USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 801 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 16 TYR OH : rot 180:sc= -0.0212 USER MOD Set 1.2: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00355 USER MOD Single : A 11 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.21) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= 0.234 K(o=0.23,f=-2.5!) USER MOD Single : A 29 ASN : amide:sc= -1.13 K(o=-1.1,f=-10!) USER MOD Single : A 33 SER OG : rot 78:sc= 0.368 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 1.15 (180deg=0.582) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.21) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00749) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.685 X(o=-0.68,f=-0.44) USER MOD Single : A 61 LYS NZ :NH3+ 135:sc= 1.25 (180deg=0.512) USER MOD Single : A 64 MET CE :methyl 167:sc= -0.306 (180deg=-0.655) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.0013) USER MOD Single : A 75 THR OG1 : rot 61:sc= 1.2 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 161:sc= -0.116 (180deg=-0.604) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.096) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0265 K(o=-0.026,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 2.438 -12.793 9.240 1.00 44.44 N ATOM 92 CA TYR A 7 1.088 -12.739 8.696 1.00 75.11 C ATOM 93 C TYR A 7 1.058 -12.131 7.298 1.00 34.13 C ATOM 94 O TYR A 7 2.059 -11.597 6.811 1.00 34.13 O ATOM 95 CB TYR A 7 0.163 -11.960 9.642 1.00 52.10 C ATOM 96 CG TYR A 7 0.762 -10.676 10.182 1.00 2.20 C ATOM 97 CD1 TYR A 7 0.666 -9.484 9.477 1.00 32.13 C ATOM 98 CD2 TYR A 7 1.425 -10.662 11.403 1.00 1.45 C ATOM 99 CE1 TYR A 7 1.211 -8.315 9.974 1.00 63.33 C ATOM 100 CE2 TYR A 7 1.971 -9.498 11.907 1.00 13.11 C ATOM 101 CZ TYR A 7 1.864 -8.328 11.188 1.00 25.34 C ATOM 102 OH TYR A 7 2.408 -7.169 11.686 1.00 52.43 O ATOM 0 HA TYR A 7 0.728 -13.764 8.610 1.00 75.11 H new ATOM 0 HB2 TYR A 7 -0.761 -11.723 9.114 1.00 52.10 H new ATOM 0 HB3 TYR A 7 -0.105 -12.603 10.480 1.00 52.10 H new ATOM 0 HD1 TYR A 7 0.157 -9.470 8.525 1.00 32.13 H new ATOM 0 HD2 TYR A 7 1.515 -11.578 11.968 1.00 1.45 H new ATOM 0 HE1 TYR A 7 1.126 -7.396 9.414 1.00 63.33 H new ATOM 0 HE2 TYR A 7 2.479 -9.505 12.860 1.00 13.11 H new ATOM 0 HH TYR A 7 2.831 -7.351 12.551 1.00 52.43 H new ATOM 112 N THR A 8 -0.098 -12.234 6.661 1.00 30.12 N ATOM 113 CA THR A 8 -0.311 -11.712 5.323 1.00 65.41 C ATOM 114 C THR A 8 -0.351 -10.181 5.331 1.00 62.40 C ATOM 115 O THR A 8 -0.651 -9.571 6.360 1.00 35.34 O ATOM 116 CB THR A 8 -1.637 -12.265 4.771 1.00 72.11 C ATOM 117 OG1 THR A 8 -1.741 -13.657 5.097 1.00 24.11 O ATOM 118 CG2 THR A 8 -1.729 -12.091 3.266 1.00 32.20 C ATOM 0 H THR A 8 -0.920 -12.686 7.062 1.00 30.12 H new ATOM 0 HA THR A 8 0.517 -12.026 4.688 1.00 65.41 H new ATOM 0 HB THR A 8 -2.455 -11.707 5.226 1.00 72.11 H new ATOM 0 HG1 THR A 8 -2.585 -14.012 4.749 1.00 24.11 H new ATOM 0 HG21 THR A 8 -2.678 -12.493 2.911 1.00 32.20 H new ATOM 0 HG22 THR A 8 -1.668 -11.031 3.018 1.00 32.20 H new ATOM 0 HG23 THR A 8 -0.908 -12.624 2.787 1.00 32.20 H new ATOM 126 N VAL A 9 -0.052 -9.566 4.185 1.00 64.11 N ATOM 127 CA VAL A 9 -0.104 -8.110 4.055 1.00 11.25 C ATOM 128 C VAL A 9 -1.519 -7.602 4.343 1.00 71.53 C ATOM 129 O VAL A 9 -1.705 -6.484 4.821 1.00 64.50 O ATOM 130 CB VAL A 9 0.356 -7.643 2.648 1.00 23.14 C ATOM 131 CG1 VAL A 9 -0.607 -8.110 1.565 1.00 2.45 C ATOM 132 CG2 VAL A 9 0.523 -6.130 2.599 1.00 23.21 C ATOM 0 H VAL A 9 0.228 -10.054 3.334 1.00 64.11 H new ATOM 0 HA VAL A 9 0.585 -7.688 4.787 1.00 11.25 H new ATOM 0 HB VAL A 9 1.326 -8.100 2.455 1.00 23.14 H new ATOM 0 HG11 VAL A 9 -0.255 -7.766 0.592 1.00 2.45 H new ATOM 0 HG12 VAL A 9 -0.658 -9.199 1.568 1.00 2.45 H new ATOM 0 HG13 VAL A 9 -1.598 -7.700 1.758 1.00 2.45 H new ATOM 0 HG21 VAL A 9 0.846 -5.832 1.602 1.00 23.21 H new ATOM 0 HG22 VAL A 9 -0.428 -5.651 2.831 1.00 23.21 H new ATOM 0 HG23 VAL A 9 1.271 -5.823 3.330 1.00 23.21 H new ATOM 142 N ALA A 10 -2.508 -8.448 4.073 1.00 53.01 N ATOM 143 CA ALA A 10 -3.898 -8.126 4.361 1.00 21.12 C ATOM 144 C ALA A 10 -4.099 -7.886 5.855 1.00 4.34 C ATOM 145 O ALA A 10 -4.799 -6.957 6.254 1.00 2.51 O ATOM 146 CB ALA A 10 -4.806 -9.243 3.874 1.00 3.22 C ATOM 0 H ALA A 10 -2.369 -9.367 3.653 1.00 53.01 H new ATOM 0 HA ALA A 10 -4.157 -7.209 3.832 1.00 21.12 H new ATOM 0 HB1 ALA A 10 -5.843 -8.991 4.095 1.00 3.22 H new ATOM 0 HB2 ALA A 10 -4.684 -9.368 2.798 1.00 3.22 H new ATOM 0 HB3 ALA A 10 -4.543 -10.172 4.379 1.00 3.22 H new ATOM 152 N GLN A 11 -3.460 -8.716 6.673 1.00 53.23 N ATOM 153 CA GLN A 11 -3.550 -8.590 8.123 1.00 25.23 C ATOM 154 C GLN A 11 -2.705 -7.419 8.615 1.00 43.14 C ATOM 155 O GLN A 11 -3.010 -6.810 9.642 1.00 12.14 O ATOM 156 CB GLN A 11 -3.119 -9.892 8.811 1.00 3.15 C ATOM 157 CG GLN A 11 -4.229 -10.931 8.921 1.00 25.41 C ATOM 158 CD GLN A 11 -4.794 -11.345 7.576 1.00 1.23 C ATOM 159 OE1 GLN A 11 -5.740 -10.735 7.072 1.00 45.34 O ATOM 160 NE2 GLN A 11 -4.231 -12.388 6.988 1.00 61.04 N ATOM 0 H GLN A 11 -2.872 -9.486 6.354 1.00 53.23 H new ATOM 0 HA GLN A 11 -4.591 -8.396 8.382 1.00 25.23 H new ATOM 0 HB2 GLN A 11 -2.284 -10.324 8.259 1.00 3.15 H new ATOM 0 HB3 GLN A 11 -2.753 -9.659 9.811 1.00 3.15 H new ATOM 0 HG2 GLN A 11 -3.843 -11.813 9.433 1.00 25.41 H new ATOM 0 HG3 GLN A 11 -5.033 -10.530 9.538 1.00 25.41 H new ATOM 0 HE21 GLN A 11 -3.450 -12.866 7.437 1.00 61.04 H new ATOM 0 HE22 GLN A 11 -4.578 -12.714 6.086 1.00 61.04 H new ATOM 169 N LEU A 12 -1.648 -7.105 7.870 1.00 54.20 N ATOM 170 CA LEU A 12 -0.813 -5.949 8.173 1.00 32.21 C ATOM 171 C LEU A 12 -1.608 -4.667 7.960 1.00 71.52 C ATOM 172 O LEU A 12 -1.666 -3.804 8.837 1.00 42.12 O ATOM 173 CB LEU A 12 0.441 -5.943 7.291 1.00 2.14 C ATOM 174 CG LEU A 12 1.382 -4.754 7.503 1.00 4.02 C ATOM 175 CD1 LEU A 12 1.977 -4.782 8.904 1.00 3.01 C ATOM 176 CD2 LEU A 12 2.480 -4.755 6.449 1.00 15.53 C ATOM 0 H LEU A 12 -1.350 -7.636 7.052 1.00 54.20 H new ATOM 0 HA LEU A 12 -0.500 -6.008 9.216 1.00 32.21 H new ATOM 0 HB2 LEU A 12 0.997 -6.863 7.472 1.00 2.14 H new ATOM 0 HB3 LEU A 12 0.131 -5.958 6.246 1.00 2.14 H new ATOM 0 HG LEU A 12 0.807 -3.834 7.400 1.00 4.02 H new ATOM 0 HD11 LEU A 12 2.643 -3.929 9.034 1.00 3.01 H new ATOM 0 HD12 LEU A 12 1.175 -4.732 9.641 1.00 3.01 H new ATOM 0 HD13 LEU A 12 2.540 -5.705 9.042 1.00 3.01 H new ATOM 0 HD21 LEU A 12 3.142 -3.904 6.612 1.00 15.53 H new ATOM 0 HD22 LEU A 12 3.053 -5.679 6.521 1.00 