825 USER MOD Single : A 100 SER OG : rot 44:sc= 0.405 USER MOD Single : A 111 MET CE :methyl -110:sc= -0.302 (180deg=-4.31!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0343 USER MOD Single : A 120 ASN : amide:sc= -1.68 K(o=-1.7,f=-2.4) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 45:sc= 1.16 USER MOD Single : A 128 ASN : amide:sc= -8.05! C(o=-8.1!,f=-8.3!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -0.6 K(o=-0.6,f=-3.3!) USER MOD Single : A 133 TYR OH : rot 180:sc= -0.302 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.784 13.122 -12.352 1.00 0.00 N ATOM 118 CA SER A 12 -0.862 11.873 -11.603 1.00 0.00 C ATOM 119 C SER A 12 0.231 11.808 -10.541 1.00 0.00 C ATOM 120 O SER A 12 1.185 12.587 -10.566 1.00 0.00 O ATOM 121 CB SER A 12 -0.741 10.678 -12.550 1.00 0.00 C ATOM 122 OG SER A 12 -1.900 10.546 -13.356 1.00 0.00 O ATOM 0 HA SER A 12 -1.831 11.836 -11.105 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.136 10.801 -13.186 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.590 9.766 -11.972 1.00 0.00 H new ATOM 0 HG SER A 12 -1.797 9.776 -13.954 1.00 0.00 H new ATOM 128 N PHE A 13 0.085 10.873 -9.608 1.00 0.00 N ATOM 129 CA PHE A 13 1.059 10.705 -8.536 1.00 0.00 C ATOM 130 C PHE A 13 1.878 9.434 -8.739 1.00 0.00 C ATOM 131 O PHE A 13 1.684 8.706 -9.712 1.00 0.00 O ATOM 132 CB PHE A 13 0.352 10.659 -7.179 1.00 0.00 C ATOM 133 CG PHE A 13 -0.504 11.863 -6.908 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.702 12.043 -7.580 1.00 0.00 C ATOM 135 CD2 PHE A 13 -0.111 12.814 -5.980 1.00 0.00 C ATOM 136 CE1 PHE A 13 -2.491 13.151 -7.333 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.896 13.923 -5.728 1.00 0.00 C ATOM 138 CZ PHE A 13 -2.088 14.091 -6.405 1.00 0.00 C ATOM 0 H PHE A 13 -0.698 10.220 -9.573 1.00 0.00 H new ATOM 0 HA PHE A 13 1.736 11.559 -8.557 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.268 9.764 -7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.100 10.570 -6.391 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.023 11.310 -8.305 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.820 12.687 -5.447 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.422 13.281 -7.865 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.578 14.657 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.704 14.956 -6.209 1.00 0.00 H new ATOM 148 N VAL A 14 2.795 9.173 -7.812 1.00 0.00 N ATOM 149 CA VAL A 14 3.644 7.990 -7.887 1.00 0.00 C ATOM 150 C VAL A 14 3.883 7.396 -6.504 1.00 0.00 C ATOM 151 O VAL A 14 3.335 7.872 -5.509 1.00 0.00 O ATOM 152 CB VAL A 14 5.002 8.315 -8.536 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.860 8.426 -10.047 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.579 9.595 -7.952 1.00 0.00 C ATOM 0 H VAL A 14 2.969 9.765 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 14 3.119 7.262 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 14 5.692 7.500 -8.319 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.830 8.656 -10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.494 7.481 -10.448 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.154 9.221 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.539 9.809 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.892 10.421 -8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.720 9.474 -6.878 1.00 0.00 H new ATOM 164 N LEU A 15 4.704 6.354 -6.448 1.00 0.00 N ATOM 165 CA LEU A 15 5.017 5.693 -5.186 1.00 0.00 C ATOM 166 C LEU A 15 6.385 6.127 -4.669 1.00 0.00 C ATOM 167 O LEU A 15 7.395 5.981 -5.358 1.00 0.00 O ATOM 168 CB LEU A 15 4.984 4.174 -5.360 1.00 0.00 C ATOM 169 CG LEU A 15 3.746 3.605 -6.055 1.00 0.00 C ATOM 170 CD1 LEU A 15 4.096 2.335 -6.813 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.642 3.337 -5.042 1.00 0.00 C ATOM 0 H LEU A 15 5.165 5.948 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 15 4.263 5.985 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.865 3.874 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.067 3.714 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 15 3.384 4.342 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.203 1.945 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.853 2.557 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.484 1.591 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.769 2.933 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.994 2.618 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.372 4.268 -4.544 1.00 0.00 H new ATOM 183 N ASP A 16 6.411 6.659 -3.452 1.00 0.00 N ATOM 184 CA ASP A 16 7.655 7.111 -2.841 1.00 0.00 C ATOM 185 C ASP A 16 8.311 5.985 -2.046 1.00 0.00 C ATOM 186 O ASP A 16 8.979 6.229 -1.040 1.00 0.00 O ATOM 187 CB ASP A 16 7.394 8.311 -1.929 1.00 0.00 C ATOM 188 CG ASP A 16 8.583 9.249 -1.852 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.119 9.615 -2.918 1.00 0.00 O ATOM 190 OD2 ASP A 16 8.977 9.616 -0.725 1.00 0.00 O ATOM 0 H ASP A 16 5.584 6.788 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 16 8.334 7.412 -3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.526 8.859 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.149 7.956 -0.928 1.00 0.00 H new ATOM 195 N PHE A 17 8.114 4.753 -2.503 1.00 0.00 N ATOM 196 CA PHE A 17 8.684 3.590 -1.834 1.00 0.00 C ATOM 197 C PHE A 17 8.929 2.457 -2.826 1.00 0.00 C ATOM 198 O PHE A 17 8.436 2.488 -3.954 1.00 0.00 O ATOM 199 CB PHE A 17 7.756 3.112 -0.716 1.00 0.00 C ATOM 200 CG PHE A 17 6.337 2.902 -1.163 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.929 1.676 -1.665 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.412 3.930 -1.083 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.625 1.480 -2.077 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.106 3.739 -1.494 1.00 0.00 C ATOM 205 CZ PHE A 17 3.713 2.513 -1.992 1.00 0.00 C ATOM 0 H PHE A 17 7.564 4.534 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 17 9.641 3.884 -1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.142 2.178 -0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.769 3.842 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.639 0.865 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.715 4.892 -0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.319 0.520 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.394 4.548 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.693 2.362 -2.315 1.00 0.00 H new ATOM 215 N SER A 18 9.693 1.457 -2.398 1.00 0.00 N ATOM 216 CA SER A 18 10.007 0.316 -3.250 1.00 0.00 C ATOM 217 C SER A 18 9.005 -0.814 -3.035 1.00 0.00 C ATOM 218 O SER A 18 8.498 -1.006 -1.930 1.00 0.00 O ATOM 219 CB SER A 18 11.425 -0.184 -2.966 1.00 0.00 C ATOM 220 OG SER A 18 12.389 0.802 -3.294 1.00 0.00 O ATOM 0 H SER A 18 10.106 1.414 -1.466 1.00 0.00 H new ATOM 0 HA SER A 18 9.945 0.641 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.516 -0.450 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.617 -1.090 -3.541 1.00 0.00 H new ATOM 0 HG SER A 18 13.287 0.459 -3.102 1.00 0.00 H new ATOM 226 N GLN A 19 8.725 -1.558 -4.100 1.00 0.00 N ATOM 227 CA GLN A 19 7.783 -2.669 -4.029 1.00 0.00 C ATOM 228 C GLN A 19 8.252 -3.717 -3.026 1.00 0.00 C ATOM 229 O GLN A 19 9.434 -4.054 -2.950 1.00 0.00 O ATOM 230 CB GLN A 19 7.609 -3.307 -5.408 1.00 0.00 C ATOM 231 CG GLN A 19 7.381 -2.297 -6.522 1.00 0.00 C ATOM 232 CD GLN A 19 6.349 -1.249 -6.156 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.594 -0.049 -6.285 1.00 0.00 O ATOM 234 NE2 GLN A 19 5.187 -1.696 -5.695 1.00 0.00 N ATOM 0 H GLN A 19 9.137 -1.412 -5.022 1.00 0.00 H new ATOM 0 HA GLN A 19 6.823 -2.277 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.495 -3.898 -5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.766 -3.997 -5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.324 -1.805 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.058 -2.821 -7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.026 -2.699 -5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.455 -1.036 -5.432 1.00 0.00 H new ATOM 243 N PRO A 20 7.306 -4.247 -2.236 1.00 0.00 N ATOM 244 CA PRO A 20 7.598 -5.265 -1.223 1.00 0.00 C ATOM 245 C PRO A 20 7.972 -6.608 -1.842 1.00 0.00 C ATOM 246 O PRO A 20 8.969 -7.221 -1.461 1.00 0.00 O ATOM 247 CB PRO A 20 6.284 -5.381 -0.447 1.00 0.00 C ATOM 248 CG PRO A 20 5.235 -4.944 -1.410 1.00 0.00 C ATOM 249 CD PRO A 20 5.877 -3.892 -2.272 1.00 0.00 C ATOM 0 HA PRO A 20 8.452 -4.990 -0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.112 -6.404 -0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.292 -4.751 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.885 -5.782 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.367 -4.543 -0.886 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.484 -3.910 -3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.702 -2.890 -1.881 1.00 0.00 H new ATOM 257 N SER A 21 7.166 -7.058 -2.798 1.00 0.00 N ATOM 258 CA SER A 21 7.410 -8.330 -3.467 1.00 0.00 C ATOM 259 C SER A 21 8.885 -8.479 -3.829 1.00 0.00 C ATOM 260 O SER A 21 9.447 -9.571 -3.750 1.00 0.00 O ATOM 261 CB SER A 21 6.551 -8.441 -4.728 1.00 0.00 C ATOM 262 OG SER A 21 7.151 -7.759 -5.816 1.00 0.00 O ATOM 0 H SER A 21 6.338 -6.561 -3.127 1.00 0.00 H new ATOM 0 HA SER A 21 7.139 -9.131 -2.780 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.411 -9.491 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.562 -8.026 -4.536 1.00 0.00 H new ATOM 0 HG SER A 21 6.583 -7.847 -6.610 1.00 0.00 H new ATOM 268 N ALA A 22 9.505 -7.373 -4.226 1.00 0.00 N ATOM 269 CA ALA A 22 10.914 -7.379 -4.598 1.00 0.00 C ATOM 270 C ALA A 22 11.700 -8.379 -3.756 1.00 0.00 C ATOM 271 O ALA A 22 12.563 -9.093 -4.268 1.00 0.00 O ATOM 272 CB ALA A 22 11.505 -5.984 -4.452 1.00 0.00 C ATOM 0 H ALA A 22 9.054 -6.461 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 22 10.987 -7.685 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.558 -6.004 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.969 -5.292 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.412 -5.656 -3.417 1.00 0.00 H new ATOM 278 N ASP A 23 11.397 -8.424 -2.464 1.00 0.00 N ATOM 279 CA ASP A 23 12.075 -9.337 -1.551 1.00 0.00 C ATOM 280 C ASP A 23 11.140 -10.460 -1.112 1.00 0.00 C ATOM 281 O ASP A 23 10.351 -10.296 -0.181 1.00 0.00 O ATOM 282 CB ASP A 23 12.591 -8.578 -0.327 1.00 0.00 C ATOM 283 CG ASP A 23 13.485 -7.413 -0.703 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.544 -7.653 -1.321 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.126 -6.262 -0.380 1.00 0.00 O ATOM 0 H ASP A 23 10.686 -7.839 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 23 12.921 -9.778 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.744 -8.210 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.143 -9.263 0.316 1.00 0.00 H new ATOM 290 N TYR A 24 11.235 -11.599 -1.788 1.00 0.00 N ATOM 291 CA TYR A 24 10.395 -12.749 -1.470 1.00 0.00 C ATOM 292 C TYR A 24 10.525 -13.127 0.002 1.00 0.00 C ATOM 293 O TYR A 24 9.528 -13.373 0.682 1.00 0.00 O ATOM 294 CB TYR A 24 10.773 -13.941 -2.350 1.00 0.00 C ATOM 295 CG TYR A 24 9.828 -15.114 -2.218 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.586 -15.103 -2.840 1.00 0.00 C ATOM 297 CD2 TYR A 24 10.177 -16.233 -1.471 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.718 -16.172 -2.723 1.00 0.00 C ATOM 299 CE2 TYR A 24 9.316 -17.307 -1.349 1.00 0.00 C ATOM 300 CZ TYR A 24 8.088 -17.272 -1.976 1.00 0.00 C ATOM 301 OH TYR A 24 7.228 -18.339 -1.856 1.00 0.00 O ATOM 0 H TYR A 24 11.885 -11.751 -2.559 1.00 0.00 H new ATOM 0 HA TYR A 24 9.358 -12.476 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.797 -13.620 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.781 -14.266 -2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.294 -14.244 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.137 -16.264 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.756 -16.147 -3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.603 -18.169 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 24 7.641 -19.031 -1.298 1.00 0.00 H new ATOM 311 N LEU A 25 11.760 -13.171 0.489 1.00 0.00 N ATOM 312 CA LEU A 25 12.022 -13.518 1.881 1.00 0.00 C ATOM 313 C LEU A 25 11.509 -12.431 2.820 1.00 0.00 C ATOM 314 O LEU A 25 10.555 -12.643 3.568 1.00 0.00 O ATOM 315 CB LEU A 25 13.521 -13.731 2.100 1.00 0.00 C ATOM 316 CG LEU A 25 14.047 -15.139 1.819 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.322 -16.162 2.679 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.897 -15.479 0.343 1.00 0.00 C ATOM 0 H LEU A 25 12.596 -12.971 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 25 11.492 -14.444 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.064 -13.029 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.757 -13.476 3.133 1.00 0.00 H new ATOM 0 HG LEU A 25 15.107 -15.167 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.710 -17.158 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.480 -15.930 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.255 -16.133 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.276 -16.485 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.844 -15.432 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.463 -14.764 -0.254 1.00 0.00 H new ATOM 330 N ASP A 26 12.147 -11.267 2.772 1.00 0.00 N ATOM 331 CA ASP A 26 11.753 -10.144 3.616 1.00 0.00 C ATOM 332 C ASP A 26 10.240 -9.947 3.586 1.00 0.00 C ATOM 333 O ASP A 26 9.659 -9.386 4.515 1.00 0.00 O ATOM 334 CB ASP A 26 12.456 -8.865 3.161 1.00 0.00 C ATOM 335 CG ASP A 26 12.044 -7.655 3.977 1.00 0.00 C ATOM 336 OD1 ASP A 26 10.834 -7.349 4.013 1.00 0.00 O ATOM 337 OD2 ASP A 26 12.931 -7.015 4.579 1.00 0.00 O ATOM 0 H ASP A 26 12.939 -11.076 2.158 1.00 0.00 H new ATOM 0 HA ASP A 26 12.052 -10.368 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.535 -9.000 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.231 -8.684 2.110 1.00 0.00 H new ATOM 342 N PHE A 27 9.609 -10.410 2.512 1.00 0.00 N ATOM 343 CA PHE A 27 8.165 -10.282 2.360 1.00 0.00 C ATOM 344 C PHE A 27 7.438 -11.389 3.118 1.00 0.00 C ATOM 345 O PHE A 27 6.621 -11.120 3.999 1.00 0.00 O ATOM 346 CB PHE A 27 7.781 -10.326 0.880 1.00 0.00 C ATOM 347 CG PHE A 27 6.309 -10.517 0.647 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.736 -11.774 0.748 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.499 -9.439 0.328 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.382 -11.954 0.535 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.145 -9.612 0.114 1.00 0.00 C ATOM 352 CZ PHE A 27 3.586 -10.871 0.217 1.00 0.00 C ATOM 0 H PHE A 27 10.075 -10.877 1.734 1.00 0.00 H new ATOM 0 HA PHE A 27 7.865 -9.321 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.099 -9.399 0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.325 -11.137 0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.355 -12.624 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.931 -8.453 0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.948 -12.939 0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.524 -8.764 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.528 -11.008 0.049 1.00 0.00 H new ATOM 362 N ARG A 28 7.742 -12.635 2.769 1.00 0.00 N ATOM 363 CA ARG A 28 7.117 -13.784 3.414 1.00 0.00 C ATOM 364 C ARG A 28 7.220 -13.676 4.933 1.00 0.00 C ATOM 365 O ARG A 28 6.327 -14.113 5.658 1.00 0.00 O ATOM 366 CB ARG A 28 7.772 -15.082 2.938 1.00 0.00 C ATOM 367 CG ARG A 28 9.064 -15.415 3.666 1.00 0.00 C ATOM 368 CD ARG A 28 9.453 -16.872 3.472 1.00 0.00 C ATOM 369 NE ARG A 28 10.405 -17.324 4.484 1.00 0.00 N ATOM 370 CZ ARG A 28 10.553 -18.596 4.837 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.816 -19.537 4.264 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.440 -18.928 5.766 1.00 0.00 N ATOM 0 H ARG A 28 8.417 -12.875 2.043 1.00 0.00 H new ATOM 0 HA ARG A 28 6.063 -13.796 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.068 -15.904 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.976 -15.006 1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.865 -14.772 3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.948 -15.207 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.559 -17.494 3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.888 -17.002 2.481 1.00 0.00 H new ATOM 0 HE ARG A 28 10.988 -16.625 4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.133 -19.285 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.932 -20.513 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.008 -18.206 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.553 -19.905 6.037 1.00 0.00 H new ATOM 386 N ASN A 29 8.317 -13.093 5.407 1.00 0.00 N ATOM 387 CA ASN A 29 8.537 -12.930 6.839 1.00 0.00 C ATOM 388 C ASN A 29 7.408 -12.124 7.475 1.00 0.00 C ATOM 389 O ASN A 29 6.947 -12.441 8.571 1.00 0.00 O ATOM 390 CB ASN A 29 9.878 -12.239 7.094 1.00 0.00 C ATOM 391 CG ASN A 29 11.057 -13.171 6.891 1.00 0.00 C ATOM 392 OD1 ASN A 29 11.236 -14.135 7.636 1.00 0.00 O ATOM 393 ND2 ASN A 29 11.867 -12.888 5.878 1.00 0.00 N ATOM 0 H ASN A 29 9.066 -12.726 4.820 1.00 0.00 H new ATOM 0 HA ASN A 29 8.553 -13.920 7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.976 -11.383 6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.896 -11.851 8.113 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.676 -13.480 5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.680 -12.079 5.286 1.00 0.00 H new ATOM 400 N ARG A 30 6.968 -11.081 6.779 1.00 0.00 N ATOM 401 CA ARG A 30 5.894 -10.230 7.275 1.00 0.00 C ATOM 402 C ARG A 30 4.553 -10.955 7.215 1.00 0.00 C ATOM 403 O ARG A 30 3.719 -10.816 8.110 1.00 0.00 O ATOM 404 CB ARG A 30 5.823 -8.936 6.462 1.00 0.00 C ATOM 405 CG ARG A 30 7.170 -8.255 6.281 1.00 0.00 C ATOM 406 CD ARG A 30 7.775 -7.855 7.617 1.00 0.00 C ATOM 407 NE ARG A 30 6.919 -6.926 8.350 1.00 0.00 N ATOM 408 CZ ARG A 30 7.172 -6.513 9.587 1.00 0.00 C ATOM 409 NH1 ARG A 30 8.252 -6.944 10.225 1.00 0.00 N ATOM 410 NH2 ARG A 30 6.346 -5.666 10.187 1.00 0.00 N ATOM 0 H ARG A 30 7.339 -10.805 5.870 1.00 0.00 H new ATOM 0 HA ARG A 30 6.109 -9.986 8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.402 -9.156 5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.139 -8.245 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.851 -8.926 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.051 -7.371 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.942 -8.747 8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.749 -7.396 7.451 1.00 0.00 H new ATOM 0 HE ARG A 30 6.081 -6.575 7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.890 -7.594 9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.444 -6.626 11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.516 -5.331 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.541 -5.350 11.137 1.00 0.00 H new ATOM 424 N LEU A 31 4.352 -11.729 6.154 1.00 0.00 N ATOM 425 CA LEU A 31 3.112 -12.477 5.976 1.00 0.00 C ATOM 426 C LEU A 31 3.062 -13.680 6.912 1.00 0.00 C ATOM 427 O LEU A 31 2.031 -14.339 7.036 1.00 0.00 O ATOM 428 CB LEU A 31 2.977 -12.940 4.524 1.00 0.00 C ATOM 429 CG LEU A 31 1.638 -13.574 4.144 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.663 -12.511 3.661 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.837 -14.641 3.078 1.00 0.00 C ATOM 0 H LEU A 31 5.032 -11.855 5.404 1.00 0.00 H new ATOM 0 HA LEU A 31 2.280 -11.816 6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.148 -12.083 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.769 -13.660 4.318 1.00 0.00 H new ATOM 0 HG LEU A 31 1.217 -14.048 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.284 -12.980 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.497 -11.782 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.077 -12.008 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.874 -15.081 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.280 -14.190 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.500 -15.417 3.460 1.00 0.00 H new ATOM 443 N GLN A 32 4.183 -13.957 7.571 1.00 0.00 N ATOM 444 CA GLN A 32 4.266 -15.080 8.498 1.00 0.00 C ATOM 445 C GLN A 32 4.274 -14.593 9.943 1.00 0.00 C ATOM 446 O GLN A 32 3.721 -15.242 10.830 1.00 0.00 O ATOM 447 CB GLN A 32 5.522 -15.907 8.219 1.00 0.00 C ATOM 448 CG GLN A 32 5.793 -16.975 9.266 1.00 0.00 C ATOM 449 CD GLN A 32 7.173 -17.587 9.132 1.00 0.00 C ATOM 450 OE1 GLN A 32 7.902 -17.301 8.183 1.00 0.00 O ATOM 451 NE2 GLN A 32 7.539 -18.436 10.085 1.00 0.00 N ATOM 0 H GLN A 32 5.045 -13.420 7.480 1.00 0.00 H new ATOM 0 HA GLN A 32 3.387 -15.707 8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.424 -16.383 7.243 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.381 -15.239 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.688 -16.539 10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.042 -17.760 9.181 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.902 -18.644 10.854 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.457 -18.880 10.048 1.00 0.00 H new ATOM 460 N ALA A 33 4.905 -13.446 10.173 1.00 0.00 N ATOM 461 CA ALA A 33 4.984 -12.872 11.510 1.00 0.00 C ATOM 462 C ALA A 33 3.842 -11.891 11.754 1.00 0.00 C ATOM 463 O ALA A 33 3.388 -11.722 12.886 1.00 0.00 O ATOM 464 CB ALA A 33 6.326 -12.183 11.711 1.00 0.00 C ATOM 0 H ALA A 33 5.369 -12.896 9.450 1.00 0.00 H new ATOM 0 HA ALA A 33 4.893 -13.683 12.233 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.371 -11.759 12.714 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.130 -12.909 11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.440 -11.387 10.975 1.00 0.00 H new ATOM 470 N ASP A 34 3.383 -11.247 10.687 1.00 0.00 N ATOM 471 CA ASP A 34 2.293 -10.283 10.786 1.00 0.00 C ATOM 472 C ASP A 34 1.010 -10.850 10.185 1.00 0.00 C ATOM 473 O ASP A 34 -0.078 -10.317 10.404 1.00 0.00 O ATOM 474 CB ASP A 34 2.671 -8.981 10.078 1.00 0.00 C ATOM 475 CG ASP A 34 2.008 -7.769 10.703 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.995 -7.947 11.411 1.00 0.00 O ATOM 477 OD2 ASP A 34 2.501 -6.643 10.483 1.00 0.00 O ATOM 0 H ASP A 34 3.749 -11.375 9.743 1.00 0.00 H new ATOM 0 HA ASP A 34 2.117 -10.076 11.842 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.753 -8.855 10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.387 -9.046 9.028 1.00 0.00 H new ATOM 482 N HIS A 35 1.146 -11.933 9.427 1.00 0.00 N ATOM 483 CA HIS A 35 -0.002 -12.572 8.794 1.00 0.00 C ATOM 484 C HIS A 35 -0.638 -11.647 7.760 1.00 0.00 C ATOM 485 O HIS A 35 -1.841 -11.715 7.507 1.00 0.00 O ATOM 486 CB HIS A 35 -1.038 -12.966 9.848 1.00 0.00 C ATOM 487 CG HIS A 35 -0.456 -13.704 11.013 1.00 0.00 C ATOM 488 ND1 HIS A 35 -0.103 -15.036 10.960 1.00 0.00 N ATOM 489 CD2 HIS A 35 -0.163 -13.289 12.268 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.380 -15.409 12.132 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.355 -14.367 12.943 1.00 0.00 N ATOM 0 H HIS A 35 2.039 -12.386 9.236 1.00 0.00 H new ATOM 0 HA HIS A 35 0.348 -13.470 8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.536 -12.067 10.210 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.802 -13.587 9.380 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.309 -12.295 12.664 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.735 -16.398 12.384 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.669 -14.363 13.913 1.00 0.00 H new ATOM 499 N VAL A 36 0.178 -10.782 7.166 1.00 0.00 N ATOM 500 CA VAL A 36 -0.303 -9.843 6.160 1.00 0.00 C ATOM 501 C VAL A 36 0.848 -9.051 5.552 1.00 0.00 C ATOM 502 O VAL A 36 1.757 -8.615 6.259 1.00 0.00 O ATOM 503 CB VAL A 36 -1.330 -8.862 6.754 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.673 -7.965 7.793 1.00 0.00 C ATOM 505 CG2 VAL A 36 -1.974 -8.033 5.653 1.00 0.00 C ATOM 0 H VAL A 36 1.176 -10.712 7.364 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.785 -10.434 5.381 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.112 -9.438 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.414 -7.278 8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.264 -8.578 8.596 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.131 -7.395 7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.697 -7.345 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.206 -7.466 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.481 -8.693 4.950 1.00 0.00 H new ATOM 515 N CYS A 37 0.803 -8.868 4.237 1.00 0.00 N ATOM 516 CA CYS A 37 1.844 -8.127 3.532 1.00 0.00 C ATOM 517 C CYS A 37 1.391 -7.762 2.122 1.00 0.00 C ATOM 518 O CYS A 37 0.882 -8.606 1.383 1.00 0.00 O ATOM 519 CB CYS A 37 3.131 -8.950 3.470 1.00 0.00 C ATOM 520 SG CYS A 37 4.614 -7.975 3.123 1.00 0.00 S ATOM 0 H CYS A 37 0.058 -9.222 3.637 1.00 0.00 H new ATOM 0 HA CYS A 37 2.036 -7.206 4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.264 -9.469 4.419 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.024 -9.715 2.701 1.00 0.00 H new ATOM 0 HG CYS A 37 5.123 -8.349 1.987 1.00 0.00 H new ATOM 526 N LEU A 38 1.577 -6.499 1.755 1.00 0.00 N ATOM 527 CA LEU A 38 1.186 -6.020 0.434 1.00 0.00 C ATOM 528 C LEU A 38 2.079 -6.619 -0.648 1.00 0.00 C ATOM 529 O LEU A 38 3.304 -6.547 -0.565 1.00 0.00 O ATOM 530 CB LEU A 38 1.256 -4.493 0.381 1.00 0.00 C ATOM 531 CG LEU A 38 1.161 -3.864 -1.010 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.293 -3.666 -1.408 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.913 -2.542 -1.049 1.00 0.00 C ATOM 0 H LEU A 38 1.996 -5.788 2.354 1.00 0.00 H new ATOM 0 HA LEU A 38 0.159 -6.337 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.450 -4.091 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.194 -4.176 0.838 1.00 0.00 H new ATOM 0 HG LEU A 38 1.622 -4.542 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.341 -3.218 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.801 -4.630 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.781 -3.008 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.835 -2.108 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.481 -1.856 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.962 -2.713 -0.809 1.00 0.00 H new ATOM 545 N GLU A 39 1.456 -7.209 -1.664 1.00 0.00 N ATOM 546 CA GLU A 39 2.195 -7.819 -2.763 1.00 0.00 C ATOM 547 C GLU A 39 2.655 -6.761 -3.762 1.00 0.00 C ATOM 548 O GLU A 39 3.835 -6.418 -3.819 1.00 0.00 O ATOM 549 CB GLU A 39 1.330 -8.864 -3.471 1.00 0.00 C ATOM 550 CG GLU A 39 2.028 -9.543 -4.637 1.00 0.00 C ATOM 551 CD GLU A 39 1.059 -10.242 -5.570 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.257 -9.542 -6.224 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.102 -11.487 -5.647 1.00 0.00 O ATOM 0 H GLU A 39 0.442 -7.277 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 39 3.076 -8.309 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.027 -9.622 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.420 -8.386 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.595 -8.801 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.745 -10.269 -4.254 1.00 0.00 H new ATOM 560 N ASN A 40 1.713 -6.250 -4.549 1.00 0.00 N ATOM 561 CA ASN A 40 2.021 -5.232 -5.547 1.00 0.00 C ATOM 562 C ASN A 40 1.037 -4.070 -5.461 1.00 0.00 C ATOM 563 O ASN A 40 -0.148 -4.265 -5.187 1.00 0.00 O ATOM 564 CB ASN A 40 1.989 -5.839 -6.951 1.00 0.00 C ATOM 565 CG ASN A 40 0.590 -6.245 -7.373 1.00 0.00 C ATOM 566 OD1 ASN A 40 -0.034 -7.104 -6.749 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.091 -5.628 -8.438 1.00 0.00 N ATOM 0 H ASN A 40 0.731 -6.524 -4.515 1.00 0.00 H new ATOM 0 HA ASN A 40 3.022 -4.852 -5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.386 -5.117 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.642 -6.711 -6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.845 -5.860 -8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.644 -4.922 -8.924 1.00 0.00 H new ATOM 574 N CYS A 41 1.536 -2.861 -5.696 1.00 0.00 N ATOM 575 CA CYS A 41 0.701 -1.666 -5.644 1.00 0.00 C ATOM 576 C CYS A 41 1.042 -0.715 -6.787 1.00 0.00 C ATOM 577 O CYS A 41 2.166 -0.222 -6.883 1.00 0.00 O ATOM 578 CB CYS A 41 0.875 -0.955 -4.302 1.00 0.00 C ATOM 579 SG CYS A 41 0.046 0.649 -4.204 1.00 0.00 S ATOM 0 H CYS A 41 2.514 -2.683 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.339 -1.974 -5.750 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.493 -1.599 -3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.939 -0.814 -4.113 1.00 0.00 H