15.53 H new ATOM 0 HD23 LEU A 12 2.033 -4.682 5.458 1.00 15.53 H new ATOM 188 N ALA A 13 -2.237 -4.564 6.796 1.00 23.33 N ATOM 189 CA ALA A 13 -3.070 -3.415 6.466 1.00 41.15 C ATOM 190 C ALA A 13 -4.294 -3.355 7.373 1.00 62.42 C ATOM 191 O ALA A 13 -4.826 -2.280 7.641 1.00 41.14 O ATOM 192 CB ALA A 13 -3.491 -3.466 5.006 1.00 11.44 C ATOM 0 H ALA A 13 -2.185 -5.268 6.060 1.00 23.33 H new ATOM 0 HA ALA A 13 -2.483 -2.511 6.626 1.00 41.15 H new ATOM 0 HB1 ALA A 13 -4.113 -2.601 4.776 1.00 11.44 H new ATOM 0 HB2 ALA A 13 -2.605 -3.455 4.371 1.00 11.44 H new ATOM 0 HB3 ALA A 13 -4.058 -4.379 4.822 1.00 11.44 H new ATOM 198 N ASP A 14 -4.732 -4.519 7.841 1.00 74.24 N ATOM 199 CA ASP A 14 -5.856 -4.605 8.771 1.00 53.24 C ATOM 200 C ASP A 14 -5.527 -3.905 10.083 1.00 12.41 C ATOM 201 O ASP A 14 -6.320 -3.111 10.586 1.00 35.41 O ATOM 202 CB ASP A 14 -6.224 -6.064 9.042 1.00 63.14 C ATOM 203 CG ASP A 14 -7.361 -6.200 10.034 1.00 1.45 C ATOM 204 OD1 ASP A 14 -8.533 -6.081 9.620 1.00 35.43 O ATOM 205 OD2 ASP A 14 -7.090 -6.429 11.232 1.00 22.53 O ATOM 0 H ASP A 14 -4.325 -5.420 7.591 1.00 74.24 H new ATOM 0 HA ASP A 14 -6.709 -4.106 8.310 1.00 53.24 H new ATOM 0 HB2 ASP A 14 -6.504 -6.545 8.105 1.00 63.14 H new ATOM 0 HB3 ASP A 14 -5.349 -6.592 9.422 1.00 63.14 H new ATOM 210 N GLU A 15 -4.348 -4.192 10.629 1.00 34.01 N ATOM 211 CA GLU A 15 -3.921 -3.548 11.862 1.00 73.02 C ATOM 212 C GLU A 15 -3.538 -2.100 11.590 1.00 60.21 C ATOM 213 O GLU A 15 -3.809 -1.219 12.399 1.00 21.04 O ATOM 214 CB GLU A 15 -2.739 -4.275 12.505 1.00 45.51 C ATOM 215 CG GLU A 15 -2.417 -3.750 13.896 1.00 30.33 C ATOM 216 CD GLU A 15 -1.025 -4.107 14.363 1.00 70.15 C ATOM 217 OE1 GLU A 15 -0.079 -3.377 14.020 1.00 12.11 O ATOM 218 OE2 GLU A 15 -0.871 -5.102 15.102 1.00 21.32 O ATOM 0 H GLU A 15 -3.680 -4.858 10.241 1.00 34.01 H new ATOM 0 HA GLU A 15 -4.760 -3.586 12.557 1.00 73.02 H new ATOM 0 HB2 GLU A 15 -2.961 -5.340 12.565 1.00 45.51 H new ATOM 0 HB3 GLU A 15 -1.861 -4.168 11.868 1.00 45.51 H new ATOM 0 HG2 GLU A 15 -2.528 -2.666 13.902 1.00 30.33 H new ATOM 0 HG3 GLU A 15 -3.144 -4.148 14.604 1.00 30.33 H new ATOM 225 N TYR A 16 -2.913 -1.862 10.440 1.00 61.03 N ATOM 226 CA TYR A 16 -2.528 -0.514 10.035 1.00 1.20 C ATOM 227 C TYR A 16 -3.763 0.381 9.967 1.00 33.30 C ATOM 228 O TYR A 16 -3.703 1.572 10.285 1.00 54.42 O ATOM 229 CB TYR A 16 -1.804 -0.547 8.685 1.00 32.14 C ATOM 230 CG TYR A 16 -1.273 0.798 8.239 1.00 11.34 C ATOM 231 CD1 TYR A 16 -0.142 1.350 8.831 1.00 12.44 C ATOM 232 CD2 TYR A 16 -1.899 1.515 7.230 1.00 0.30 C ATOM 233 CE1 TYR A 16 0.343 2.580 8.432 1.00 75.22 C ATOM 234 CE2 TYR A 16 -1.417 2.743 6.823 1.00 11.02 C ATOM 235 CZ TYR A 16 -0.298 3.272 7.427 1.00 11.11 C ATOM 236 OH TYR A 16 0.175 4.500 7.027 1.00 75.55 O ATOM 0 H TYR A 16 -2.662 -2.589 9.770 1.00 61.03 H new ATOM 0 HA TYR A 16 -1.842 -0.104 10.776 1.00 1.20 H new ATOM 0 HB2 TYR A 16 -0.975 -1.252 8.746 1.00 32.14 H new ATOM 0 HB3 TYR A 16 -2.489 -0.926 7.926 1.00 32.14 H new ATOM 0 HD1 TYR A 16 0.365 0.808 9.615 1.00 12.44 H new ATOM 0 HD2 TYR A 16 -2.778 1.106 6.755 1.00 0.30 H new ATOM 0 HE1 TYR A 16 1.220 2.997 8.905 1.00 75.22 H new ATOM 0 HE2 TYR A 16 -1.915 3.287 6.034 1.00 11.02 H new ATOM 0 HH TYR A 16 -0.392 4.851 6.308 1.00 75.55 H new ATOM 246 N PHE A 17 -4.881 -0.211 9.564 1.00 71.04 N ATOM 247 CA PHE A 17 -6.168 0.470 9.583 1.00 14.13 C ATOM 248 C PHE A 17 -6.494 0.911 11.008 1.00 41.12 C ATOM 249 O PHE A 17 -6.780 2.078 11.262 1.00 33.21 O ATOM 250 CB PHE A 17 -7.258 -0.468 9.047 1.00 70.21 C ATOM 251 CG PHE A 17 -8.607 0.176 8.877 1.00 74.13 C ATOM 252 CD1 PHE A 17 -9.484 0.284 9.943 1.00 54.23 C ATOM 253 CD2 PHE A 17 -8.998 0.664 7.644 1.00 11.20 C ATOM 254 CE1 PHE A 17 -10.725 0.870 9.782 1.00 1.03 C ATOM 255 CE2 PHE A 17 -10.237 1.251 7.476 1.00 40.01 C ATOM 256 CZ PHE A 17 -11.102 1.354 8.547 1.00 71.15 C ATOM 0 H PHE A 17 -4.921 -1.169 9.217 1.00 71.04 H new ATOM 0 HA PHE A 17 -6.123 1.353 8.945 1.00 14.13 H new ATOM 0 HB2 PHE A 17 -6.936 -0.866 8.085 1.00 70.21 H new ATOM 0 HB3 PHE A 17 -7.357 -1.315 9.726 1.00 70.21 H new ATOM 0 HD1 PHE A 17 -9.195 -0.094 10.912 1.00 54.23 H new ATOM 0 HD2 PHE A 17 -8.326 0.585 6.802 1.00 11.20 H new ATOM 0 HE1 PHE A 17 -11.399 0.949 10.622 1.00 1.03 H new ATOM 0 HE2 PHE A 17 -10.529 1.629 6.507 1.00 40.01 H new ATOM 0 HZ PHE A 17 -12.071 1.812 8.418 1.00 71.15 H new ATOM 266 N GLU A 18 -6.406 -0.025 11.942 1.00 72.23 N ATOM 267 CA GLU A 18 -6.660 0.265 13.348 1.00 63.34 C ATOM 268 C GLU A 18 -5.622 1.233 13.921 1.00 31.34 C ATOM 269 O GLU A 18 -5.868 1.891 14.930 1.00 40.41 O ATOM 270 CB GLU A 18 -6.679 -1.029 14.164 1.00 22.41 C ATOM 271 CG GLU A 18 -8.076 -1.493 14.552 1.00 35.52 C ATOM 272 CD GLU A 18 -8.972 -1.768 13.361 1.00 74.31 C ATOM 273 OE1 GLU A 18 -8.881 -2.874 12.784 1.00 20.12 O ATOM 274 OE2 GLU A 18 -9.797 -0.893 13.019 1.00 44.11 O ATOM 0 H GLU A 18 -6.160 -0.996 11.751 1.00 72.23 H new ATOM 0 HA GLU A 18 -7.637 0.744 13.414 1.00 63.34 H new ATOM 0 HB2 GLU A 18 -6.192 -1.817 13.589 1.00 22.41 H new ATOM 0 HB3 GLU A 18 -6.090 -0.885 15.070 1.00 22.41 H new ATOM 0 HG2 GLU A 18 -7.996 -2.398 15.154 1.00 35.52 H new ATOM 0 HG3 GLU A 18 -8.542 -0.733 15.180 1.00 35.52 H new ATOM 281 N ARG A 19 -4.459 1.307 13.289 1.00 14.24 N ATOM 282 CA ARG A 19 -3.400 2.206 13.736 1.00 1.50 C ATOM 283 C ARG A 19 -3.702 3.652 13.351 1.00 72.41 C ATOM 284 O ARG A 19 -3.786 4.528 14.210 1.00 24.32 O ATOM 285 CB ARG A 19 -2.046 1.802 13.138 1.00 14.31 C ATOM 286 CG ARG A 19 -1.541 0.443 13.590 1.00 43.52 C ATOM 287 CD ARG A 19 -1.357 0.386 15.097 1.00 64.23 C ATOM 288 NE ARG A 19 -0.814 -0.899 15.533 1.00 14.12 N ATOM 289 CZ ARG A 19 -0.872 -1.344 16.786 1.00 2.31 C ATOM 290 NH1 ARG A 19 -1.459 -0.616 17.731 1.00 74.35 N ATOM 291 NH2 ARG A 19 -0.346 -2.522 17.088 1.00 5.43 N ATOM 0 H ARG A 19 -4.223 0.755 12.464 1.00 14.24 H new ATOM 0 HA ARG A 19 -3.353 2.128 14.822 1.00 1.50 H new ATOM 0 HB2 ARG A 19 -2.128 1.802 12.051 1.00 14.31 H new ATOM 0 HB3 ARG A 19 -1.306 2.557 13.402 1.00 14.31 H new ATOM 0 HG2 ARG A 19 -2.245 -0.329 13.280 1.00 43.52 H new ATOM 0 HG3 ARG A 19 -0.593 0.225 13.099 1.00 43.52 H new ATOM 0 HD2 ARG A 19 -0.689 1.188 15.411 1.00 64.23 H new ATOM 0 HD3 ARG A 19 -2.315 0.560 15.586 1.00 64.23 H new ATOM 0 HE ARG A 19 -0.363 -1.490 14.835 1.00 14.12 H new ATOM 0 HH11 ARG A 19 -1.868 0.289 17.497 1.00 74.35 H new ATOM 0 HH12 ARG A 19 -1.500 -0.962 18.690 1.00 74.35 H new ATOM 0 