new ATOM 0 HG CYS A 41 0.249 1.172 -3.031 1.00 0.00 H new ATOM 585 N VAL A 42 0.065 -0.463 -7.652 1.00 0.00 N ATOM 586 CA VAL A 42 0.262 0.429 -8.788 1.00 0.00 C ATOM 587 C VAL A 42 -0.559 1.705 -8.635 1.00 0.00 C ATOM 588 O VAL A 42 -1.503 1.757 -7.845 1.00 0.00 O ATOM 589 CB VAL A 42 -0.120 -0.257 -10.113 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.639 -1.566 -10.275 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.622 -0.491 -10.178 1.00 0.00 C ATOM 0 H VAL A 42 -0.871 -0.864 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 42 1.322 0.683 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 42 0.158 0.401 -10.936 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.356 -2.036 -11.217 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.711 -1.367 -10.276 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.394 -2.233 -9.448 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.874 -0.976 -11.121 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.927 -1.129 -9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.142 0.464 -10.111 1.00 0.00 H new ATOM 601 N LEU A 43 -0.194 2.732 -9.394 1.00 0.00 N ATOM 602 CA LEU A 43 -0.897 4.009 -9.343 1.00 0.00 C ATOM 603 C LEU A 43 -1.477 4.366 -10.708 1.00 0.00 C ATOM 604 O LEU A 43 -0.855 4.121 -11.743 1.00 0.00 O ATOM 605 CB LEU A 43 0.048 5.115 -8.873 1.00 0.00 C ATOM 606 CG LEU A 43 -0.595 6.259 -8.088 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.385 6.829 -7.075 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.081 7.348 -9.034 1.00 0.00 C ATOM 0 H LEU A 43 0.585 2.705 -10.052 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.719 3.915 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.822 4.664 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.546 5.535 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.455 5.864 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.091 7.642 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.684 6.046 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.265 7.208 -7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.536 8.154 -8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.237 7.739 -9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.819 6.931 -9.720 1.00 0.00 H new ATOM 620 N LYS A 44 -2.671 4.948 -10.704 1.00 0.00 N ATOM 621 CA LYS A 44 -3.335 5.343 -11.941 1.00 0.00 C ATOM 622 C LYS A 44 -3.915 6.748 -11.822 1.00 0.00 C ATOM 623 O LYS A 44 -3.718 7.428 -10.815 1.00 0.00 O ATOM 624 CB LYS A 44 -4.446 4.349 -12.288 1.00 0.00 C ATOM 625 CG LYS A 44 -3.966 2.911 -12.389 1.00 0.00 C ATOM 626 CD LYS A 44 -5.059 1.930 -12.000 1.00 0.00 C ATOM 627 CE LYS A 44 -6.161 1.879 -13.047 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.174 2.950 -12.838 1.00 0.00 N ATOM 0 H LYS A 44 -3.200 5.157 -9.857 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.592 5.342 -12.739 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.227 4.410 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.899 4.639 -13.236 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.638 2.707 -13.408 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.101 2.769 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.629 0.936 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.483 2.218 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.724 1.982 -14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.650 0.905 -13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.100 2.623 -13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.238 3.174 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.892 3.802 -13.364 1.00 0.00 H new ATOM 642 N ASP A 45 -4.631 7.177 -12.856 1.00 0.00 N ATOM 643 CA ASP A 45 -5.242 8.501 -12.866 1.00 0.00 C ATOM 644 C ASP A 45 -6.202 8.666 -11.693 1.00 0.00 C ATOM 645 O ASP A 45 -7.240 8.006 -11.628 1.00 0.00 O ATOM 646 CB ASP A 45 -5.982 8.734 -14.184 1.00 0.00 C ATOM 647 CG ASP A 45 -6.630 7.471 -14.716 1.00 0.00 C ATOM 648 OD1 ASP A 45 -7.192 6.705 -13.904 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.576 7.248 -15.943 1.00 0.00 O ATOM 0 H ASP A 45 -4.802 6.627 -13.698 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.448 9.241 -12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.746 9.497 -14.038 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.283 9.121 -14.926 1.00 0.00 H new ATOM 654 N LYS A 46 -5.849 9.549 -10.765 1.00 0.00 N ATOM 655 CA LYS A 46 -6.679 9.801 -9.593 1.00 0.00 C ATOM 656 C LYS A 46 -7.253 8.500 -9.043 1.00 0.00 C ATOM 657 O LYS A 46 -8.400 8.455 -8.599 1.00 0.00 O ATOM 658 CB LYS A 46 -7.815 10.764 -9.944 1.00 0.00 C ATOM 659 CG LYS A 46 -7.420 12.228 -9.856 1.00 0.00 C ATOM 660 CD LYS A 46 -8.639 13.136 -9.867 1.00 0.00 C ATOM 661 CE LYS A 46 -9.224 13.265 -11.265 1.00 0.00 C ATOM 662 NZ LYS A 46 -10.616 13.794 -11.237 1.00 0.00 N ATOM 0 H LYS A 46 -4.993 10.102 -10.802 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.052 10.254 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.162 10.550 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.655 10.582 -9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.847 12.397 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.769 12.481 -10.693 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.396 12.740 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.363 14.122 -9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.596 13.926 -11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.215 12.291 -11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.979 13.867 -12.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.221 13.150 -10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.621 14.735 -10.794 1.00 0.00 H new ATOM 676 N ALA A 47 -6.448 7.443 -9.073 1.00 0.00 N ATOM 677 CA ALA A 47 -6.875 6.142 -8.574 1.00 0.00 C ATOM 678 C ALA A 47 -5.681 5.223 -8.341 1.00 0.00 C ATOM 679 O ALA A 47 -4.598 5.449 -8.883 1.00 0.00 O ATOM 680 CB ALA A 47 -7.855 5.500 -9.545 1.00 0.00 C ATOM 0 H ALA A 47 -5.496 7.463 -9.438 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.374 6.295 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.166 4.529 -9.160 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.729 6.142 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.374 5.369 -10.514 1.00 0.00 H new ATOM 686 N ILE A 48 -5.884 4.189 -7.533 1.00 0.00 N ATOM 687 CA ILE A 48 -4.823 3.237 -7.229 1.00 0.00 C ATOM 688 C ILE A 48 -5.345 1.804 -7.258 1.00 0.00 C ATOM 689 O ILE A 48 -6.552 1.574 -7.326 1.00 0.00 O ATOM 690 CB ILE A 48 -4.195 3.514 -5.850 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.171 3.133 -4.735 1.00 0.00 C ATOM 692 CG2 ILE A 48 -3.796 4.978 -5.735 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.592 3.288 -3.346 1.00 0.00 C ATOM 0 H ILE A 48 -6.774 3.989 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.060 3.360 -7.998 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.298 2.903 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.065 3.751 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.485 2.099 -4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.354 5.159 -4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.070 5.219 -6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.678 5.606 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.339 3.000 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.715 2.649 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.304 4.327 -3.186 1.00 0.00 H new ATOM 705 N ALA A 49 -4.427 0.845 -7.206 1.00 0.00 N ATOM 706 CA ALA A 49 -4.795 -0.566 -7.222 1.00 0.00 C ATOM 707 C ALA A 49 -3.660 -1.435 -6.690 1.00 0.00 C ATOM 708 O ALA A 49 -2.510 -1.293 -7.103 1.00 0.00 O ATOM 709 CB ALA A 49 -5.175 -0.995 -8.632 1.00 0.00 C ATOM 0 H ALA A 49 -3.423 1.019 -7.152 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.657 -0.700 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.448 -2.050 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.022 -0.402 -8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.328 -0.840 -9.300 1.00 0.00 H new ATOM 715 N GLY A 50 -3.992 -2.335 -5.770 1.00 0.00 N ATOM 716 CA GLY A 50 -2.990 -3.213 -5.195 1.00 0.00 C ATOM 717 C GLY A 50 -3.597 -4.445 -4.554 1.00 0.00 C ATOM 718 O GLY A 50 -4.776 -4.452 -4.197 1.00 0.00 O ATOM 0 H GLY A 50 -4.937 -2.472 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.291 -3.519 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.416 -2.664 -4.448 1.00 0.00 H new ATOM 722 N THR A 51 -2.792 -5.493 -4.410 1.00 0.00 N ATOM 723 CA THR A 51 -3.257 -6.738 -3.811 1.00 0.00 C ATOM 724 C THR A 51 -2.521 -7.030 -2.508 1.00 0.00 C ATOM 725 O THR A 51 -1.291 -7.077 -2.475 1.00 0.00 O ATOM 726 CB THR A 51 -3.071 -7.928 -4.771 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.692 -8.048 -5.140 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.922 -7.754 -6.020 1.00 0.00 C ATOM 0 H THR A 51 -1.814 -5.504 -4.700 1.00 0.00 H new ATOM 0 HA THR A 51 -4.320 -6.611 -3.604 1.00 0.00 H new ATOM 0 HB THR A 51 -3.390 -8.835 -4.257 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.487 -7.407 -5.853 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.774 -8.607 -6.683 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.973 -7.692 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.629 -6.839 -6.535 1.00 0.00 H new ATOM 736 N VAL A 52 -3.281 -7.227 -1.436 1.00 0.00 N ATOM 737 CA VAL A 52 -2.700 -7.517 -0.130 1.00 0.00 C ATOM 738 C VAL A 52 -2.809 -9.001 0.203 1.00 0.00 C ATOM 739 O VAL A 52 -3.873 -9.604 0.062 1.00 0.00 O ATOM 740 CB VAL A 52 -3.385 -6.701 0.983 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.758 -7.009 2.334 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.308 -5.213 0.676 1.00 0.00 C ATOM 0 H VAL A 52 -4.300 -7.191 -1.446 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.648 -7.235 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.436 -6.986 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.255 -6.423 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.871 -8.071 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.699 -6.754 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.797 -4.651 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.263 -4.909 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.809 -5.010 -0.271 1.00 0.00 H new ATOM 752 N LYS A 53 -1.701 -9.585 0.645 1.00 0.00 N ATOM 753 CA LYS A 53 -1.670 -10.999 1.001 1.00 0.00 C ATOM 754 C LYS A 53 -1.878 -11.187 2.500 1.00 0.00 C ATOM 755 O LYS A 53 -1.507 -10.330 3.301 1.00 0.00 O ATOM 756 CB LYS A 53 -0.339 -11.623 0.577 1.00 0.00 C ATOM 757 CG LYS A 53 -0.443 -13.096 0.222 1.00 0.00 C ATOM 758 CD LYS A 53 -0.906 -13.292 -1.212 1.00 0.00 C ATOM 759 CE LYS A 53 0.221 -13.040 -2.201 1.00 0.00 C ATOM 760 NZ LYS A 53 -0.186 -13.355 -3.599 1.00 0.00 N ATOM 0 H LYS A 53 -0.811 -9.101 0.766 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.483 -11.499 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.051 -11.078 -0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.383 -11.503 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.527 -13.574 0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.140 -13.587 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.282 -14.307 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.735 -12.616 -1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.531 -11.997 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.085 -13.646 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.336 -12.743 -4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.029 -14.351 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.207 -13.191 -3.709 1.00 0.00 H new ATOM 774 N VAL A 54 -2.473 -12.316 2.873 1.00 0.00 N ATOM 775 CA VAL A 54 -2.727 -12.619 4.276 1.00 0.00 C ATOM 776 C VAL A 54 -2.659 -14.120 4.536 1.00 0.00 C ATOM 777 O VAL A 54 -2.759 -14.924 3.610 1.00 0.00 O ATOM 778 CB VAL A 54 -4.105 -12.094 4.722 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.186 -10.586 4.541 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.216 -12.793 3.953 1.00 0.00 C ATOM 0 H VAL A 54 -2.788 -13.036 2.223 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.950 -12.118 4.854 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.234 -12.316 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.166 -10.233 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.414 -10.105 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.036 -10.337 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.182 -12.410 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.094 -12.605 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.169 -13.866 4.140 1.00 0.00 H new ATOM 790 N GLN A 55 -2.488 -14.488 5.801 1.00 0.00 N ATOM 791 CA GLN A 55 -2.406 -15.893 6.183 1.00 0.00 C ATOM 792 C GLN A 55 -3.798 -16.483 6.389 1.00 0.00 C ATOM 793 O GLN A 55 -4.743 -15.768 6.718 1.00 0.00 O ATOM 794 CB GLN A 55 -1.579 -16.050 7.460 1.00 0.00 C ATOM 795 CG GLN A 55 -0.079 -16.074 7.213 1.00 0.00 C ATOM 796 CD GLN A 55 0.442 -17.469 6.925 1.00 0.00 C ATOM 797 OE1 GLN A 55 -0.311 -18.442 6.948 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.738 -17.572 6.651 1.00 0.00 N ATOM 0 H GLN A 55 -2.404 -13.834 6.579 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.917 -16.435 5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.814 -15.230 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.871 -16.973 7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.158 -15.421 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.436 -15.671 8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.325 -16.738 6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.146 -18.485 6.449 1.00 0.00 H new ATOM 807 N ASN A 56 -3.915 -17.793 6.193 1.00 0.00 N ATOM 808 CA ASN A 56 -5.191 -18.479 6.357 1.00 0.00 C ATOM 809 C ASN A 56 -5.384 -18.931 7.801 1.00 0.00 C ATOM 810 O ASN A 56 -5.860 -20.038 8.058 1.00 0.00 O ATOM 811 CB ASN A 56 -5.270 -19.685 5.418 1.00 0.00 C ATOM 812 CG ASN A 56 -6.694 -20.163 5.210 1.00 0.00 C ATOM 813 OD1 ASN A 56 -7.155 -21.087 5.880 1.00 0.00 O ATOM 814 ND2 ASN A 56 -7.398 -19.534 4.276 1.00 0.00 N ATOM 0 H ASN A 56 -3.142 -18.400 5.921 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.987 -17.778 6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.834 -19.421 4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.672 -20.500 5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.362 -19.812 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.975 -18.773 3.745 1.00 0.00 H new ATOM 821 N LEU A 57 -5.013 -18.068 8.740 1.00 0.00 N ATOM 822 CA LEU A 57 -5.145 -18.378 10.159 1.00 0.00 C ATOM 823 C LEU A 57 -6.546 -18.891 10.476 1.00 0.00 C ATOM 824 O LEU A 57 -6.711 -19.997 10.990 1.00 0.00 O ATOM 825 CB LEU A 57 -4.842 -17.138 11.002 1.00 0.00 C ATOM 826 CG LEU A 57 -3.526 -16.423 10.695 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.445 -15.105 11.450 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.341 -17.312 11.043 1.00 0.00 C ATOM 0 H LEU A 57 -4.618 -17.148 8.544 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.427 -19.161 10.403 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.658 -16.427 10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.838 -17.429 12.052 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.493 -16.209 9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.501 -14.611 11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.274 -14.463 11.151 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.502 -15.296 12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.413 -16.786 10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.370 -17.558 12.104 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.390 -18.229 10.456 1.00 0.00 H new ATOM 840 N ALA A 58 -7.553 -18.081 10.164 1.00 0.00 N ATOM 841 CA ALA A 58 -8.939 -18.456 10.411 1.00 0.00 C ATOM 842 C ALA A 58 -9.737 -18.498 9.112 1.00 0.00 C ATOM 843 O ALA A 58 -9.192 -18.275 8.030 1.00 0.00 O ATOM 844 CB ALA A 58 -9.580 -17.488 11.395 1.00 0.00 C ATOM 0 H ALA A 58 -7.434 -17.161 9.740 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.947 -19.456 10.844 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.615 -17.780 11.570 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.032 -17.511 12.337 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.552 -16.479 10.983 1.00 0.00 H new ATOM 850 N PHE A 59 -11.029 -18.785 9.226 1.00 0.00 N ATOM 851 CA PHE A 59 -11.901 -18.858 8.059 1.00 0.00 C ATOM 852 C PHE A 59 -12.320 -17.463 7.605 1.00 0.00 C ATOM 853 O PHE A 59 -11.964 -17.022 6.513 1.00 0.00 O ATOM 854 CB PHE A 59 -13.141 -19.698 8.375 1.00 0.00 C ATOM 855 CG PHE A 59 -12.848 -20.909 9.213 1.00 0.00 C ATOM 856 CD1 PHE A 59 -12.068 -21.940 8.714 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.350 -21.016 10.500 1.00 0.00 C ATOM 858 CE1 PHE A 59 -11.797 -23.056 9.484 1.00 0.00 C ATOM 859 CE2 PHE A 59 -13.082 -22.129 11.274 1.00 0.00 C ATOM 860 CZ PHE A 59 -12.304 -23.150 10.765 1.00 0.00 C ATOM 0 H PHE A 59 -11.496 -18.971 10.114 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.345 -19.332 7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.869 -19.075 8.894 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.602 -20.016 7.440 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.668 -21.871 7.713 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.958 -20.220 10.903 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.189 -23.854 9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.480 -22.200 12.275 1.00 0.00 H new ATOM 0 HZ PHE A 59 -12.092 -24.021 11.368 1.00 0.00 H new ATOM 870 N GLU A 60 -13.079 -16.774 8.452 1.00 0.00 N ATOM 871 CA GLU A 60 -13.547 -15.430 8.137 1.00 0.00 C ATOM 872 C GLU A 60 -12.424 -14.410 8.301 1.00 0.00 C ATOM 873 O GLU A 60 -11.601 -14.516 9.210 1.00 0.00 O ATOM 874 CB GLU A 60 -14.727 -15.053 9.036 1.00 0.00 C ATOM 875 CG GLU A 60 -15.922 -15.981 8.892 1.00 0.00 C ATOM 876 CD GLU A 60 -17.240 -15.280 9.159 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.559 -15.051 10.345 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.952 -14.961 8.184 1.00 0.00 O ATOM 0 H GLU A 60 -13.382 -17.125 9.361 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.874 -15.422 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.397 -15.057 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.038 -14.034 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.934 -16.398 7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.813 -16.817 9.582 1.00 0.00 H new ATOM 885 N LYS A 61 -12.396 -13.422 7.413 1.00 0.00 N ATOM 886 CA LYS A 61 -11.376 -12.381 7.456 1.00 0.00 C ATOM 887 C LYS A 61 -11.967 -11.023 7.093 1.00 0.00 C ATOM 888 O LYS A 61 -12.862 -10.929 6.252 1.00 0.00 O ATOM 889 CB LYS A 61 -10.229 -12.722 6.502 1.00 0.00 C ATOM 890 CG LYS A 61 -9.509 -14.013 6.852 1.00 0.00 C ATOM 891 CD LYS A 61 -8.862 -14.640 5.629 1.00 0.00 C ATOM 892 CE LYS A 61 -8.784 -16.154 5.754 1.00 0.00 C ATOM 893 NZ LYS A 61 -8.225 -16.784 4.526 1.00 0.00 N ATOM 0 H LYS A 61 -13.069 -13.320 6.654 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.990 -12.328 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.622 -12.798 5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.510 -11.903 6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.747 -13.813 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.215 -14.717 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.433 -14.376 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.860 -14.233 5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.164 -16.416 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.779 -16.554 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.820 -17.591 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.207 -16.086 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.258 -17.116 4.716 1.00 0.00 H new ATOM 907 N THR A 62 -11.461 -9.972 7.731 1.00 0.00 N ATOM 908 CA THR A 62 -11.939 -8.620 7.474 1.00 0.00 C ATOM 909 C THR A 62 -10.822 -7.735 6.932 1.00 0.00 C ATOM 910 O THR A 62 -10.141 -7.044 7.689 1.00 0.00 O ATOM 911 CB THR A 62 -12.514 -7.976 8.750 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.635 -8.734 9.219 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.942 -6.540 8.486 1.00 0.00 C ATOM 0 H THR A 62 -10.720 -10.032 8.429 1.00 0.00 H new ATOM 0 HA THR A 62 -12.729 -8.701 6.728 1.00 0.00 H new ATOM 0 HB THR A 62 -11.734 -7.972 9.511 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.994 -8.319 10.031 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.345 -6.106 9.401 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.081 -5.958 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.708 -6.525 7.710 1.00 0.00 H new ATOM 921 N VAL A 63 -10.640 -7.761 5.615 1.00 0.00 N ATOM 922 CA VAL A 63 -9.606 -6.960 4.971 1.00 0.00 C ATOM 923 C VAL A 63 -10.155 -5.610 4.524 1.00 0.00 C ATOM 924 O VAL A 63 -11.094 -5.542 3.729 1.00 0.00 O ATOM 925 CB VAL A 63 -9.010 -7.689 3.752 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.944 -6.832 3.085 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.439 -9.038 4.164 1.00 0.00 C ATOM 0 H VAL A 63 -11.195 -8.328 4.974 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.821 -6.802 5.711 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.808 -7.863 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.535 -7.364 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.387 -5.893 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.146 -6.625 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.022 -9.539 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.654 -8.890 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.231 -9.653 4.591 1.00 0.00 H new ATOM 937 N LYS A 64 -9.565 -4.537 5.039 1.00 0.00 N ATOM 938 CA LYS A 64 -9.993 -3.187 4.692 1.00 0.00 C ATOM 939 C LYS A 64 -8.818 -2.215 4.738 1.00 0.00 C ATOM 940 O LYS A 64 -8.067 -2.182 5.713 1.00 0.00 O ATOM 941 CB LYS A 64 -11.094 -2.719 5.646 1.00 0.00 C ATOM 942 CG LYS A 64 -12.482 -3.196 5.254 1.00 0.00 C ATOM 943 CD LYS A 64 -13.452 -3.107 6.420 1.00 0.00 C ATOM 944 CE LYS A 64 -14.632 -4.048 6.235 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.597 -3.957 7.366 1.00 0.00 N ATOM 0 H LYS A 64 -8.788 -4.576 5.699 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.385 -3.207 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.867 -3.074 6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.091 -1.630 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.853 -2.595 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.428 -4.226 4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.932 -3.351 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.813 -2.083 6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.143 -3.811 5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.270 -5.072 6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.387 -4.614 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.116 -4.208 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.963 -2.986 7.433 1.00 0.00 H new ATOM 959 N ILE A 65 -8.667 -1.426 3.680 1.00 0.00 N ATOM 960 CA ILE A 65 -7.586 -0.452 3.602 1.00 0.00 C ATOM 961 C ILE A 65 -7.965 0.848 4.304 1.00 0.00 C ATOM 962 O ILE A 65 -9.055 1.382 4.096 1.00 0.00 O ATOM 963 CB ILE A 65 -7.210 -0.143 2.141 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.744 -1.416 1.431 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.129 0.926 2.086 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.353 -1.856 1.831 1.00 0.00 C ATOM 0 H ILE A 65 -9.280 -1.442 2.865 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.726 -0.895 4.103 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.094 0.235 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.447 -2.221 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.769 -1.251 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.874 1.133 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.495 1.838 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.242 0.574 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.089 -2.764 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.639 -1.069 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.328 -2.053 2.903 1.00 0.00 H new ATOM 978 N ARG A 66 -7.058 1.352 5.134 1.00 0.00 N ATOM 979 CA ARG A 66 -7.297 2.590 5.865 1.00 0.00 C ATOM 980 C ARG A 66 -6.450 3.728 5.301 1.00 0.00 C ATOM 981 O ARG A 66 -5.254 3.818 5.574 1.00 0.00 O ATOM 982 CB ARG A 66 -6.987 2.398 7.351 1.00 0.00 C ATOM 983 CG ARG A 66 -6.967 3.696 8.142 1.00 0.00 C ATOM 984 CD ARG A 66 -6.927 3.434 9.640 1.00 0.00 C ATOM 985 NE ARG A 66 -6.441 4.593 10.385 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.958 4.523 11.620 1.00 0.00 C ATOM 987 NH1 ARG A 66 -5.894 3.355 12.245 1.00 0.00 N ATOM 988 NH2 ARG A 66 -5.535 5.621 12.232 1.00 0.00 N ATOM 0 H ARG A 66 -6.151 0.922 5.317 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.349 2.852 5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.730 1.729 7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.019 1.907 7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.099 4.287 7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.850 4.286 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.926 3.171 9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.283 2.578 9.841 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.475 5.506 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.216 2.508 11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.523 3.304 13.194 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.580 6.521 11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.164 5.565 13.181 1.00 0.00 H new ATOM 1002 N MET A 67 -7.080 4.593 4.513 1.00 0.00 N ATOM 1003 CA MET A 67 -6.385 5.724 3.911 1.00 0.00 C ATOM 1004 C MET A 67 -6.992 7.045 4.374 1.00 0.00 C ATOM 1005 O MET A 67 -8.192 7.129 4.639 1.00 0.00 O ATOM 1006 CB MET A 67 -6.440 5.631 2.385 1.00 0.00 C ATOM 1007 CG MET A 67 -5.889 6.860 1.681 1.00 0.00 C ATOM 1008 SD MET A 67 -6.424 6.974 -0.038 1.00 0.00 S ATOM 1009 CE MET A 67 -5.079 6.130 -0.867 1.00 0.00 C ATOM 0 H MET A 67 -8.070 4.532 4.277 1.00 0.00 H new ATOM 0 HA MET A 67 -5.344 5.691 4.232 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.878 4.755 2.062 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.474 5.478 2.076 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.208 7.754 2.217 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.800 6.837 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.264 6.118 -1.941 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.143 6.652 -0.666 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.010 5.106 -0.499 1.00 0.00 H new ATOM 1019 N THR A 68 -6.157 8.075 4.469 1.00 0.00 N ATOM 1020 CA THR A 68 -6.612 9.390 4.901 1.00 0.00 C ATOM 1021 C THR A 68 -6.043 10.488 4.010 1.00 0.00 C ATOM 1022 O THR A 68 -5.007 10.308 3.370 1.00 0.00 O ATOM 1023 CB THR A 68 -6.212 9.671 6.362 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.770 10.918 6.791 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.699 9.709 6.511 1.00 0.00 C ATOM 0 H THR A 68 -5.162 8.023 4.252 1.00 0.00 H new ATOM 0 HA THR A 68 -7.699 9.390 4.824 1.00 0.00 H new ATOM 0 HB THR A 68 -6.602 8.865 6.984 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.748 10.870 6.749 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.441 9.909 7.551 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.280 8.749 6.211 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.291 10.497 5.878 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.726 11.628 3.974 1.00 0.00 N ATOM 1034 CA PHE A 69 -6.288 12.756 3.161 1.00 0.00 C ATOM 1035 C PHE A 69 -6.207 14.030 3.997 1.00 0.00 C ATOM 1036 O PHE A 69 -6.000 15.122 3.466 1.00 0.00 O ATOM 1037 CB PHE A 69 -7.243 12.965 1.984 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.600 11.693 1.270 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -6.744 11.147 0.328 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -8.794 11.043 1.540 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -7.070 9.976 -0.331 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -9.125 9.872 0.885 1.00 0.00 C ATOM 1043 CZ PHE A 69 -8.263 9.339 -0.052 1.00 0.00 C ATOM 0 H PHE A 69 -7.585 