HH21 ARG A 19 0.100 -3.082 16.362 1.00 5.43 H new ATOM 0 HH22 ARG A 19 -0.387 -2.868 18.047 1.00 5.43 H new ATOM 305 N MET A 20 -3.879 3.891 12.058 1.00 34.22 N ATOM 306 CA MET A 20 -3.974 5.255 11.540 1.00 42.24 C ATOM 307 C MET A 20 -5.403 5.791 11.558 1.00 64.51 C ATOM 308 O MET A 20 -5.613 6.998 11.654 1.00 31.33 O ATOM 309 CB MET A 20 -3.415 5.323 10.118 1.00 71.02 C ATOM 310 CG MET A 20 -1.909 5.133 10.042 1.00 2.52 C ATOM 311 SD MET A 20 -1.003 6.442 10.888 1.00 14.53 S ATOM 312 CE MET A 20 0.687 5.910 10.624 1.00 11.32 C ATOM 0 H MET A 20 -3.960 3.163 11.349 1.00 34.22 H new ATOM 0 HA MET A 20 -3.380 5.886 12.202 1.00 42.24 H new ATOM 0 HB2 MET A 20 -3.899 4.559 9.510 1.00 71.02 H new ATOM 0 HB3 MET A 20 -3.673 6.288 9.682 1.00 71.02 H new ATOM 0 HG2 MET A 20 -1.645 4.171 10.481 1.00 2.52 H new ATOM 0 HG3 MET A 20 -1.603 5.101 8.996 1.00 2.52 H new ATOM 0 HE1 MET A 20 1.369 6.621 11.091 1.00 11.32 H new ATOM 0 HE2 MET A 20 0.831 4.924 11.066 1.00 11.32 H new ATOM 0 HE3 MET A 20 0.890 5.861 9.554 1.00 11.32 H new ATOM 322 N ILE A 21 -6.382 4.905 11.466 1.00 63.11 N ATOM 323 CA ILE A 21 -7.779 5.325 11.447 1.00 0.02 C ATOM 324 C ILE A 21 -8.252 5.658 12.866 1.00 24.34 C ATOM 325 O ILE A 21 -9.165 6.458 13.062 1.00 3.14 O ATOM 326 CB ILE A 21 -8.687 4.254 10.769 1.00 71.23 C ATOM 327 CG1 ILE A 21 -8.521 4.281 9.239 1.00 11.40 C ATOM 328 CG2 ILE A 21 -10.154 4.448 11.125 1.00 42.25 C ATOM 329 CD1 ILE A 21 -7.152 3.866 8.736 1.00 34.33 C ATOM 0 H ILE A 21 -6.240 3.897 11.404 1.00 63.11 H new ATOM 0 HA ILE A 21 -7.859 6.230 10.845 1.00 0.02 H new ATOM 0 HB ILE A 21 -8.368 3.283 11.149 1.00 71.23 H new ATOM 0 HG12 ILE A 21 -9.269 3.624 8.796 1.00 11.40 H new ATOM 0 HG13 ILE A 21 -8.732 5.290 8.883 1.00 11.40 H new ATOM 0 HG21 ILE A 21 -10.752 3.682 10.632 1.00 42.25 H new ATOM 0 HG22 ILE A 21 -10.280 4.368 12.205 1.00 42.25 H new ATOM 0 HG23 ILE A 21 -10.482 5.433 10.793 1.00 42.25 H new ATOM 0 HD11 ILE A 21 -7.133 3.917 7.647 1.00 34.33 H new ATOM 0 HD12 ILE A 21 -6.396 4.537 9.144 1.00 34.33 H new ATOM 0 HD13 ILE A 21 -6.941 2.845 9.055 1.00 34.33 H new ATOM 341 N ALA A 22 -7.590 5.082 13.860 1.00 43.15 N ATOM 342 CA ALA A 22 -7.904 5.389 15.247 1.00 70.33 C ATOM 343 C ALA A 22 -7.304 6.733 15.644 1.00 14.51 C ATOM 344 O ALA A 22 -6.128 6.823 16.001 1.00 63.25 O ATOM 345 CB ALA A 22 -7.407 4.291 16.172 1.00 12.12 C ATOM 0 H ALA A 22 -6.838 4.405 13.733 1.00 43.15 H new ATOM 0 HA ALA A 22 -8.988 5.449 15.344 1.00 70.33 H new ATOM 0 HB1 ALA A 22 -7.654 4.544 17.203 1.00 12.12 H new ATOM 0 HB2 ALA A 22 -7.884 3.348 15.906 1.00 12.12 H new ATOM 0 HB3 ALA A 22 -6.326 4.192 16.072 1.00 12.12 H new ATOM 351 N GLY A 23 -8.114 7.776 15.546 1.00 20.14 N ATOM 352 CA GLY A 23 -7.672 9.108 15.898 1.00 11.40 C ATOM 353 C GLY A 23 -8.508 10.170 15.221 1.00 51.52 C ATOM 354 O GLY A 23 -9.424 10.733 15.822 1.00 71.34 O ATOM 0 H GLY A 23 -9.081 7.721 15.225 1.00 20.14 H new ATOM 0 HA2 GLY A 23 -7.726 9.236 16.979 1.00 11.40 H new ATOM 0 HA3 GLY A 23 -6.627 9.232 15.615 1.00 11.40 H new ATOM 358 N ARG A 24 -8.205 10.429 13.963 1.00 42.51 N ATOM 359 CA ARG A 24 -8.959 11.379 13.165 1.00 44.24 C ATOM 360 C ARG A 24 -9.163 10.785 11.773 1.00 51.22 C ATOM 361 O ARG A 24 -8.285 10.873 10.915 1.00 33.50 O ATOM 362 CB ARG A 24 -8.209 12.714 13.087 1.00 52.35 C ATOM 363 CG ARG A 24 -9.110 13.940 13.065 1.00 50.51 C ATOM 364 CD ARG A 24 -9.871 14.095 14.373 1.00 53.32 C ATOM 365 NE ARG A 24 -10.420 15.442 14.539 1.00 41.44 N ATOM 366 CZ ARG A 24 -11.198 15.810 15.560 1.00 14.55 C ATOM 367 NH1 ARG A 24 -11.583 14.918 16.465 1.00 63.30 N ATOM 368 NH2 ARG A 24 -11.599 17.071 15.668 1.00 45.12 N ATOM 0 H ARG A 24 -7.431 9.988 13.466 1.00 42.51 H new ATOM 0 HA ARG A 24 -9.929 11.570 13.623 1.00 44.24 H new ATOM 0 HB2 ARG A 24 -7.535 12.789 13.940 1.00 52.35 H new ATOM 0 HB3 ARG A 24 -7.590 12.717 12.190 1.00 52.35 H new ATOM 0 HG2 ARG A 24 -8.509 14.831 12.884 1.00 50.51 H new ATOM 0 HG3 ARG A 24 -9.817 13.859 12.239 1.00 50.51 H new ATOM 0 HD2 ARG A 24 -10.682 13.368 14.408 1.00 53.32 H new ATOM 0 HD3 ARG A 24 -9.206 13.871 15.207 1.00 53.32 H new ATOM 0 HE ARG A 24 -10.195 16.142 13.832 1.00 41.44 H new ATOM 0 HH11 ARG A 24 -11.284 13.946 16.382 1.00 63.30 H new ATOM 0 HH12 ARG A 24 -12.177 15.205 17.243 1.00 63.30 H new ATOM 0 HH21 ARG A 24 -11.313 17.759 14.971 1.00 45.12 H new ATOM 0 HH22 ARG A 24 -12.193 17.352 16.448 1.00 45.12 H new ATOM 382 N TRP A 25 -10.305 10.142 11.573 1.00 32.03 N ATOM 383 CA TRP A 25 -10.535 9.367 10.360 1.00 23.45 C ATOM 384 C TRP A 25 -11.734 9.885 9.564 1.00 70.32 C ATOM 385 O TRP A 25 -11.653 10.033 8.342 1.00 11.23 O ATOM 386 CB TRP A 25 -10.743 7.891 10.731 1.00 33.24 C ATOM 387 CG TRP A 25 -11.982 7.634 11.549 1.00 41.12 C ATOM 388 CD1 TRP A 25 -13.143 7.079 11.104 1.00 75.21 C ATOM 389 CD2 TRP A 25 -12.194 7.937 12.939 1.00 34.12 C ATOM 390 NE1 TRP A 25 -14.064 7.020 12.120 1.00 35.21 N ATOM 391 CE2 TRP A 25 -13.505 7.535 13.256 1.00 24.24 C ATOM 392 CE3 TRP A 25 -11.405 8.503 13.946 1.00 4.45 C ATOM 393 CZ2 TRP A 25 -14.045 7.688 14.530 1.00 74.10 C ATOM 394 CZ3 TRP A 25 -11.942 8.653 15.210 1.00 52.22 C ATOM 395 CH2 TRP A 25 -13.249 8.244 15.492 1.00 4.11 C ATOM 0 H TRP A 25 -11.084 10.141 12.231 1.00 32.03 H new ATOM 0 HA TRP A 25 -9.657 9.471 9.722 1.00 23.45 H new ATOM 0 HB2 TRP A 25 -10.795 7.301 9.816 1.00 33.24 H new ATOM 0 HB3 TRP A 25 -9.874 7.541 11.287 1.00 33.24 H new ATOM 0 HD1 TRP A 25 -13.315 6.734 10.095 1.00 75.21 H new ATOM 0 HE1 TRP A 25 -15.012 6.652 12.040 1.00 35.21 H new ATOM 0 HE3 TRP A 25 -10.393 8.818 13.739 1.00 4.45 H new ATOM 0 HZ2 TRP A 25 -15.056 7.379 14.750 1.00 74.10 H new ATOM 0 HZ3 TRP A 25 -11.343 9.093 15.993 1.00 52.22 H new ATOM 0 HH2 TRP A 25 -13.638 8.370 16.492 1.00 4.11 H new ATOM 406 N LYS A 26 -12.845 10.140 10.264 1.00 43.12 N ATOM 407 CA LYS A 26 -14.081 10.654 9.673 1.00 10.12 C ATOM 408 C LYS A 26 -14.795 9.640 8.759 1.00 62.43 C ATOM 409 O LYS A 26 -16.020 9.539 8.787 1.00 31.30 O ATOM 410 CB LYS A 26 -13.810 11.952 8.911 1.00 75.12 C ATOM 411 CG LYS A 26 -15.053 12.786 8.652 1.00 41.42 C ATOM 412 CD LYS A 26 -15.609 13.397 9.935 1.00 52.31 C ATOM 413 CE LYS A 26 -16.363 12.385 10.789 1.00 70.14 C ATOM 414 NZ LYS A 26 -17.051 13.030 11.936 1.00 63.55 N ATOM 0 H LYS A 26 -12.909 9.992 11.271 1.00 43.12 H new ATOM 0 HA LYS A 26 -14.757 10.849 10.506 1.00 10.12 H new ATOM 0 HB2 LYS A 26 -13.094 12.550 9.475 1.00 75.12 H new ATOM 0 HB3 LYS