11.795 4.499 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.293 12.530 2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.156 13.438 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.787 13.655 1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.810 11.642 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.473 11.456 2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.393 9.560 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.058 9.374 1.106 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.521 8.425 -0.566 1.00 0.00 H new ATOM 1053 N ASP A 70 -6.374 13.883 5.307 1.00 0.00 N ATOM 1054 CA ASP A 70 -6.320 15.020 6.217 1.00 0.00 C ATOM 1055 C ASP A 70 -5.385 14.735 7.389 1.00 0.00 C ATOM 1056 O ASP A 70 -5.833 14.493 8.510 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.720 15.353 6.735 1.00 0.00 C ATOM 1058 CG ASP A 70 -8.528 16.162 5.739 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -9.157 15.551 4.849 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.533 17.405 5.850 1.00 0.00 O ATOM 0 H ASP A 70 -6.548 12.987 5.762 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.932 15.876 5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.250 14.428 6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.636 15.910 7.668 1.00 0.00 H new ATOM 1065 N THR A 71 -4.083 14.764 7.122 1.00 0.00 N ATOM 1066 CA THR A 71 -3.086 14.506 8.152 1.00 0.00 C ATOM 1067 C THR A 71 -3.595 13.491 9.169 1.00 0.00 C ATOM 1068 O THR A 71 -3.550 13.731 10.376 1.00 0.00 O ATOM 1069 CB THR A 71 -2.692 15.800 8.889 1.00 0.00 C ATOM 1070 OG1 THR A 71 -2.337 16.814 7.943 1.00 0.00 O ATOM 1071 CG2 THR A 71 -1.526 15.551 9.835 1.00 0.00 C ATOM 0 H THR A 71 -3.695 14.964 6.200 1.00 0.00 H new ATOM 0 HA THR A 71 -2.208 14.102 7.647 1.00 0.00 H new ATOM 0 HB THR A 71 -3.549 16.134 9.474 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.090 17.634 8.420 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.266 16.479 10.344 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.810 14.800 10.572 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.666 15.195 9.267 1.00 0.00 H new ATOM 1079 N TRP A 72 -4.078 12.357 8.674 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.596 11.305 9.541 1.00 0.00 C ATOM 1081 C TRP A 72 -5.697 11.840 10.450 1.00 0.00 C ATOM 1082 O TRP A 72 -5.685 11.608 11.659 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.467 10.708 10.384 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.527 9.849 9.594 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.345 10.233 9.027 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.691 8.461 9.282 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.765 9.168 8.382 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.571 8.069 8.524 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.675 7.511 9.571 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.409 6.769 8.052 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.513 6.222 9.101 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.388 5.860 8.350 1.00 0.00 C ATOM 0 H TRP A 72 -4.122 12.143 7.678 1.00 0.00 H new ATOM 0 HA TRP A 72 -5.020 10.525 8.909 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.904 11.517 10.850 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.899 10.115 11.190 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.928 11.228 9.078 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.122 9.191 7.879 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.546 7.780 10.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.542 6.488 7.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.268 5.480 9.317 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.291 4.843 7.999 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.648 12.557 9.861 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.758 13.125 10.618 1.00 0.00 C ATOM 1105 C LYS A 73 -9.011 12.269 10.469 1.00 0.00 C ATOM 1106 O LYS A 73 -9.702 11.988 11.448 1.00 0.00 O ATOM 1107 CB LYS A 73 -8.043 14.554 10.148 1.00 0.00 C ATOM 1108 CG LYS A 73 -7.029 15.570 10.642 1.00 0.00 C ATOM 1109 CD LYS A 73 -7.442 16.169 11.975 1.00 0.00 C ATOM 1110 CE LYS A 73 -8.503 17.245 11.798 1.00 0.00 C ATOM 1111 NZ LYS A 73 -7.899 18.594 11.612 1.00 0.00 N ATOM 0 H LYS A 73 -6.673 12.759 8.861 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.477 13.145 11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.062 14.572 9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.036 14.848 10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.054 15.093 10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.920 16.364 9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.825 15.383 12.625 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.569 16.595 12.470 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.125 17.004 10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.157 17.257 12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.654 19.299 11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.326 18.836 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.295 18.590 10.766 1.00 0.00 H new ATOM 1125 N SER A 74 -9.299 11.858 9.238 1.00 0.00 N ATOM 1126 CA SER A 74 -10.471 11.036 8.961 1.00 0.00 C ATOM 1127 C SER A 74 -10.218 10.111 7.775 1.00 0.00 C ATOM 1128 O SER A 74 -10.024 10.567 6.648 1.00 0.00 O ATOM 1129 CB SER A 74 -11.687 11.922 8.681 1.00 0.00 C ATOM 1130 OG SER A 74 -12.810 11.143 8.308 1.00 0.00 O ATOM 0 H SER A 74 -8.737 12.081 8.417 1.00 0.00 H new ATOM 0 HA SER A 74 -10.671 10.424 9.841 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.926 12.508 9.568 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.450 12.629 7.886 1.00 0.00 H new ATOM 0 HG SER A 74 -13.574 11.732 8.136 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.221 8.809 8.037 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.989 7.818 6.993 1.00 0.00 C ATOM 1138 C TYR A 75 -11.261 7.027 6.700 1.00 0.00 C ATOM 1139 O TYR A 75 -12.181 6.982 7.517 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.866 6.865 7.405 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.102 6.192 8.738 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.870 5.038 8.830 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.557 6.710 9.906 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -10.089 4.420 10.046 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -8.769 6.098 11.126 1.00 0.00 C ATOM 1146 CZ TYR A 75 -9.536 4.953 11.191 1.00 0.00 C ATOM 1147 OH TYR A 75 -9.751 4.341 12.405 1.00 0.00 O ATOM 0 H TYR A 75 -10.382 8.415 8.964 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.694 8.346 6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.750 6.100 6.637 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.928 7.419 7.448 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.303 4.617 7.935 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.957 7.607 9.859 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.690 3.524 10.099 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.337 6.514 12.024 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.291 4.843 13.110 1.00 0.00 H new ATOM 1157 N THR A 76 -11.305 6.403 5.527 1.00 0.00 N ATOM 1158 CA THR A 76 -12.462 5.614 5.124 1.00 0.00 C ATOM 1159 C THR A 76 -12.093 4.145 4.954 1.00 0.00 C ATOM 1160 O THR A 76 -11.118 3.814 4.278 1.00 0.00 O ATOM 1161 CB THR A 76 -13.067 6.136 3.808 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.417 7.518 3.943 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.300 5.332 3.422 1.00 0.00 C ATOM 0 H THR A 76 -10.552 6.429 4.839 1.00 0.00 H new ATOM 0 HA THR A 76 -13.202 5.710 5.918 1.00 0.00 H new ATOM 0 HB THR A 76 -12.319 6.026 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.799 7.842 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.710 5.719 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.025 4.285 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.049 5.415 4.209 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.878 3.267 5.569 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.635 1.832 5.483 1.00 0.00 C ATOM 1173 C ASP A 77 -13.187 1.264 4.179 1.00 0.00 C ATOM 1174 O ASP A 77 -14.386 1.008 4.060 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.269 1.113 6.675 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.783 1.110 6.611 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.387 2.189 6.791 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -15.365 0.030 6.380 1.00 0.00 O ATOM 0 H ASP A 77 -13.688 3.524 6.133 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.557 1.670 5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.908 0.085 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.948 1.595 7.599 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.306 1.071 3.203 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.705 0.536 1.907 1.00 0.00 C ATOM 1185 C PHE A 78 -12.628 -0.988 1.901 1.00 0.00 C ATOM 1186 O PHE A 78 -11.619 -1.585 2.277 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.817 1.108 0.800 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.673 2.601 0.859 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.760 3.426 0.616 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.450 3.181 1.156 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.630 4.801 0.669 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -10.315 4.555 1.212 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.406 5.366 0.967 1.00 0.00 C ATOM 0 H PHE A 78 -11.310 1.277 3.285 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.738 0.831 1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.829 0.653 0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.232 0.829 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.720 2.989 0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.593 2.552 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.485 5.433 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.357 4.995 1.447 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.302 6.440 1.008 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.719 -1.634 1.463 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.800 -3.096 1.397 1.00 0.00 C ATOM 1205 C PRO A 79 -12.901 -3.678 0.312 1.00 0.00 C ATOM 1206 O PRO A 79 -12.920 -3.224 -0.833 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.273 -3.355 1.067 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.729 -2.116 0.376 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.957 -0.986 0.999 1.00 0.00 C ATOM 0 HA PRO A 79 -13.467 -3.565 2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.388 -4.230 0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.854 -3.542 1.970 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.539 -2.174 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.802 -1.971 0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.751 -0.195 0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.506 -0.531 1.824 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.115 -4.684 0.678 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.208 -5.328 -0.265 1.00 0.00 C ATOM 1219 C CYS A 80 -11.826 -6.603 -0.830 1.00 0.00 C ATOM 1220 O CYS A 80 -12.632 -7.258 -0.170 1.00 0.00 O ATOM 1221 CB CYS A 80 -9.877 -5.651 0.415 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.889 -4.196 0.833 1.00 0.00 S ATOM 0 H CYS A 80 -12.087 -5.071 1.621 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.029 -4.637 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.074 -6.217 1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.293 -6.297 -0.241 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.702 -4.571 1.208 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.445 -6.946 -2.056 1.00 0.00 N ATOM 1229 CA GLN A 81 -11.964 -8.141 -2.711 1.00 0.00 C ATOM 1230 C GLN A 81 -10.962 -9.287 -2.627 1.00 0.00 C ATOM 1231 O GLN A 81 -9.883 -9.141 -2.052 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.295 -7.843 -4.175 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.479 -6.907 -4.353 1.00 0.00 C ATOM 1234 CD GLN A 81 -14.798 -7.646 -4.452 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.086 -8.295 -5.458 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -15.609 -7.553 -3.404 1.00 0.00 N ATOM 0 H GLN A 81 -10.779 -6.414 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.875 -8.441 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.420 -7.404 -4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.503 -8.781 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.518 -6.213 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.333 -6.310 -5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.330 -7.004 -2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.510 -8.030 -3.413 1.00 0.00 H new ATOM 1245 N TYR A 82 -11.325 -10.428 -3.203 1.00 0.00 N ATOM 1246 CA TYR A 82 -10.459 -11.600 -3.190 1.00 0.00 C ATOM 1247 C TYR A 82 -9.967 -11.929 -4.596 1.00 0.00 C ATOM 1248 O TYR A 82 -10.744 -11.948 -5.550 1.00 0.00 O ATOM 1249 CB TYR A 82 -11.201 -12.802 -2.604 1.00 0.00 C ATOM 1250 CG TYR A 82 -10.296 -13.963 -2.257 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -9.562 -14.615 -3.239 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -10.173 -14.405 -0.945 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -8.734 -15.676 -2.927 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -9.347 -15.465 -0.623 1.00 0.00 C ATOM 1255 CZ TYR A 82 -8.630 -16.097 -1.617 1.00 0.00 C ATOM 1256 OH TYR A 82 -7.805 -17.152 -1.302 1.00 0.00 O ATOM 0 H TYR A 82 -12.213 -10.566 -3.685 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.595 -11.375 -2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.734 -12.487 -1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.952 -13.139 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.640 -14.287 -4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.732 -13.912 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.172 -16.173 -3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.263 -15.797 0.401 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.845 -17.322 -0.338 1.00 0.00 H new ATOM 1266 N VAL A 83 -8.668 -12.188 -4.716 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.070 -12.517 -6.004 1.00 0.00 C ATOM 1268 C VAL A 83 -7.557 -13.953 -6.020 1.00 0.00 C ATOM 1269 O VAL A 83 -6.518 -14.259 -5.436 1.00 0.00 O ATOM 1270 CB VAL A 83 -6.909 -11.565 -6.344 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -6.237 -11.984 -7.643 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.405 -10.129 -6.429 1.00 0.00 C ATOM 0 H VAL A 83 -8.010 -12.176 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.853 -12.405 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.169 -11.623 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.419 -11.299 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.845 -12.996 -7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.965 -11.957 -8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.571 -9.470 -6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.165 -10.052 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.835 -9.835 -5.471 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.162 -16.603 1.316 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.298 -15.778 0.922 1.00 0.00 C ATOM 1417 C ASP A 93 -4.827 -14.446 0.344 1.00 0.00 C ATOM 1418 O ASP A 93 -3.996 -13.759 0.938 1.00 0.00 O ATOM 1419 CB ASP A 93 -6.218 -15.532 2.118 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.510 -14.844 1.724 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.520 -14.149 0.686 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -8.511 -15.001 2.453 1.00 0.00 O ATOM 0 HA ASP A 93 -5.853 -16.313 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.448 -16.484 2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.695 -14.922 2.855 1.00 0.00 H new ATOM 1427 N THR A 94 -5.363 -14.088 -0.818 1.00 0.00 N ATOM 1428 CA THR A 94 -4.997 -12.841 -1.477 1.00 0.00 C ATOM 1429 C THR A 94 -6.204 -11.922 -1.625 1.00 0.00 C ATOM 1430 O THR A 94 -7.293 -12.365 -1.991 1.00 0.00 O ATOM 1431 CB THR A 94 -4.389 -13.098 -2.869 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.302 -14.025 -2.765 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.898 -11.801 -3.493 1.00 0.00 C ATOM 0 H THR A 94 -6.053 -14.645 -1.323 1.00 0.00 H new ATOM 0 HA THR A 94 -4.251 -12.358 -0.846 1.00 0.00 H new ATOM 0 HB THR A 94 -5.165 -13.519 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.932 -14.197 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.473 -12.008 -4.475 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.733 -11.109 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.135 -11.356 -2.854 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.004 -10.640 -1.339 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.077 -9.658 -1.439 1.00 0.00 C ATOM 1443 C PHE A 95 -6.654 -8.478 -2.310 1.00 0.00 C ATOM 1444 O PHE A 95 -5.468 -8.168 -2.421 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.476 -9.162 -0.048 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.221 -10.184 0.762 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.537 -11.120 1.521 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.607 -10.210 0.763 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -8.220 -12.062 2.267 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.295 -11.149 1.508 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.601 -12.077 2.259 1.00 0.00 C ATOM 0 H PHE A 95 -5.109 -10.257 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.936 -10.142 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.578 -8.864 0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.095 -8.271 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.457 -11.113 1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.155 -9.489 0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.675 -12.785 2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.375 -11.157 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.137 -12.813 2.839 1.00 0.00 H new ATOM 1461 N SER A 96 -7.634 -7.823 -2.925 1.00 0.00 N ATOM 1462 CA SER A 96 -7.365 -6.680 -3.790 1.00 0.00 C ATOM 1463 C SER A 96 -8.040 -5.422 -3.253 1.00 0.00 C ATOM 1464 O SER A 96 -8.827 -5.481 -2.308 1.00 0.00 O ATOM 1465 CB SER A 96 -7.849 -6.965 -5.213 1.00 0.00 C ATOM 1466 OG SER A 96 -9.260 -7.086 -5.256 1.00 0.00 O ATOM 0 H SER A 96 -8.621 -8.064 -2.840 1.00 0.00 H new ATOM 0 HA SER A 96 -6.288 -6.514 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.529 -6.162 -5.877 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.391 -7.883 -5.580 1.00 0.00 H new ATOM 0 HG SER A 96 -9.545 -7.266 -6.176 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.725 -4.284 -3.862 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.299 -3.010 -3.445 1.00 0.00 C ATOM 1474 C PHE A 97 -8.153 -1.962 -4.545 1.00 0.00 C ATOM 1475 O PHE A 97 -7.102 -1.852 -5.176 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.625 -2.517 -2.163 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.220 -2.030 -2.373 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.981 -0.788 -2.939 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.139 -2.813 -2.004 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.689 -0.337 -3.135 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.844 -2.368 -2.197 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.620 -1.128 -2.762 1.00 0.00 C ATOM 0 H PHE A 97 -7.076 -4.218 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.361 -3.164 -3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.221 -1.710 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.615 -3.326 -1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.814 -0.165 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.309 -3.783 -1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.516 0.632 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.010 -2.989 -1.906 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.610 -0.777 -2.912 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.215 -1.195 -4.767 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.206 -0.155 -5.790 1.00 0.00 C ATOM 1494 C ASP A 98 -9.794 1.144 -5.248 1.00 0.00 C ATOM 1495 O ASP A 98 -11.013 1.322 -5.222 1.00 0.00 O ATOM 1496 CB ASP A 98 -9.993 -0.612 -7.019 1.00 0.00 C ATOM 1497 CG ASP A 98 -9.488 -1.930 -7.572 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -9.835 -2.985 -7.001 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -8.744 -1.907 -8.576 1.00 0.00 O ATOM 0 H ASP A 98 -10.092 -1.274 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.171 0.028 -6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.046 -0.711 -6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.928 0.152 -7.793 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.921 2.049 -4.818 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.355 3.331 -4.277 1.00 0.00 C ATOM 1506 C ILE A 99 -9.294 4.424 -5.339 1.00 0.00 C ATOM 1507 O ILE A 99 -8.525 4.332 -6.296 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.494 3.754 -3.072 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.665 2.759 -1.922 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.865 5.159 -2.624 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.514 2.767 -0.940 1.00 0.00 C ATOM 0 H ILE A 99 -7.910 1.918 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.387 3.202 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.447 3.755 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.588 2.987 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.774 1.756 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.248 5.444 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.697 5.858 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.916 5.183 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.703 2.038 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.591 2.509 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.418 3.760 -0.500 1.00 0.00 H new ATOM 1523 N SER A 100 -10.109 5.459 -5.162 1.00 0.00 N ATOM 1524 CA SER A 100 -10.150 6.570 -6.107 1.00 0.00 C ATOM 1525 C SER A 100 -9.641 7.853 -5.458 1.00 0.00 C ATOM 1526 O SER A 100 -10.360 8.508 -4.702 1.00 0.00 O ATOM 1527 CB SER A 100 -11.575 6.776 -6.622 1.00 0.00 C ATOM 1528 OG SER A 100 -12.495 6.884 -5.550 1.00 0.00 O ATOM 0 H SER A 100 -10.750 5.552 -4.374 1.00 0.00 H new ATOM 0 HA SER A 100 -9.500 6.325 -6.947 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.617 7.677 -7.233 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.857 5.942 -7.264 1.00 0.00 H new ATOM 0 HG SER A 100 -12.124 7.470 -4.858 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.396 8.207 -5.758 1.00 0.00 N ATOM 1535 CA LEU A 101 -7.789 9.412 -5.205 1.00 0.00 C ATOM 1536 C LEU A 101 -8.795 10.558 -5.161 1.00 0.00 C ATOM 1537 O LEU A 101 -9.741 10.617 -5.947 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.570 9.820 -6.035 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.432 8.800 -6.102 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.396 9.225 -7.131 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -4.789 8.627 -4.734 1.00 0.00 C ATOM 0 H LEU A 101 -7.787 7.676 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.470 9.193 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.902 10.032 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.174 10.751 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.847 7.840 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.594 8.488 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.866 9.296 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.985 10.196 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.982 7.898 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.388 9.583 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.536 8.276 -4.022 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.586 11.493 -4.223 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.463 12.657 -4.056 1.00 0.00 C ATOM 1555 C PRO A 102 -9.338 13.646 -5.209 1.00 0.00 C ATOM 1556 O PRO A 102 -8.612 13.403 -6.171 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.969 13.289 -2.752 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.547 12.858 -2.638 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.479 11.488 -3.252 1.00 0.00 C ATOM 0 HA PRO A 102 -10.516 12.375 -4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.052 14.375 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.556 12.948 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.886 13.552 -3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.229 12.835 -1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.519 11.313 -3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.605 10.706 -2.504 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.240 15.478 4.302 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.554 14.192 4.268 1.00 0.00 C ATOM 1689 C ARG A 110 -1.489 13.090 3.777 1.00 0.00 C ATOM 1690 O ARG A 110 -2.651 13.026 4.176 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.016 13.839 5.655 1.00 0.00 C ATOM 1692 CG ARG A 110 1.171 12.890 5.625 1.00 0.00 C ATOM 1693 CD ARG A 110 1.752 12.681 7.015 1.00 0.00 C ATOM 1694 NE ARG A 110 2.715 13.721 7.368 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.636 13.579 8.314 1.00 0.00 C ATOM 1696 NH1 ARG A 110 3.720 12.447 8.998 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.477 14.572 8.578 1.00 0.00 N ATOM 0 HA ARG A 110 0.281 14.273 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.276 14.756 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.816 13.388 6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.861 11.931 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.940 13.289 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.945 12.671 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.238 11.706 7.062 1.00 0.00 H new ATOM 0 HE ARG A 110 2.678 14.605 6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.076 11.682 8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.429 12.341 9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.416 15.445 8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.184 14.462 9.305 1.00 0.00 H new ATOM 1711 N MET A 111 -0.973 12.226 2.910 1.00 0.00 N ATOM 1712 CA MET A 111 -1.762 11.126 2.366 1.00 0.00 C ATOM 1713 C MET A 111 -1.035 9.797 2.541 1.00 0.00 C ATOM 1714 O MET A 111 -0.012 9.551 1.903 1.00 0.00 O ATOM 1715 CB MET A 111 -2.059 11.368 0.884 1.00 0.00 C ATOM 1716 CG MET A 111 -2.560 10.131 0.156 1.00 0.00 C ATOM 1717 SD MET A 111 -3.265 10.515 -1.459 1.00 0.00 S ATOM 1718 CE MET A 111 -1.813 11.087 -2.336 1.00 0.00 C ATOM 0 H MET A 111 -0.013 12.266 2.569 1.00 0.00 H new ATOM 0 HA MET A 111 -2.703 11.080 2.915 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.804 12.159 0.795 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.154 11.727 0.394 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.736 9.429 0.031 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.312 9.634 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.892 12.160 -2.509 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.923 10.879 -1.741 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.739 10.570 -3.293 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.571 8.944 3.408 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.971 7.640 3.667 1.00 0.00 C ATOM 1730 C GLU A 112 -2.045 6.568 3.821 1.00 0.00 C ATOM 1731 O GLU A 112 -3.221 6.875 4.021 1.00 0.00 O ATOM 1732 CB GLU A 112 -0.104 7.694 4.926 1.00 0.00 C ATOM 1733 CG GLU A 112 0.863 8.866 4.951 1.00 0.00 C ATOM 1734 CD GLU A 112 2.215 8.520 4.358 1.00 0.00 C ATOM 1735 OE1 GLU A 112 2.540 7.317 4.282 1.00 0.00 O ATOM 1736 OE2 GLU A 112 2.947 9.454 3.969 1.00 0.00 O ATOM 0 H GLU A 112 -2.419 9.132 3.943 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.344 7.381 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.752 7.750 5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.462 6.766 5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.431 9.700 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.997 9.200 5.980 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.634 