A 26 -13.341 11.710 7.957 1.00 75.12 H new ATOM 0 HG2 LYS A 26 -14.815 13.581 7.945 1.00 41.42 H new ATOM 0 HG3 LYS A 26 -15.817 12.163 8.186 1.00 41.42 H new ATOM 0 HD2 LYS A 26 -14.789 13.818 10.517 1.00 52.31 H new ATOM 0 HD3 LYS A 26 -16.276 14.221 9.681 1.00 52.31 H new ATOM 0 HE2 LYS A 26 -17.096 11.864 10.172 1.00 70.14 H new ATOM 0 HE3 LYS A 26 -15.667 11.633 11.160 1.00 70.14 H new ATOM 0 HZ1 LYS A 26 -17.552 12.307 12.491 1.00 63.55 H new ATOM 0 HZ2 LYS A 26 -16.349 13.505 12.539 1.00 63.55 H new ATOM 0 HZ3 LYS A 26 -17.734 13.730 11.582 1.00 63.55 H new ATOM 428 N HIS A 27 -14.041 8.882 7.973 1.00 45.53 N ATOM 429 CA HIS A 27 -14.626 8.009 6.957 1.00 62.41 C ATOM 430 C HIS A 27 -13.852 6.695 6.828 1.00 61.22 C ATOM 431 O HIS A 27 -12.933 6.571 6.014 1.00 43.50 O ATOM 432 CB HIS A 27 -14.714 8.723 5.596 1.00 4.32 C ATOM 433 CG HIS A 27 -13.489 9.510 5.211 1.00 44.50 C ATOM 434 ND1 HIS A 27 -12.287 8.933 4.863 1.00 71.40 N ATOM 435 CD2 HIS A 27 -13.299 10.846 5.113 1.00 53.11 C ATOM 436 CE1 HIS A 27 -11.414 9.878 4.567 1.00 12.30 C ATOM 437 NE2 HIS A 27 -12.002 11.050 4.710 1.00 75.41 N ATOM 0 H HIS A 27 -13.022 8.852 8.018 1.00 45.53 H new ATOM 0 HA HIS A 27 -15.638 7.768 7.283 1.00 62.41 H new ATOM 0 HB2 HIS A 27 -14.907 7.978 4.824 1.00 4.32 H new ATOM 0 HB3 HIS A 27 -15.571 9.397 5.611 1.00 4.32 H new ATOM 0 HD1 HIS A 27 -12.101 7.930 4.838 1.00 71.40 H new ATOM 0 HD2 HIS A 27 -14.033 11.612 5.315 1.00 53.11 H new ATOM 0 HE1 HIS A 27 -10.391 9.718 4.260 1.00 12.30 H new ATOM 446 N PRO A 28 -14.210 5.702 7.653 1.00 2.45 N ATOM 447 CA PRO A 28 -13.533 4.398 7.693 1.00 32.25 C ATOM 448 C PRO A 28 -13.814 3.553 6.453 1.00 45.24 C ATOM 449 O PRO A 28 -12.973 2.764 6.021 1.00 61.04 O ATOM 450 CB PRO A 28 -14.118 3.718 8.940 1.00 74.00 C ATOM 451 CG PRO A 28 -14.871 4.784 9.661 1.00 33.52 C ATOM 452 CD PRO A 28 -15.311 5.762 8.620 1.00 45.12 C ATOM 0 HA PRO A 28 -12.449 4.513 7.722 1.00 32.25 H new ATOM 0 HB2 PRO A 28 -14.774 2.892 8.665 1.00 74.00 H new ATOM 0 HB3 PRO A 28 -13.329 3.303 9.567 1.00 74.00 H new ATOM 0 HG2 PRO A 28 -15.728 4.366 10.189 1.00 33.52 H new ATOM 0 HG3 PRO A 28 -14.242 5.268 10.408 1.00 33.52 H new ATOM 0 HD2 PRO A 28 -16.263 5.478 8.171 1.00 45.12 H new ATOM 0 HD3 PRO A 28 -15.438 6.764 9.030 1.00 45.12 H new ATOM 460 N ASN A 29 -14.995 3.728 5.886 1.00 11.44 N ATOM 461 CA ASN A 29 -15.394 2.986 4.696 1.00 53.22 C ATOM 462 C ASN A 29 -14.537 3.373 3.491 1.00 54.41 C ATOM 463 O ASN A 29 -14.023 2.507 2.785 1.00 5.54 O ATOM 464 CB ASN A 29 -16.888 3.199 4.390 1.00 1.03 C ATOM 465 CG ASN A 29 -17.354 4.644 4.555 1.00 65.12 C ATOM 466 OD1 ASN A 29 -16.574 5.591 4.444 1.00 60.34 O ATOM 467 ND2 ASN A 29 -18.641 4.821 4.813 1.00 63.54 N ATOM 0 H ASN A 29 -15.700 4.380 6.230 1.00 11.44 H new ATOM 0 HA ASN A 29 -15.234 1.927 4.897 1.00 53.22 H new ATOM 0 HB2 ASN A 29 -17.089 2.877 3.368 1.00 1.03 H new ATOM 0 HB3 ASN A 29 -17.478 2.560 5.047 1.00 1.03 H new ATOM 0 HD21 ASN A 29 -19.014 5.764 4.926 1.00 63.54 H new ATOM 0 HD22 ASN A 29 -19.260 4.015 4.899 1.00 63.54 H new ATOM 474 N ILE A 30 -14.365 4.671 3.284 1.00 74.02 N ATOM 475 CA ILE A 30 -13.590 5.182 2.159 1.00 64.02 C ATOM 476 C ILE A 30 -12.147 4.686 2.209 1.00 53.14 C ATOM 477 O ILE A 30 -11.624 4.176 1.219 1.00 73.55 O ATOM 478 CB ILE A 30 -13.600 6.729 2.128 1.00 71.04 C ATOM 479 CG1 ILE A 30 -15.035 7.263 2.048 1.00 53.33 C ATOM 480 CG2 ILE A 30 -12.775 7.252 0.961 1.00 62.14 C ATOM 481 CD1 ILE A 30 -15.793 6.805 0.818 1.00 41.31 C ATOM 0 H ILE A 30 -14.755 5.396 3.886 1.00 74.02 H new ATOM 0 HA ILE A 30 -14.062 4.806 1.251 1.00 64.02 H new ATOM 0 HB ILE A 30 -13.151 7.086 3.055 1.00 71.04 H new ATOM 0 HG12 ILE A 30 -15.580 6.947 2.937 1.00 53.33 H new ATOM 0 HG13 ILE A 30 -15.008 8.353 2.061 1.00 53.33 H new ATOM 0 HG21 ILE A 30 -12.797 8.342 0.960 1.00 62.14 H new ATOM 0 HG22 ILE A 30 -11.745 6.910 1.061 1.00 62.14 H new ATOM 0 HG23 ILE A 30 -13.192 6.880 0.025 1.00 62.14 H new ATOM 0 HD11 ILE A 30 -16.799 7.224 0.834 1.00 41.31 H new ATOM 0 HD12 ILE A 30 -15.272 7.144 -0.078 1.00 41.31 H new ATOM 0 HD13 ILE A 30 -15.853 5.717 0.812 1.00 41.31 H new ATOM 493 N VAL A 31 -11.515 4.814 3.371 1.00 21.34 N ATOM 494 CA VAL A 31 -10.115 4.439 3.509 1.00 61.54 C ATOM 495 C VAL A 31 -9.938 2.924 3.370 1.00 43.14 C ATOM 496 O VAL A 31 -8.965 2.465 2.779 1.00 13.13 O ATOM 497 CB VAL A 31 -9.507 4.943 4.844 1.00 32.24 C ATOM 498 CG1 VAL A 31 -10.214 4.339 6.042 1.00 50.04 C ATOM 499 CG2 VAL A 31 -8.012 4.657 4.900 1.00 41.33 C ATOM 0 H VAL A 31 -11.947 5.171 4.223 1.00 21.34 H new ATOM 0 HA VAL A 31 -9.571 4.926 2.700 1.00 61.54 H new ATOM 0 HB VAL A 31 -9.653 6.022 4.884 1.00 32.24 H new ATOM 0 HG11 VAL A 31 -9.761 4.715 6.959 1.00 50.04 H new ATOM 0 HG12 VAL A 31 -11.269 4.614 6.019 1.00 50.04 H new ATOM 0 HG13 VAL A 31 -10.121 3.253 6.010 1.00 50.04 H new ATOM 0 HG21 VAL A 31 -7.607 5.019 5.845 1.00 41.33 H new ATOM 0 HG22 VAL A 31 -7.844 3.583 4.821 1.00 41.33 H new ATOM 0 HG23 VAL A 31 -7.513 5.164 4.074 1.00 41.33 H new ATOM 509 N ARG A 32 -10.898 2.151 3.876 1.00 61.23 N ATOM 510 CA ARG A 32 -10.836 0.695 3.767 1.00 0.31 C ATOM 511 C ARG A 32 -10.914 0.267 2.307 1.00 45.04 C ATOM 512 O ARG A 32 -10.140 -0.579 1.860 1.00 65.21 O ATOM 513 CB ARG A 32 -11.965 0.043 4.568 1.00 1.23 C ATOM 514 CG ARG A 32 -11.943 -1.482 4.547 1.00 74.54 C ATOM 515 CD ARG A 32 -10.640 -2.035 5.108 1.00 65.24 C ATOM 516 NE ARG A 32 -10.672 -3.490 5.232 1.00 61.55 N ATOM 517 CZ ARG A 32 -9.859 -4.195 6.020 1.00 61.24 C ATOM 518 NH1 ARG A 32 -8.910 -3.587 6.725 1.00 5.22 N ATOM 519 NH2 ARG A 32 -10.005 -5.510 6.102 1.00 13.22 N ATOM 0 H ARG A 32 -11.722 2.506 4.362 1.00 61.23 H new ATOM 0 HA ARG A 32 -9.883 0.364 4.180 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -11.905 0.382 5.602 1.00 1.23 H new ATOM 0 HB3 ARG A 32 -12.921 0.387 4.174 1.00 1.23 H new ATOM 0 HG2 ARG A 32 -12.781 -1.866 5.128 1.00 74.54 H new ATOM 0 HG3 ARG A 32 -12.077 -1.834 3.524 1.00 74.54 H new ATOM 0 HD2 ARG A 32 -9.814 -1.744 4.459 1.00 65.24 H new ATOM 0 HD3 ARG A 32 -10.449 -1.592 6.085 1.00 65.24 H new ATOM 0 HE ARG A 32 -11.361 -4.000 4.680 1.00 61.55 H new ATOM 0 HH11 ARG A 32 -8.800 -2.575 6.665 1.00 5.22 H new ATOM 0 HH12 ARG A 32 -8.292 -4.133 7.326 1.00 5.22 H new ATOM 0 HH21 ARG A 32 -10.736 -5.977 5.564 1.00 13.22 H new ATOM 0 HH22 ARG A 32 -9.387 -6.055 6.703 1.00 13.22 H new ATOM 533 N SER A 33 -11.844 0.863 1.570 1.00 74.11 N ATOM 534 CA SER A 33 -12.001 0.569 0.154 1.00 30.13 C ATOM 535 C SER A 33 -10.737 0.936 -0.618 1.00 2.43 C ATOM 536 O SER A 33 -10.273 0.170 -1.458 1.00 12.22 O ATOM 537 CB SER A 33 -13.201 1.327 -0.409 1.00 64.21 C ATOM 538 OG SER A 33 -14.397 0.933 0.243 1.00 64.40 O ATOM 0 H SER A 33 -12.501 1.554 1.932 1.00 74.11 H new ATOM 0 HA SER A 33 -12.172 -0.502 0.041 1.00 30.13 H new ATOM 0 HB2 SER A 33 -13.050 2.399 -0.285 1.00 64.21 H new ATOM 0 HB3 SER A 33 -13.286 1.139 -1.479 1.00 64.21 H new ATOM 0 HG SER A 33 -14.448 1.364 1.122 1.00 64.40 H new ATOM 544 N ARG A 34 -10.175 2.101 -0.314 1.00 2.00 N ATOM 545 CA ARG A 34 -8.966 2.559 -0.986 1.00 13.43 C ATOM 546 C ARG A 34 -7.790 1.635 -0.707 1.00 33.22 C ATOM 547 O ARG A 34 -7.018 1.317 -1.608 1.00 72.24 O ATOM 548 CB ARG A 34 -8.636 3.993 -0.580 1.00 63.31 C ATOM 549 CG ARG A 34 -9.481 5.015 -1.317 1.00 11.12 C ATOM 550 CD ARG A 34 -9.331 4.837 -2.818 1.00 3.33 C ATOM 551 NE ARG A 34 -10.147 5.772 -3.588 1.00 3.43 N ATOM 552 CZ ARG A 34 -9.892 6.107 -4.851 1.00 60.33 C ATOM 553 NH1 ARG A 34 -8.836 5.597 -5.483 1.00 64.33 N ATOM 554 NH2 ARG A 34 -10.696 6.952 -5.485 1.00 40.32 N ATOM 0 H ARG A 34 -10.536 2.743 0.391 1.00 2.00 H new ATOM 0 HA ARG A 34 -9.154 2.538 -2.059 1.00 13.43 H new ATOM 0 HB2 ARG A 34 -8.788 4.107 0.493 1.00 63.31 H new ATOM 0 HB3 ARG A 34 -7.582 4.189 -0.776 1.00 63.31 H new ATOM 0 HG2 ARG A 34 -10.528 4.904 -1.033 1.00 11.12 H new ATOM 0 HG3 ARG A 34 -9.178 6.022 -1.031 1.00 11.12 H new ATOM 0 HD2 ARG A 34 -8.284 4.967 -3.091 1.00 3.33 H new ATOM 0 HD3 ARG A 34 -9.606 3.817 -3.087 1.00 3.33 H new ATOM 0 HE ARG A 34 -10.957 6.192 -3.133 1.00 3.43 H new ATOM 0 HH11 ARG A 34 -8.218 4.946 -4.999 1.00 64.33 H new ATOM 0 HH12 ARG A 34 -8.646 5.858 -6.451 1.00 64.33 H new ATOM 0 HH21 ARG A 34 -11.506 7.343 -5.004 1.00 40.32 H new ATOM 0 HH22 ARG A 34 -10.503 7.211 -6.453 1.00 40.32 H new ATOM 568 N ILE A 35 -7.666 1.189 0.534 1.00 31.01 N ATOM 569 CA ILE A 35 -6.618 0.245 0.895 1.00 21.22 C ATOM 570 C ILE A 35 -6.744 -1.040 0.077 1.00 14.43 C ATOM 571 O ILE A 35 -5.769 -1.513 -0.501 1.00 32.22 O ATOM 572 CB ILE A 35 -6.644 -0.096 2.405 1.00 73.12 C ATOM 573 CG1 ILE A 35 -6.272 1.137 3.233 1.00 23.15 C ATOM 574 CG2 ILE A 35 -5.695 -1.248 2.714 1.00 33.21 C ATOM 575 CD1 ILE A 35 -6.360 0.917 4.729 1.00 71.04 C ATOM 0 H ILE A 35 -8.275 1.464 1.305 1.00 31.01 H new ATOM 0 HA ILE A 35 -5.665 0.725 0.671 1.00 21.22 H new ATOM 0 HB ILE A 35 -7.655 -0.405 2.671 1.00 73.12 H new ATOM 0 HG12 ILE A 35 -5.257 1.441 2.979 1.00 23.15 H new ATOM 0 HG13 ILE A 35 -6.930 1.961 2.957 1.00 23.15 H new ATOM 0 HG21 ILE A 35 -5.729 -1.471 3.780 1.00 33.21 H new ATOM 0 HG22 ILE A 35 -5.997 -2.130 2.149 1.00 33.21 H new ATOM 0 HG23 ILE A 35 -4.679 -0.968 2.434 1.00 33.21 H new ATOM 0 HD11 ILE A 35 -6.082 1.834 5.249 1.00 71.04 H new ATOM 0 HD12 ILE A 35 -7.380 0.643 4.997 1.00 71.04 H new ATOM 0 HD13 ILE A 35 -5.681 0.115 5.019 1.00 71.04 H new ATOM 587 N GLU A 36 -7.953 -1.577 -0.007 1.00 44.33 N ATOM 588 CA GLU A 36 -8.164 -2.863 -0.662 1.00 13.52 C ATOM 589 C GLU A 36 -8.248 -2.739 -2.181 1.00 10.24 C ATOM 590 O GLU A 36 -8.335 -3.747 -2.884 1.00 50.53 O ATOM 591 CB GLU A 36 -9.420 -3.542 -0.123 1.00 51.20 C ATOM 592 CG GLU A 36 -9.360 -3.812 1.369 1.00 32.31 C ATOM 593 CD GLU A 36 -10.300 -4.915 1.794 1.00 41.42 C ATOM 594 OE1 GLU A 36 -9.917 -6.098 1.670 1.00 50.41 O ATOM 595 OE2 GLU A 36 -11.426 -4.608 2.241 1.00 73.14 O ATOM 0 H GLU A 36 -8.799 -1.147 0.367 1.00 44.33 H new ATOM 0 HA GLU A 36 -7.294 -3.478 -0.433 1.00 13.52 H new ATOM 0 HB2 GLU A 36 -10.285 -2.914 -0.338 1.00 51.20 H new ATOM 0 HB3 GLU A 36 -9.571 -4.484 -0.650 1.00 51.20 H new ATOM 0 HG2 GLU A 36 -8.341 -4.081 1.646 1.00 32.31 H new ATOM 0 HG3 GLU A 36 -9.607 -2.899 1.911 1.00 32.31 H new ATOM 602 N LYS A 37 -8.234 -1.516 -2.684 1.00 22.22 N ATOM 603 CA LYS A 37 -8.302 -1.293 -4.122 1.00 33.25 C ATOM 604 C LYS A 37 -6.972 -0.765 -4.676 1.00 64.20 C ATOM 605 O LYS A 37 -6.455 -1.289 -5.665 1.00 40.41 O ATOM 606 CB LYS A 37 -9.464 -0.340 -4.450 1.00 61.14 C ATOM 607 CG LYS A 37 -9.536 0.074 -5.910 1.00 52.24 C ATOM 608 CD LYS A 37 -8.816 1.389 -6.138 1.00 41.23 C ATOM 609 CE LYS A 37 -8.424 1.567 -7.589 1.00 14.21 C ATOM 610 NZ LYS A 37 -7.790 2.890 -7.827 1.00 2.15 N ATOM 0 H LYS A 37 -8.177 -0.666 -2.124 1.00 22.22 H new ATOM 0 HA LYS A 37 -8.489 -2.250 -4.609 1.00 33.25 H new ATOM 0 HB2 LYS A 37 -10.402 -0.821 -4.173 1.00 61.14 H new ATOM 0 HB3 LYS A 37 -9.370 0.555 -3.834 1.00 61.14 H new ATOM 0 HG2 LYS A 37 -9.091 -0.701 -6.534 1.00 52.24 H new ATOM 0 HG3 LYS A 37 -10.578 0.169 -6.214 1.00 52.24 H new ATOM 0 HD2 LYS A 37 -9.459 2.214 -5.831 1.00 41.23 H new ATOM 0 HD3 LYS A 37 -7.924 1.429 -5.512 1.00 41.23 H new ATOM 0 HE2 LYS A 37 -7.734 0.775 -7.880 1.00 14.21 H new ATOM 0 HE3 LYS A 37 -9.307 1.468 -8.220 1.00 14.21 H new ATOM 0 HZ1 LYS A 37 -7.720 3.062 -8.850 1.00 2.15 H new ATOM 0 HZ2 LYS A 37 -8.368 3.636 -7.389 1.00 2.15 H new ATOM 0 HZ3 LYS A 37 -6.838 2.899 -7.409 1.00 2.15 H new ATOM 624 N ASP A 38 -6.430 0.274 -4.048 1.00 3.52 N ATOM 625 CA ASP A 38 -5.187 0.891 -4.515 1.00 4.22 C ATOM 626 C ASP A 38 -3.962 0.235 -3.885 1.00 34.23 C ATOM 627 O ASP A 38 -2.954 0.019 -4.556 1.00 4.13 O ATOM 628 CB ASP A 38 -5.170 2.398 -4.211 1.00 73.34 C ATOM 629 CG ASP A 38 -6.111 3.195 -5.094 1.00 62.25 C ATOM 630 OD1 ASP A 38 -5.791 3.400 -6.282 1.00 51.12 O ATOM 631 OD2 ASP A 38 -7.183 3.620 -4.612 1.00 30.32 O ATOM 0 H ASP A 38 -6.829 0.708 -3.216 1.00 3.52 H new ATOM 0 HA ASP A 38 -5.146 0.741 -5.594 1.00 4.22 H new ATOM 0 HB2 ASP A 38 -5.441 2.555 -3.167 1.00 73.34 H new ATOM 0 HB3 ASP A 38 -4.156 2.776 -4.337 1.00 73.34 H new ATOM 636 N ILE A 39 -4.047 -0.084 -2.598 1.00 1.44 N ATOM 637 CA ILE A 39 -2.903 -0.638 -1.872 1.00 4.10 C ATOM 638 C ILE A 39 -2.733 -2.133 -2.157 1.00 13.23 C ATOM 639 O ILE A 39 -1.631 -2.592 -2.458 1.00 44.40 O ATOM 640 CB ILE A 39 -3.007 -0.396 -0.339 1.00 62.42 C ATOM 641 CG1 ILE A 39 -2.740 1.078 0.010 1.00 5.04 C ATOM 642 CG2 ILE A 39 -2.043 -1.293 0.426 1.00 72.51 C ATOM 643 CD1 ILE A 39 -3.833 2.036 -0.417 1.00 62.24 C ATOM 0 H ILE A 39 -4.890 0.030 -2.036 1.00 1.44 H new ATOM 0 HA ILE A 39 -2.022 -0.109 -2.235 1.00 4.10 H new ATOM 0 HB ILE A 39 -4.025 -0.645 -0.040 1.00 62.42 H new ATOM 0 HG12 ILE A 39 -2.601 1.163 1.088 1.00 5.04 H new ATOM 0 HG13 ILE A 39 -1.804 1.384 -0.457 1.00 5.04 H new ATOM 0 HG21 ILE A 39 -2.138 -1.101 1.495 1.00 72.51 H new ATOM 