5.308 3.725 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.560 4.189 3.851 1.00 0.00 C ATOM 1745 C PHE A 113 -1.884 2.996 4.521 1.00 0.00 C ATOM 1746 O PHE A 113 -0.764 2.626 4.169 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.093 3.782 2.476 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.221 2.787 1.766 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.255 1.445 2.111 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.367 3.193 0.753 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.454 0.527 1.459 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.564 2.279 0.097 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.607 0.944 0.452 1.00 0.00 C ATOM 0 H PHE A 113 -0.665 5.036 3.560 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.394 4.509 4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.091 3.360 2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.194 4.673 1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.915 1.113 2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.328 4.235 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.491 -0.516 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.096 2.608 -0.692 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.021 0.228 -0.058 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.573 2.399 5.487 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.040 1.247 6.205 1.00 0.00 C ATOM 1765 C ALA A 114 -3.013 0.074 6.159 1.00 0.00 C ATOM 1766 O ALA A 114 -4.162 0.189 6.587 1.00 0.00 O ATOM 1767 CB ALA A 114 -1.730 1.621 7.647 1.00 0.00 C ATOM 0 H ALA A 114 -3.501 2.693 5.791 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.117 0.939 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.333 0.752 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -0.992 2.423 7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.642 1.956 8.140 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.546 -1.056 5.636 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.375 -2.251 5.534 1.00 0.00 C ATOM 1775 C VAL A 115 -3.880 -2.688 6.904 1.00 0.00 C ATOM 1776 O VAL A 115 -3.148 -2.636 7.893 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.603 -3.416 4.888 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.492 -4.644 4.765 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -2.058 -3.005 3.528 1.00 0.00 C ATOM 0 H VAL A 115 -1.598 -1.168 5.277 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.225 -1.994 4.902 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.760 -3.670 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.929 -5.457 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.829 -4.950 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.357 -4.407 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.515 -3.840 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.884 -2.723 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.384 -2.157 3.647 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.135 -3.120 6.956 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.739 -3.565 8.206 1.00 0.00 C ATOM 1791 C TYR A 116 -6.369 -4.945 8.045 1.00 0.00 C ATOM 1792 O TYR A 116 -7.500 -5.074 7.577 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.796 -2.561 8.672 1.00 0.00 C ATOM 1794 CG TYR A 116 -7.941 -3.195 9.429 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.735 -3.791 10.667 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.228 -3.197 8.907 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.778 -4.372 11.363 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.277 -3.774 9.596 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.047 -4.361 10.823 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.089 -4.937 11.513 1.00 0.00 O ATOM 0 H TYR A 116 -5.754 -3.171 6.147 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.952 -3.630 8.958 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.320 -1.814 9.308 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.193 -2.035 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.743 -3.800 11.093 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.412 -2.740 7.946 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.600 -4.832 12.324 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.272 -3.766 9.176 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.916 -4.843 10.995 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.628 -5.975 8.439 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.112 -7.347 8.338 1.00 0.00 C ATOM 1812 C TYR A 117 -6.541 -7.875 9.703 1.00 0.00 C ATOM 1813 O TYR A 117 -5.718 -8.047 10.601 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.027 -8.250 7.747 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.308 -9.726 7.919 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.559 -10.254 7.623 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.323 -10.593 8.375 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.821 -11.601 7.779 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.575 -11.942 8.532 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.825 -12.441 8.233 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.081 -13.784 8.388 1.00 0.00 O ATOM 0 H TYR A 117 -4.691 -5.886 8.831 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.979 -7.352 7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.922 -8.030 6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.073 -8.013 8.218 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.340 -9.600 7.265 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.343 -10.205 8.611 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.800 -11.994 7.547 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.797 -12.602 8.887 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.967 -13.904 8.790 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.837 -8.132 9.850 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.377 -8.640 11.105 1.00 0.00 C ATOM 1833 C GLU A 118 -8.645 -10.140 11.015 1.00 0.00 C ATOM 1834 O GLU A 118 -9.236 -10.619 10.046 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.668 -7.902 11.467 1.00 0.00 C ATOM 1836 CG GLU A 118 -9.909 -7.797 12.964 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.249 -9.133 13.595 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -10.828 -9.990 12.895 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -9.935 -9.323 14.789 1.00 0.00 O ATOM 0 H GLU A 118 -8.532 -7.997 9.116 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.636 -8.466 11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.635 -6.899 11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.512 -8.416 11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.019 -7.389 13.444 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.722 -7.095 13.149 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.205 -10.876 12.030 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.395 -12.321 12.065 1.00 0.00 C ATOM 1848 C CYS A 119 -8.071 -12.879 13.447 1.00 0.00 C ATOM 1849 O CYS A 119 -7.186 -12.376 14.138 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.518 -12.998 11.010 1.00 0.00 C ATOM 1851 SG CYS A 119 -8.175 -14.568 10.401 1.00 0.00 S ATOM 0 H CYS A 119 -7.714 -10.495 12.839 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.442 -12.530 11.845 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.392 -12.318 10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.528 -13.170 11.432 1.00 0.00 H new ATOM 0 HG CYS A 119 -9.411 -14.407 10.031 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.795 -13.920 13.844 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.586 -14.545 15.146 1.00 0.00 C ATOM 1859 C ASN A 120 -8.577 -13.498 16.256 1.00 0.00 C ATOM 1860 O ASN A 120 -7.705 -13.508 17.125 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.271 -15.326 15.154 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.405 -16.692 14.510 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -8.426 -17.363 14.659 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -6.371 -17.110 13.789 1.00 0.00 N ATOM 0 H ASN A 120 -9.531 -14.349 13.284 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.411 -15.234 15.328 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.508 -14.753 14.627 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.928 -15.444 16.182 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.403 -18.021 13.331 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.545 -16.520 13.693 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.553 -12.597 16.221 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.639 -11.557 17.229 1.00 0.00 C ATOM 1873 C GLY A 121 -8.362 -10.747 17.338 1.00 0.00 C ATOM 1874 O GLY A 121 -8.026 -10.249 18.412 1.00 0.00 O ATOM 0 H GLY A 121 -10.286 -12.569 15.512 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.468 -10.891 16.990 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.862 -12.010 18.195 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.649 -10.618 16.224 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.401 -9.865 16.200 1.00 0.00 C ATOM 1880 C GLN A 122 -6.451 -8.760 15.150 1.00 0.00 C ATOM 1881 O GLN A 122 -7.336 -8.742 14.294 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.223 -10.799 15.918 1.00 0.00 C ATOM 1883 CG GLN A 122 -4.925 -11.764 17.055 1.00 0.00 C ATOM 1884 CD GLN A 122 -3.990 -12.883 16.642 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -4.418 -14.018 16.426 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -2.705 -12.569 16.528 1.00 0.00 N ATOM 0 H GLN A 122 -7.914 -11.025 15.327 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.265 -9.405 17.179 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.431 -11.370 15.013 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.335 -10.200 15.719 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.483 -11.215 17.886 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.860 -12.192 17.417 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.394 -11.616 16.717 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.029 -13.281 16.252 1.00 0.00 H new ATOM 1895 N THR A 123 -5.495 -7.839 15.221 1.00 0.00 N ATOM 1896 CA THR A 123 -5.431 -6.730 14.278 1.00 0.00 C ATOM 1897 C THR A 123 -4.006 -6.509 13.784 1.00 0.00 C ATOM 1898 O THR A 123 -3.099 -6.242 14.573 1.00 0.00 O ATOM 1899 CB THR A 123 -5.951 -5.424 14.910 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.220 -5.653 15.533 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.086 -4.331 13.860 1.00 0.00 C ATOM 0 H THR A 123 -4.754 -7.840 15.922 1.00 0.00 H new ATOM 0 HA THR A 123 -6.068 -6.996 13.434 1.00 0.00 H new ATOM 0 HB THR A 123 -5.231 -5.098 15.661 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.543 -4.819 15.934 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.455 -3.419 14.330 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.113 -4.139 13.408 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.787 -4.651 13.089 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.815 -6.622 12.474 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.499 -6.437 11.875 1.00 0.00 C ATOM 1911 C TYR A 124 -2.462 -5.174 11.020 1.00 0.00 C ATOM 1912 O TYR A 124 -3.338 -4.952 10.183 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.126 -7.653 11.025 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.360 -8.974 11.722 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.548 -9.381 12.773 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.395 -9.814 11.331 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.758 -10.587 13.413 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.614 -11.022 11.965 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.792 -11.404 13.005 1.00 0.00 C ATOM 1920 OH TYR A 124 -3.006 -12.606 13.640 1.00 0.00 O ATOM 0 H TYR A 124 -4.555 -6.841 11.807 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.773 -6.330 12.681 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.705 -7.632 10.102 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.075 -7.581 10.744 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.738 -8.743 13.095 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.040 -9.518 10.517 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.117 -10.888 14.228 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.423 -11.663 11.648 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.773 -13.059 13.232 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.443 -4.350 11.236 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.291 -3.109 10.485 1.00 0.00 C ATOM 1932 C TRP A 125 0.022 -3.100 9.710 1.00 0.00 C ATOM 1933 O TRP A 125 1.102 -3.064 10.300 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.348 -1.907 11.430 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.713 -1.665 12.001 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.163 -2.040 13.234 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.804 -0.996 11.359 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.469 -1.644 13.398 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.884 -1.001 12.263 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.972 -0.391 10.111 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.114 -0.426 11.955 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.193 0.179 9.807 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.251 0.160 10.725 1.00 0.00 C ATOM 0 H TRP A 125 -0.710 -4.519 11.925 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.113 -3.041 9.772 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.643 -2.062 12.246 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.023 -1.016 10.893 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.579 -2.570 13.972 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.037 -1.803 14.230 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.162 -0.369 9.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.931 -0.442 12.