0 HG22 ILE A 39 -2.278 -2.338 0.222 1.00 72.51 H new ATOM 0 HG23 ILE A 39 -1.021 -1.083 0.109 1.00 72.51 H new ATOM 0 HD11 ILE A 39 -3.559 3.051 -0.130 1.00 62.24 H new ATOM 0 HD12 ILE A 39 -3.959 1.986 -1.499 1.00 62.24 H new ATOM 0 HD13 ILE A 39 -4.769 1.761 0.070 1.00 62.24 H new ATOM 655 N LYS A 40 -3.824 -2.889 -2.079 1.00 50.23 N ATOM 656 CA LYS A 40 -3.779 -4.326 -2.358 1.00 53.05 C ATOM 657 C LYS A 40 -4.669 -4.701 -3.549 1.00 13.23 C ATOM 658 O LYS A 40 -5.719 -5.321 -3.379 1.00 1.40 O ATOM 659 CB LYS A 40 -4.189 -5.138 -1.115 1.00 42.22 C ATOM 660 CG LYS A 40 -5.375 -4.551 -0.371 1.00 53.21 C ATOM 661 CD LYS A 40 -6.008 -5.535 0.605 1.00 14.54 C ATOM 662 CE LYS A 40 -6.743 -6.650 -0.124 1.00 33.11 C ATOM 663 NZ LYS A 40 -7.720 -7.351 0.754 1.00 52.41 N ATOM 0 H LYS A 40 -4.747 -2.536 -1.827 1.00 50.23 H new ATOM 0 HA LYS A 40 -2.749 -4.572 -2.617 1.00 53.05 H new ATOM 0 HB2 LYS A 40 -4.430 -6.157 -1.420 1.00 42.22 H new ATOM 0 HB3 LYS A 40 -3.339 -5.201 -0.435 1.00 42.22 H new ATOM 0 HG2 LYS A 40 -5.053 -3.663 0.173 1.00 53.21 H new ATOM 0 HG3 LYS A 40 -6.126 -4.228 -1.092 1.00 53.21 H new ATOM 0 HD2 LYS A 40 -5.235 -5.964 1.243 1.00 14.54 H new ATOM 0 HD3 LYS A 40 -6.703 -5.006 1.257 1.00 14.54 H new ATOM 0 HE2 LYS A 40 -7.265 -6.235 -0.986 1.00 33.11 H new ATOM 0 HE3 LYS A 40 -6.019 -7.370 -0.506 1.00 33.11 H new ATOM 0 HZ1 LYS A 40 -8.279 -8.020 0.187 1.00 52.41 H new ATOM 0 HZ2 LYS A 40 -7.209 -7.869 1.497 1.00 52.41 H new ATOM 0 HZ3 LYS A 40 -8.355 -6.654 1.192 1.00 52.41 H new ATOM 677 N PRO A 41 -4.268 -4.324 -4.778 1.00 43.24 N ATOM 678 CA PRO A 41 -5.016 -4.657 -5.988 1.00 24.30 C ATOM 679 C PRO A 41 -4.749 -6.088 -6.444 1.00 2.41 C ATOM 680 O PRO A 41 -5.676 -6.861 -6.678 1.00 61.45 O ATOM 681 CB PRO A 41 -4.497 -3.659 -7.038 1.00 0.44 C ATOM 682 CG PRO A 41 -3.512 -2.782 -6.327 1.00 34.30 C ATOM 683 CD PRO A 41 -3.080 -3.532 -5.099 1.00 72.43 C ATOM 0 HA PRO A 41 -6.092 -4.592 -5.827 1.00 24.30 H new ATOM 0 HB2 PRO A 41 -4.025 -4.180 -7.871 1.00 0.44 H new ATOM 0 HB3 PRO A 41 -5.315 -3.070 -7.453 1.00 0.44 H new ATOM 0 HG2 PRO A 41 -2.658 -2.561 -6.967 1.00 34.30 H new ATOM 0 HG3 PRO A 41 -3.965 -1.828 -6.059 1.00 34.30 H new ATOM 0 HD2 PRO A 41 -2.212 -4.162 -5.293 1.00 72.43 H new ATOM 0 HD3 PRO A 41 -2.809 -2.858 -4.286 1.00 72.43 H new ATOM 691 N ALA A 42 -3.472 -6.437 -6.570 1.00 71.12 N ATOM 692 CA ALA A 42 -3.081 -7.777 -6.986 1.00 71.15 C ATOM 693 C ALA A 42 -2.149 -8.402 -5.960 1.00 31.14 C ATOM 694 O ALA A 42 -1.465 -9.390 -6.235 1.00 2.13 O ATOM 695 CB ALA A 42 -2.420 -7.737 -8.358 1.00 72.40 C ATOM 0 H ALA A 42 -2.690 -5.808 -6.389 1.00 71.12 H new ATOM 0 HA ALA A 42 -3.977 -8.393 -7.055 1.00 71.15 H new ATOM 0 HB1 ALA A 42 -2.134 -8.746 -8.654 1.00 72.40 H new ATOM 0 HB2 ALA A 42 -3.120 -7.330 -9.087 1.00 72.40 H new ATOM 0 HB3 ALA A 42 -1.532 -7.106 -8.316 1.00 72.40 H new ATOM 701 N ILE A 43 -2.143 -7.821 -4.770 1.00 21.42 N ATOM 702 CA ILE A 43 -1.290 -8.279 -3.683 1.00 52.51 C ATOM 703 C ILE A 43 -2.043 -8.215 -2.356 1.00 42.30 C ATOM 704 O ILE A 43 -1.809 -7.338 -1.532 1.00 33.24 O ATOM 705 CB ILE A 43 0.010 -7.446 -3.590 1.00 75.04 C ATOM 706 CG1 ILE A 43 -0.297 -5.957 -3.781 1.00 3.31 C ATOM 707 CG2 ILE A 43 1.023 -7.921 -4.622 1.00 52.14 C ATOM 708 CD1 ILE A 43 0.876 -5.047 -3.489 1.00 13.53 C ATOM 0 H ILE A 43 -2.728 -7.020 -4.530 1.00 21.42 H new ATOM 0 HA ILE A 43 -1.015 -9.312 -3.894 1.00 52.51 H new ATOM 0 HB ILE A 43 0.441 -7.585 -2.599 1.00 75.04 H new ATOM 0 HG12 ILE A 43 -0.625 -5.792 -4.807 1.00 3.31 H new ATOM 0 HG13 ILE A 43 -1.128 -5.681 -3.132 1.00 3.31 H new ATOM 0 HG21 ILE A 43 1.931 -7.324 -4.542 1.00 52.14 H new ATOM 0 HG22 ILE A 43 1.261 -8.969 -4.442 1.00 52.14 H new ATOM 0 HG23 ILE A 43 0.603 -7.811 -5.622 1.00 52.14 H new ATOM 0 HD11 ILE A 43 0.580 -4.010 -3.647 1.00 13.53 H new ATOM 0 HD12 ILE A 43 1.192 -5.181 -2.454 1.00 13.53 H new ATOM 0 HD13 ILE A 43 1.703 -5.294 -4.155 1.00 13.53 H new ATOM 720 N GLY A 44 -2.977 -9.137 -2.176 1.00 54.13 N ATOM 721 CA GLY A 44 -3.765 -9.170 -0.962 1.00 52.14 C ATOM 722 C GLY A 44 -3.460 -10.395 -0.131 1.00 54.04 C ATOM 723 O GLY A 44 -3.353 -10.316 1.091 1.00 44.40 O ATOM 0 H GLY A 44 -3.204 -9.866 -2.853 1.00 54.13 H new ATOM 0 HA2 GLY A 44 -3.567 -8.273 -0.375 1.00 52.14 H new ATOM 0 HA3 GLY A 44 -4.825 -9.157 -1.216 1.00 52.14 H new ATOM 727 N SER A 45 -3.302 -11.528 -0.801 1.00 52.42 N ATOM 728 CA SER A 45 -2.982 -12.780 -0.130 1.00 11.35 C ATOM 729 C SER A 45 -1.469 -12.995 -0.128 1.00 74.50 C ATOM 730 O SER A 45 -0.974 -14.108 0.065 1.00 54.14 O ATOM 731 CB SER A 45 -3.689 -13.935 -0.837 1.00 20.55 C ATOM 732 OG SER A 45 -5.048 -13.609 -1.092 1.00 22.52 O ATOM 0 H SER A 45 -3.391 -11.606 -1.814 1.00 52.42 H new ATOM 0 HA SER A 45 -3.326 -12.739 0.903 1.00 11.35 H new ATOM 0 HB2 SER A 45 -3.181 -14.160 -1.775 1.00 20.55 H new ATOM 0 HB3 SER A 45 -3.634 -14.833 -0.222 1.00 20.55 H new ATOM 0 HG SER A 45 -5.485 -14.359 -1.547 1.00 22.52 H new ATOM 738 N LEU A 46 -0.744 -11.907 -0.337 1.00 11.22 N ATOM 739 CA LEU A 46 0.707 -11.934 -0.378 1.00 34.21 C ATOM 740 C LEU A 46 1.273 -11.714 1.022 1.00 32.01 C ATOM 741 O LEU A 46 0.817 -10.832 1.749 1.00 35.31 O ATOM 742 CB LEU A 46 1.210 -10.842 -1.328 1.00 43.31 C ATOM 743 CG LEU A 46 2.708 -10.870 -1.625 1.00 45.43 C ATOM 744 CD1 LEU A 46 3.046 -12.029 -2.551 1.00 10.02 C ATOM 745 CD2 LEU A 46 3.160 -9.550 -2.228 1.00 53.41 C ATOM 0 H LEU A 46 -1.146 -10.981 -0.483 1.00 11.22 H new ATOM 0 HA LEU A 46 1.041 -12.907 -0.740 1.00 34.21 H new ATOM 0 HB2 LEU A 46 0.669 -10.926 -2.270 1.00 43.31 H new ATOM 0 HB3 LEU A 46 0.959 -9.870 -0.902 1.00 43.31 H new ATOM 0 HG LEU A 46 3.242 -11.015 -0.686 1.00 45.43 H new ATOM 0 HD11 LEU A 46 4.117 -12.034 -2.752 1.00 10.02 H new ATOM 0 HD12 LEU A 46 2.762 -12.968 -2.077 1.00 10.02 H new ATOM 0 HD13 LEU A 46 2.501 -11.916 -3.489 1.00 10.02 H new ATOM 0 HD21 LEU A 46 4.230 -9.591 -2.432 1.00 53.41 H new ATOM 0 HD22 LEU A 46 2.620 -9.371 -3.158 1.00 53.41 H new ATOM 0 HD23 LEU A 46 2.955 -8.741 -1.527 1.00 53.41 H new ATOM 757 N LYS A 47 2.238 -12.530 1.416 1.00 51.32 N ATOM 758 CA LYS A 47 2.909 -12.335 2.690 1.00 60.44 C ATOM 759 C LYS A 47 3.789 -11.098 2.638 1.00 14.53 C ATOM 760 O LYS A 47 4.273 -10.712 1.574 1.00 41.32 O ATOM 761 CB LYS A 47 3.734 -13.566 3.065 1.00 51.33 C ATOM 762 CG LYS A 47 2.879 -14.764 3.423 1.00 4.55 C ATOM 763 CD LYS A 47 2.079 -14.493 4.682 1.00 21.32 C ATOM 764 CE LYS A 47 0.875 -15.408 4.787 1.00 43.12 C ATOM 765 NZ LYS A 47 1.257 -16.839 4.902 1.00 20.44 N ATOM 0 H LYS A 47 2.572 -13.328 0.876 1.00 51.32 H new ATOM 0 HA LYS A 47 2.150 -12.190 3.459 1.00 60.44 H new ATOM 0 HB2 LYS A 47 4.386 -13.828 2.231 1.00 51.33 H new ATOM 0 HB3 LYS A 47 4.379 -13.321 3.909 1.00 51.33 H new ATOM 0 HG2 LYS A 47 2.203 -14.994 2.599 1.00 4.55 H new ATOM 0 HG3 LYS A 47 3.513 -15.639 3.570 1.00 4.55 H new ATOM 0 HD2 LYS A 47 2.717 -14.629 5.555 1.00 21.32 H new ATOM 0 HD3 LYS A 47 1.749 -13.454 4.687 1.00 21.32 H new ATOM 0 HE2 LYS A 47 0.281 -15.123 5.655 1.00 43.12 H new ATOM 0 HE3 LYS A 47 0.243 -15.273 3.909 1.00 43.12 H new ATOM 0 HZ1 LYS A 47 0.403 -17.416 5.039 1.00 20.44 H new ATOM 0 HZ2 LYS A 47 1.742 -17.140 4.033 1.00 20.44 H new ATOM 0 HZ3 LYS A 47 1.893 -16.964 5.715 1.00 20.44 H new ATOM 779 N VAL A 48 3.992 -10.487 3.794 1.00 20.30 N ATOM 780 CA VAL A 48 4.734 -9.231 3.881 1.00 43.45 C ATOM 781 C VAL A 48 6.186 -9.401 3.422 1.00 23.24 C ATOM 782 O VAL A 48 6.804 -8.459 2.942 1.00 12.42 O ATOM 783 CB VAL A 48 4.711 -8.666 5.319 1.00 20.23 C ATOM 784 CG1 VAL A 48 5.314 -7.269 5.369 1.00 15.30 C ATOM 785 CG2 VAL A 48 3.293 -8.647 5.870 1.00 73.22 C ATOM 0 H VAL A 48 3.654 -10.838 4.690 1.00 20.30 H new ATOM 0 HA VAL A 48 4.238 -8.526 3.214 1.00 43.45 H new ATOM 0 HB VAL A 48 5.317 -9.323 5.942 1.00 20.23 H new ATOM 0 HG11 VAL A 48 5.285 -6.896 6.393 1.00 15.30 H new ATOM 0 HG12 VAL A 48 6.348 -7.307 5.026 1.00 15.30 H new ATOM 0 HG13 VAL A 48 4.742 -6.602 4.724 1.00 15.30 H new ATOM 0 HG21 VAL A 48 3.302 -8.245 6.883 1.00 73.22 H new ATOM 0 HG22 VAL A 48 2.665 -8.020 5.237 1.00 73.22 H new ATOM 0 HG23 VAL A 48 2.895 -9.662 5.885 1.00 73.22 H new ATOM 795 N GLU A 49 6.715 -10.612 3.542 1.00 34.45 N ATOM 796 CA GLU A 49 8.108 -10.872 3.183 1.00 13.23 C ATOM 797 C GLU A 49 8.252 -11.078 1.672 1.00 71.50 C ATOM 798 O GLU A 49 9.364 -11.186 1.149 1.00 43.53 O ATOM 799 CB GLU A 49 8.625 -12.108 3.930 1.00 71.20 C ATOM 800 CG GLU A 49 10.138 -12.265 3.882 1.00 2.20 C ATOM 801 CD GLU A 49 10.601 -13.660 4.250 1.00 31.13 C ATOM 802 OE1 GLU A 49 10.313 -14.118 5.377 1.00 42.51 O ATOM 803 OE2 GLU A 49 11.271 -14.304 3.411 1.00 23.12 O ATOM 0 H GLU A 49 6.206 -11.427 3.883 1.00 34.45 H new ATOM 0 HA GLU A 49 8.702 -10.005 3.472 1.00 13.23 H new ATOM 0 HB2 GLU A 49 8.308 -12.051 4.971 1.00 71.20 H new ATOM 0 HB3 GLU A 49 8.163 -12.998 3.504 1.00 71.20 H new ATOM 0 HG2 GLU A 49 10.491 -12.024 2.879 1.00 2.20 H new ATOM 0 HG3 GLU A 49 10.594 -11.546 4.562 1.00 2.20 H new ATOM 810 N ASP A 50 7.130 -11.119 0.966 1.00 63.12 N ATOM 811 CA ASP A 50 7.146 -11.429 -0.461 1.00 52.13 C ATOM 812 C ASP A 50 6.947 -10.186 -1.320 1.00 62.44 C ATOM 813 O ASP A 50 6.871 -10.279 -2.546 1.00 43.31 O ATOM 814 CB ASP A 50 6.069 -12.459 -0.806 1.00 32.24 C ATOM 815 CG ASP A 50 6.354 -13.829 -0.228 1.00 63.12 C ATOM 816 OD1 ASP A 50 7.251 -14.525 -0.747 1.00 54.43 O ATOM 817 OD2 ASP A 50 5.670 -14.228 0.736 1.00 40.22 O ATOM 0 H ASP A 50 6.203 -10.943 1.353 1.00 63.12 H new ATOM 0 HA ASP A 50 8.131 -11.842 -0.680 1.00 52.13 H new ATOM 0 HB2 ASP A 50 5.106 -12.108 -0.436 1.00 32.24 H new ATOM 0 HB3 ASP A 50 5.984 -12.538 -1.890 1.00 32.24 H new ATOM 822 N VAL A 51 6.870 -9.023 -0.695 1.00 53.22 N ATOM 823 CA VAL A 51 6.644 -7.798 -1.442 1.00 15.02 C ATOM 824 C VAL A 51 7.950 -7.271 -2.048 1.00 2.35 C ATOM 825 O VAL A 51 8.806 -6.720 -1.362 1.00 73.51 O ATOM 826 CB VAL A 51 5.942 -6.711 -0.584 1.00 33.40 C ATOM 827 CG1 VAL A 51 6.714 -6.408 0.690 1.00 72.12 C ATOM 828 CG2 VAL A 51 5.722 -5.442 -1.395 1.00 51.33 C ATOM 0 H VAL A 51 6.959 -8.902 0.314 1.00 53.22 H new ATOM 0 HA VAL A 51 5.967 -8.042 -2.261 1.00 15.02 H new ATOM 0 HB VAL A 51 4.970 -7.108 -0.289 1.00 33.40 H new ATOM 0 HG11 VAL A 51 6.188 -5.642 1.261 1.00 72.12 H new ATOM 0 HG12 VAL A 51 6.797 -7.315 1.289 1.00 72.12 H new ATOM 0 HG13 VAL A 51 7.711 -6.049 0.435 1.00 72.12 H new ATOM 0 HG21 VAL A 51 5.229 -4.694 -0.774 1.00 51.33 H new ATOM 0 HG22 VAL A 51 6.683 -5.056 -1.734 1.00 51.33 H new ATOM 0 HG23 VAL A 51 5.096 -5.666 -2.259 1.00 51.33 H new ATOM 838 N LYS A 52 8.112 -7.506 -3.340 1.00 23.31 N ATOM 839 CA LYS A 52 9.250 -6.994 -4.084 1.00 60.11 C ATOM 840 C LYS A 52 8.911 -5.640 -4.706 1.00 42.30 C ATOM 841 O LYS A 52 7.745 -5.367 -5.003 1.00 21.45 O ATOM 842 CB LYS A 52 9.622 -7.988 -5.175 1.00 0.42 C ATOM 843 CG LYS A 52 10.054 -9.344 -4.644 1.00 43.34 C ATOM 844 CD LYS A 52 10.226 -10.346 -5.770 1.00 34.13 C ATOM 845 CE LYS A 52 11.181 -9.833 -6.833 1.00 74.33 C ATOM 846 NZ LYS A 52 11.296 -10.775 -7.976 1.00 3.00 N ATOM 0 H LYS A 52 7.460 -8.055 -3.900 1.00 23.31 H new ATOM 0 HA LYS A 52 10.093 -6.862 -3.406 1.00 60.11 H new ATOM 0 HB2 LYS A 52 8.768 -8.123 -5.838 1.00 0.42 H new ATOM 0 HB3 LYS A 52 10.429 -7.569 -5.776 1.00 0.42 H new ATOM 0 HG2 LYS A 52 10.992 -9.242 -4.099 1.00 43.34 H new ATOM 0 HG3 LYS A 52 9.312 -9.713 -3.936 1.00 43.34 H new ATOM 0 HD2 LYS A 52 10.601 -11.287 -5.367 1.00 34.13 H new ATOM 0 HD3 LYS A 52 9.257 -10.557 -6.222 1.00 34.13 H new ATOM 0 HE2 LYS A 52 10.836 -8.864 -7.194 1.00 74.33 H new ATOM 0 HE3 LYS A 52 12.165 -9.676 -6.392 1.00 74.33 H new ATOM 0 HZ1 LYS A 52 11.957 -10.388 -8.680 1.00 3.00 H new ATOM 0 HZ2 LYS A 52 11.650 -11.692 -7.636 1.00 3.00 H new ATOM 0 HZ3 LYS A 52 10.362 -10.905 -8.414 1.00 3.00 H new ATOM 860 N PRO A 53 9.928 -4.786 -4.924 1.00 2.34 N ATOM 861 CA PRO A 53 9.744 -3.432 -5.468 1.00 53.53 C ATOM 862 C PRO A 53 9.022 -3.392 -6.817 1.00 1.34 C ATOM 863 O PRO A 53 8.337 -2.415 -7.122 1.00 54.55 O ATOM 864 CB PRO A 53 11.171 -2.892 -5.621 1.00 31.25 C ATOM 865 CG PRO A 53 12.068 -4.077 -5.498 1.00 42.52 C ATOM 866 CD PRO A 53 11.344 -5.062 -4.631 1.00 25.03 C ATOM 0 HA PRO A 53 9.110 -2.843 -4.805 1.00 53.53 H new ATOM 0 HB2 PRO A 53 11.302 -2.401 -6.585 1.00 31.25 H new ATOM 0 HB3 PRO A 53 11.394 -2.151 -4.853 1.00 31.25 H new ATOM 0 HG2 PRO A 53 12.284 -4.505 -6.477 1.00 42.52 H new ATOM 0 HG3 PRO A 53 13.024 -3.797 -5.055 1.00 42.52 H new ATOM 0 HD2 PRO A 53 11.614 -6.089 -4.876 1.00 25.03 H new ATOM 0 HD3 PRO A 53 11.573 -4.915 -3.576 1.00 25.03 H new ATOM 874 N ARG A 54 9.174 -4.440 -7.629 1.00 41.42 N ATOM 875 CA ARG A 54 8.520 -4.485 -8.941 1.00 60.13 C ATOM 876 C ARG A 54 7.006 -4.414 -8.794 1.00 3.21 C ATOM 877 O ARG A 54 6.322 -3.807 -9.615 1.00 62.32 O ATOM 878 CB ARG A 54 8.882 -5.761 -9.705 1.00 33.44 C ATOM 879 CG ARG A 54 8.392 -5.748 -11.146 1.00 4.14 C ATOM 880 CD