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.334 0.648 8.844 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.193 0.616 10.458 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.078 -3.132 8.386 1.00 0.00 N ATOM 1955 CA ASP A 126 1.102 -3.126 7.529 1.00 0.00 C ATOM 1956 C ASP A 126 1.377 -1.724 6.993 1.00 0.00 C ATOM 1957 O ASP A 126 0.747 -1.281 6.034 1.00 0.00 O ATOM 1958 CB ASP A 126 0.920 -4.103 6.367 1.00 0.00 C ATOM 1959 CG ASP A 126 2.242 -4.604 5.819 1.00 0.00 C ATOM 1960 OD1 ASP A 126 2.770 -5.598 6.361 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.750 -4.002 4.850 1.00 0.00 O ATOM 0 H ASP A 126 -0.964 -3.162 7.882 1.00 0.00 H new ATOM 0 HA ASP A 126 1.957 -3.441 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.323 -4.952 6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.361 -3.614 5.569 1.00 0.00 H new ATOM 1966 N SER A 127 2.322 -1.032 7.621 1.00 0.00 N ATOM 1967 CA SER A 127 2.678 0.322 7.210 1.00 0.00 C ATOM 1968 C SER A 127 4.140 0.393 6.780 1.00 0.00 C ATOM 1969 O SER A 127 5.034 0.566 7.608 1.00 0.00 O ATOM 1970 CB SER A 127 2.422 1.307 8.352 1.00 0.00 C ATOM 1971 OG SER A 127 3.357 1.127 9.401 1.00 0.00 O ATOM 0 H SER A 127 2.855 -1.386 8.416 1.00 0.00 H new ATOM 0 HA SER A 127 2.054 0.593 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.485 2.328 7.976 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.411 1.170 8.735 1.00 0.00 H new ATOM 0 HG SER A 127 4.256 1.029 9.024 1.00 0.00 H new ATOM 1977 N ASN A 128 4.375 0.257 5.479 1.00 0.00 N ATOM 1978 CA ASN A 128 5.728 0.305 4.938 1.00 0.00 C ATOM 1979 C ASN A 128 6.717 -0.371 5.884 1.00 0.00 C ATOM 1980 O ASN A 128 7.887 0.006 5.948 1.00 0.00 O ATOM 1981 CB ASN A 128 6.151 1.755 4.692 1.00 0.00 C ATOM 1982 CG ASN A 128 5.744 2.251 3.318 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.091 1.537 2.557 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.129 3.480 2.995 1.00 0.00 N ATOM 0 H ASN A 128 3.646 0.113 4.780 1.00 0.00 H new ATOM 0 HA ASN A 128 5.732 -0.234 3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.705 2.395 5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.232 1.838 4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.884 3.868 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.669 4.036 3.658 1.00 0.00 H new ATOM 1991 N ARG A 129 6.238 -1.372 6.615 1.00 0.00 N ATOM 1992 CA ARG A 129 7.078 -2.100 7.557 1.00 0.00 C ATOM 1993 C ARG A 129 8.033 -1.154 8.278 1.00 0.00 C ATOM 1994 O ARG A 129 9.103 -1.559 8.729 1.00 0.00 O ATOM 1995 CB ARG A 129 7.873 -3.187 6.830 1.00 0.00 C ATOM 1996 CG ARG A 129 7.023 -4.057 5.920 1.00 0.00 C ATOM 1997 CD ARG A 129 7.874 -4.785 4.891 1.00 0.00 C ATOM 1998 NE ARG A 129 9.030 -5.437 5.500 1.00 0.00 N ATOM 1999 CZ ARG A 129 10.226 -4.869 5.600 1.00 0.00 C ATOM 2000 NH1 ARG A 129 10.422 -3.643 5.134 1.00 0.00 N ATOM 2001 NH2 ARG A 129 11.229 -5.526 6.167 1.00 0.00 N ATOM 0 H ARG A 129 5.272 -1.697 6.573 1.00 0.00 H new ATOM 0 HA ARG A 129 6.429 -2.567 8.297 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.659 -2.717 6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 129 8.365 -3.820 7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.473 -4.783 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 129 6.284 -3.439 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 129 7.265 -5.530 4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 129 8.214 -4.077 4.135 1.00 0.00 H new ATOM 0 HE ARG A 129 8.912 -6.381 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 129 9.653 -3.134 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 129 11.342 -3.209 5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 129 11.082 -6.469 6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 129 12.147 -5.088 6.243 1.00 0.00 H new ATOM 2015 N GLY A 130 7.637 0.111 8.383 1.00 0.00 N ATOM 2016 CA GLY A 130 8.469 1.096 9.050 1.00 0.00 C ATOM 2017 C GLY A 130 7.675 2.294 9.533 1.00 0.00 C ATOM 2018 O GLY A 130 7.260 2.348 10.691 1.00 0.00 O ATOM 0 H GLY A 130 6.755 0.471 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.969 0.630 9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.248 1.432 8.366 1.00 0.00 H new ATOM 2022 N LYS A 131 7.463 3.259 8.644 1.00 0.00 N ATOM 2023 CA LYS A 131 6.715 4.463 8.985 1.00 0.00 C ATOM 2024 C LYS A 131 5.293 4.393 8.434 1.00 0.00 C ATOM 2025 O LYS A 131 4.341 4.166 9.178 1.00 0.00 O ATOM 2026 CB LYS A 131 7.425 5.702 8.436 1.00 0.00 C ATOM 2027 CG LYS A 131 8.541 6.210 9.333 1.00 0.00 C ATOM 2028 CD LYS A 131 8.706 7.716 9.220 1.00 0.00 C ATOM 2029 CE LYS A 131 10.079 8.164 9.696 1.00 0.00 C ATOM 2030 NZ LYS A 131 10.233 9.644 9.630 1.00 0.00 N ATOM 0 H LYS A 131 7.799 3.230 7.681 1.00 0.00 H new ATOM 0 HA LYS A 131 6.663 4.533 10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.837 5.469 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.693 6.497 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.327 5.943 10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.477 5.719 9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.561 8.022 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.935 8.213 9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.236 7.828 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.848 7.691 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.182 9.909 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.109 9.962 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.516 10.095 10.233 1.00 0.00 H new ATOM 2044 N ASN A 132 5.160 4.590 7.127 1.00 0.00 N ATOM 2045 CA ASN A 132 3.855 4.548 6.477 1.00 0.00 C ATOM 2046 C ASN A 132 3.995 4.688 4.965 1.00 0.00 C ATOM 2047 O ASN A 132 4.998 5.202 4.469 1.00 0.00 O ATOM 2048 CB ASN A 132 2.955 5.660 7.022 1.00 0.00 C ATOM 2049 CG ASN A 132 3.685 6.983 7.152 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.811 7.133 6.676 1.00 0.00 O ATOM 2051 ND2 ASN A 132 3.046 7.950 7.798 1.00 0.00 N ATOM 0 H ASN A 132 5.939 4.780 6.497 1.00 0.00 H new ATOM 0 HA ASN A 132 3.400 3.581 6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 132 2.097 5.785 6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.567 5.365 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.487 8.862 7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.114 7.781 8.176 1.00 0.00 H new ATOM 2058 N TYR A 133 2.983 4.228 4.237 1.00 0.00 N ATOM 2059 CA TYR A 133 2.994 4.300 2.781 1.00 0.00 C ATOM 2060 C TYR A 133 2.880 5.745 2.306 1.00 0.00 C ATOM 2061 O TYR A 133 1.780 6.287 2.191 1.00 0.00 O ATOM 2062 CB TYR A 133 1.850 3.468 2.200 1.00 0.00 C ATOM 2063 CG TYR A 133 2.184 2.001 2.048 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.013 1.559 1.024 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.669 1.057 2.928 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.320 0.220 0.882 1.00 0.00 C ATOM 2067 CE2 TYR A 133 1.973 -0.284 2.794 1.00 0.00 C ATOM 2068 CZ TYR A 133 2.798 -0.698 1.769 1.00 0.00 C ATOM 2069 OH TYR A 133 3.101 -2.033 1.631 1.00 0.00 O ATOM 0 H TYR A 133 2.145 3.801 4.632 1.00 0.00 H new ATOM 0 HA TYR A 133 3.943 3.895 2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 133 0.976 3.568 2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.576 3.872 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.424 2.275 0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.020 1.377 3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 133 3.966 -0.107 0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.567 -1.005 3.488 1.00 0.00 H new ATOM 0 HH TYR A 133 2.654 -2.545 2.337 1.00 0.00 H new ATOM 2079 N ARG A 134 4.024 6.363 2.030 1.00 0.00 N ATOM 2080 CA ARG A 134 4.053 7.745 1.567 1.00 0.00 C ATOM 2081 C ARG A 134 3.694 7.831 0.087 1.00 0.00 C ATOM 2082 O ARG A 134 4.321 7.183 -0.752 1.00 0.00 O ATOM 2083 CB ARG A 134 5.436 8.355 1.804 1.00 0.00 C ATOM 2084 CG ARG A 134 5.469 9.867 1.654 1.00 0.00 C ATOM 2085 CD ARG A 134 6.890 10.403 1.724 1.00 0.00 C ATOM 2086 NE ARG A 134 6.925 11.863 1.727 1.00 0.00 N ATOM 2087 CZ ARG A 134 7.928 12.573 2.231 1.00 0.00 C ATOM 2088 NH1 ARG A 134 8.973 11.961 2.770 1.00 0.00 N ATOM 2089 NH2 ARG A 134 7.886 13.899 2.197 1.00 0.00 N ATOM 0 H ARG A 134 4.943 5.928 2.119 1.00 0.00 H new ATOM 0 HA ARG A 134 3.312 8.308 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.773 8.090 2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.144 7.913 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 134 5.019 10.149 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.867 10.325 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.375 10.027 2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.461 10.029 0.874 1.00 0.00 H new ATOM 0 HE ARG A 134 6.136 12.365 1.320 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.008 10.942 2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 134 9.742 12.509 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 134 7.083 14.373 1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 134 8.657 14.444 2.584 1.00 0.00 H new ATOM 2103 N ILE A 135 2.683 8.634 -0.226 1.00 0.00 N ATOM 2104 CA ILE A 135 2.241 8.804 -1.605 1.00 0.00 C ATOM 2105 C ILE A 135 2.452 10.239 -2.076 1.00 0.00 C ATOM 2106 O ILE A 135 1.723 11.147 -1.675 1.00 0.00 O ATOM 2107 CB ILE A 135 0.756 8.434 -1.770 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.525 6.973 -1.378 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.304 8.681 -3.202 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.936 6.589 -1.310 1.00 0.00 C ATOM 0 H ILE A 135 2.154 9.177 0.456 1.00 0.00 H new ATOM 0 HA ILE A 135 2.844 8.131 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 135 0.164 9.066 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.029 6.328 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.986 6.788 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.748 8.415 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.437 9.734 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.899 8.071 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.024 5.540 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.441 7.209 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.398 6.741 -2.285 1.00 0.00 H new ATOM 2122 N ILE A 136 3.450 10.436 -2.929 1.00 0.00 N ATOM 2123 CA ILE A 136 3.754 11.760 -3.458 1.00 0.00 C ATOM 2124 C ILE A 136 3.358 11.870 -4.926 1.00 0.00 C ATOM 2125 O ILE A 136 3.115 10.863 -5.591 1.00 0.00 O ATOM 2126 CB ILE A 136 5.251 12.093 -3.315 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.088 11.172 -4.205 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.684 11.972 -1.862 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.493 11.677 -4.445 1.00 0.00 C ATOM 0 H ILE A 136 4.063 9.695 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 136 3.174 12.474 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 136 5.412 13.122 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.139 10.185 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.585 11.052 -5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.744 12.210 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.106 12.666 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.512 10.953 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.028 10.974 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.451 12.651 -4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.014 11.770 -3.492 1.00 0.00 H new ATOM 2141 N ARG A 137 3.295 13.100 -5.425 1.00 0.00 N ATOM 2142 CA ARG A 137 2.929 13.343 -6.815 1.00 0.00 C ATOM 2143 C ARG A 137 4.026 12.857 -7.759 1.00 0.00 C ATOM 2144 O ARG A 137 5.101 12.450 -7.320 1.00 0.00 O ATOM 2145 CB ARG A 137 2.668 14.833 -7.044 1.00 0.00 C ATOM 2146 CG ARG A 137 1.642 15.111 -8.130 1.00 0.00 C ATOM 2147 CD ARG A 137 1.083 16.522 -8.020 1.00 0.00 C ATOM 2148 NE ARG A 137 -0.148 16.563 -7.235 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.732 17.690 -6.844 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.200 18.862 -7.163 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -1.851 17.646 -6.132 1.00 0.00 N ATOM 0 H ARG A 137 3.493 13.944 -4.887 1.00 0.00 H new ATOM 0 HA ARG A 137 2.017 12.785 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.327 15.281 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.606 15.321 -7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.101 14.976 -9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 137 0.828 14.389 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 137 1.828 17.172 -7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.890 16.914 -9.018 1.00 0.00 H new ATOM 0 HE ARG A 137 -0.583 15.678 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.660 18.900 -7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.651 19.726 -6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -2.263 16.746 -5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -2.299 18.512 -5.832 1.00 0.00 H new ATOM 2165 N ALA A 138 3.745 12.904 -9.057 1.00 0.00 N ATOM 2166 CA ALA A 138 4.708 12.470 -10.063 1.00 0.00 C ATOM 2167 C ALA A 138 5.719 13.571 -10.365 1.00 0.00 C ATOM 2168 O ALA A 138 6.882 13.293 -10.657 1.00 0.00 O ATOM 2169 CB ALA A 138 3.988 12.049 -11.335 1.00 0.00 C ATOM 0 H ALA A 138 2.859 13.238 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 138 5.251 11.613 -9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.719 11.727 -12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.309 11.225 -11.113 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.419 12.892 -11.727 1.00 0.00 H new ATOM 2175 N GLU A 139 5.268 14.819 -10.292 1.00 0.00 N ATOM 2176 CA GLU A 139 6.136 15.961 -10.559 1.00 0.00 C ATOM 2177 C GLU A 139 7.277 16.025 -9.549 1.00 0.00 C ATOM 2178 O GLU A 139 8.422 16.307 -9.905 1.00 0.00 O ATOM 2179 CB GLU A 139 5.331 17.261 -10.520 1.00 0.00 C ATOM 2180 CG GLU A 139 4.673 17.529 -9.177 1.00 0.00 C ATOM 2181 CD GLU A 139 4.098 18.929 -9.078 1.00 0.00 C ATOM 2182 OE1 GLU A 139 3.772 19.512 -10.133 1.00 0.00 O ATOM 2183 OE2 GLU A 139 3.974 19.442 -7.946 1.00 0.00 O ATOM 0 H GLU A 139 4.308 15.065 -10.051 1.00 0.00 H new ATOM 0 HA GLU A 139 6.562 15.836 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.990 18.094 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.562 17.225 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.878 16.801 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.405 17.384 -8.383 1.00 0.00 H new