ARG A 54 8.476 -7.121 -11.786 1.00 55.20 C ATOM 881 NE ARG A 54 8.149 -7.073 -13.210 1.00 42.20 N ATOM 882 CZ ARG A 54 6.993 -7.491 -13.728 1.00 4.51 C ATOM 883 NH1 ARG A 54 6.035 -7.967 -12.942 1.00 40.31 N ATOM 884 NH2 ARG A 54 6.792 -7.420 -15.039 1.00 12.23 N ATOM 0 H ARG A 54 9.737 -5.261 -7.406 1.00 41.42 H new ATOM 0 HA ARG A 54 8.876 -3.621 -9.503 1.00 60.13 H new ATOM 0 HB2 ARG A 54 9.964 -5.889 -9.696 1.00 33.44 H new ATOM 0 HB3 ARG A 54 8.455 -6.621 -9.189 1.00 33.44 H new ATOM 0 HG2 ARG A 54 7.361 -5.397 -11.175 1.00 4.14 H new ATOM 0 HG3 ARG A 54 8.986 -5.041 -11.725 1.00 4.14 H new ATOM 0 HD2 ARG A 54 9.481 -7.522 -11.656 1.00 55.20 H new ATOM 0 HD3 ARG A 54 7.793 -7.802 -11.278 1.00 55.20 H new ATOM 0 HE ARG A 54 8.850 -6.696 -13.848 1.00 42.20 H new ATOM 0 HH11 ARG A 54 6.180 -8.015 -11.933 1.00 40.31 H new ATOM 0 HH12 ARG A 54 5.154 -8.284 -13.347 1.00 40.31 H new ATOM 0 HH21 ARG A 54 7.521 -7.047 -15.647 1.00 12.23 H new ATOM 0 HH22 ARG A 54 5.909 -7.739 -15.438 1.00 12.23 H new ATOM 898 N HIS A 55 6.496 -5.026 -7.728 1.00 15.03 N ATOM 899 CA HIS A 55 5.055 -5.070 -7.479 1.00 1.10 C ATOM 900 C HIS A 55 4.486 -3.659 -7.396 1.00 72.35 C ATOM 901 O HIS A 55 3.375 -3.399 -7.857 1.00 23.50 O ATOM 902 CB HIS A 55 4.740 -5.816 -6.175 1.00 43.13 C ATOM 903 CG HIS A 55 5.237 -7.230 -6.114 1.00 51.32 C ATOM 904 ND1 HIS A 55 5.759 -7.907 -7.193 1.00 70.41 N ATOM 905 CD2 HIS A 55 5.310 -8.085 -5.070 1.00 40.01 C ATOM 906 CE1 HIS A 55 6.132 -9.115 -6.814 1.00 32.53 C ATOM 907 NE2 HIS A 55 5.870 -9.251 -5.529 1.00 54.43 N ATOM 0 H HIS A 55 7.059 -5.499 -7.021 1.00 15.03 H new ATOM 0 HA HIS A 55 4.594 -5.603 -8.311 1.00 1.10 H new ATOM 0 HB2 HIS A 55 5.172 -5.260 -5.343 1.00 43.13 H new ATOM 0 HB3 HIS A 55 3.660 -5.820 -6.029 1.00 43.13 H new ATOM 0 HD2 HIS A 55 4.987 -7.887 -4.059 1.00 40.01 H new ATOM 0 HE1 HIS A 55 6.577 -9.866 -7.450 1.00 32.53 H new ATOM 0 HE2 HIS A 55 6.053 -10.084 -4.969 1.00 54.43 H new ATOM 916 N ILE A 56 5.265 -2.755 -6.811 1.00 15.13 N ATOM 917 CA ILE A 56 4.852 -1.366 -6.644 1.00 53.23 C ATOM 918 C ILE A 56 4.681 -0.678 -8.000 1.00 71.43 C ATOM 919 O ILE A 56 3.797 0.157 -8.174 1.00 13.02 O ATOM 920 CB ILE A 56 5.874 -0.577 -5.791 1.00 40.23 C ATOM 921 CG1 ILE A 56 6.114 -1.284 -4.450 1.00 33.30 C ATOM 922 CG2 ILE A 56 5.401 0.853 -5.560 1.00 43.43 C ATOM 923 CD1 ILE A 56 4.878 -1.394 -3.580 1.00 51.43 C ATOM 0 H ILE A 56 6.193 -2.962 -6.442 1.00 15.13 H new ATOM 0 HA ILE A 56 3.893 -1.374 -6.126 1.00 53.23 H new ATOM 0 HB ILE A 56 6.815 -0.540 -6.339 1.00 40.23 H new ATOM 0 HG12 ILE A 56 6.500 -2.285 -4.643 1.00 33.30 H new ATOM 0 HG13 ILE A 56 6.886 -0.745 -3.900 1.00 33.30 H new ATOM 0 HG21 ILE A 56 6.136 1.387 -4.958 1.00 43.43 H new ATOM 0 HG22 ILE A 56 5.283 1.357 -6.519 1.00 43.43 H new ATOM 0 HG23 ILE A 56 4.445 0.840 -5.037 1.00 43.43 H new ATOM 0 HD11 ILE A 56 5.131 -1.905 -2.651 1.00 51.43 H new ATOM 0 HD12 ILE A 56 4.502 -0.396 -3.354 1.00 51.43 H new ATOM 0 HD13 ILE A 56 4.110 -1.960 -4.108 1.00 51.43 H new ATOM 935 N ASP A 57 5.517 -1.043 -8.963 1.00 33.54 N ATOM 936 CA ASP A 57 5.429 -0.467 -10.302 1.00 45.45 C ATOM 937 C ASP A 57 4.150 -0.915 -10.992 1.00 25.54 C ATOM 938 O ASP A 57 3.440 -0.105 -11.593 1.00 53.44 O ATOM 939 CB ASP A 57 6.640 -0.868 -11.146 1.00 54.22 C ATOM 940 CG ASP A 57 6.560 -0.341 -12.569 1.00 24.10 C ATOM 941 OD1 ASP A 57 6.822 0.862 -12.779 1.00 42.41 O ATOM 942 OD2 ASP A 57 6.251 -1.134 -13.484 1.00 14.53 O ATOM 0 H ASP A 57 6.261 -1.731 -8.845 1.00 33.54 H new ATOM 0 HA ASP A 57 5.417 0.618 -10.201 1.00 45.45 H new ATOM 0 HB2 ASP A 57 7.548 -0.493 -10.674 1.00 54.22 H new ATOM 0 HB3 ASP A 57 6.719 -1.955 -11.169 1.00 54.22 H new ATOM 947 N ASP A 58 3.854 -2.206 -10.881 1.00 50.02 N ATOM 948 CA ASP A 58 2.672 -2.782 -11.516 1.00 12.21 C ATOM 949 C ASP A 58 1.397 -2.179 -10.950 1.00 10.45 C ATOM 950 O ASP A 58 0.484 -1.828 -11.700 1.00 54.44 O ATOM 951 CB ASP A 58 2.626 -4.307 -11.345 1.00 25.33 C ATOM 952 CG ASP A 58 3.761 -5.033 -12.042 1.00 5.43 C ATOM 953 OD1 ASP A 58 3.955 -4.826 -13.260 1.00 22.01 O ATOM 954 OD2 ASP A 58 4.443 -5.842 -11.379 1.00 11.50 O ATOM 0 H ASP A 58 4.417 -2.875 -10.356 1.00 50.02 H new ATOM 0 HA ASP A 58 2.741 -2.548 -12.578 1.00 12.21 H new ATOM 0 HB2 ASP A 58 2.653 -4.546 -10.282 1.00 25.33 H new ATOM 0 HB3 ASP A 58 1.677 -4.679 -11.731 1.00 25.33 H new ATOM 959 N VAL A 59 1.330 -2.056 -9.631 1.00 14.23 N ATOM 960 CA VAL A 59 0.134 -1.526 -8.995 1.00 50.52 C ATOM 961 C VAL A 59 -0.062 -0.051 -9.338 1.00 74.04 C ATOM 962 O VAL A 59 -1.167 0.359 -9.684 1.00 22.24 O ATOM 963 CB VAL A 59 0.134 -1.730 -7.456 1.00 0.54 C ATOM 964 CG1 VAL A 59 0.162 -3.212 -7.120 1.00 75.23 C ATOM 965 CG2 VAL A 59 1.298 -1.016 -6.785 1.00 20.02 C ATOM 0 H VAL A 59 2.080 -2.313 -8.989 1.00 14.23 H new ATOM 0 HA VAL A 59 -0.706 -2.095 -9.394 1.00 50.52 H new ATOM 0 HB VAL A 59 -0.786 -1.291 -7.070 1.00 0.54 H new ATOM 0 HG11 VAL A 59 0.162 -3.340 -6.038 1.00 75.23 H new ATOM 0 HG12 VAL A 59 -0.717 -3.698 -7.543 1.00 75.23 H new ATOM 0 HG13 VAL A 59 1.062 -3.663 -7.538 1.00 75.23 H new ATOM 0 HG21 VAL A 59 1.258 -1.186 -5.709 1.00 20.02 H new ATOM 0 HG22 VAL A 59 2.238 -1.403 -7.179 1.00 20.02 H new ATOM 0 HG23 VAL A 59 1.233 0.053 -6.986 1.00 20.02 H new ATOM 975 N LEU A 60 1.014 0.729 -9.297 1.00 41.10 N ATOM 976 CA LEU A 60 0.927 2.164 -9.553 1.00 64.21 C ATOM 977 C LEU A 60 0.451 2.460 -10.970 1.00 0.11 C ATOM 978 O LEU A 60 -0.452 3.272 -11.165 1.00 52.14 O ATOM 979 CB LEU A 60 2.276 2.845 -9.317 1.00 42.52 C ATOM 980 CG LEU A 60 2.713 2.948 -7.857 1.00 21.02 C ATOM 981 CD1 LEU A 60 4.065 3.633 -7.765 1.00 42.31 C ATOM 982 CD2 LEU A 60 1.678 3.707 -7.040 1.00 43.43 C ATOM 0 H LEU A 60 1.955 0.393 -9.090 1.00 41.10 H new ATOM 0 HA LEU A 60 0.193 2.564 -8.853 1.00 64.21 H new ATOM 0 HB2 LEU A 60 3.041 2.299 -9.870 1.00 42.52 H new ATOM 0 HB3 LEU A 60 2.235 3.850 -9.738 1.00 42.52 H new ATOM 0 HG LEU A 60 2.800 1.941 -7.448 1.00 21.02 H new ATOM 0 HD11 LEU A 60 4.368 3.702 -6.720 1.00 42.31 H new ATOM 0 HD12 LEU A 60 4.804 3.055 -8.320 1.00 42.31 H new ATOM 0 HD13 LEU A 60 3.995 4.635 -8.189 1.00 42.31 H new ATOM 0 HD21 LEU A 60 2.008 3.770 -6.003 1.00 43.43 H new ATOM 0 HD22 LEU A 60 1.561 4.712 -7.445 1.00 43.43 H new ATOM 0 HD23 LEU A 60 0.723 3.184 -7.086 1.00 43.43 H new ATOM 994 N LYS A 61 1.048 1.804 -11.957 1.00 3.55 N ATOM 995 CA LYS A 61 0.707 2.071 -13.350 1.00 72.14 C ATOM 996 C LYS A 61 -0.769 1.783 -13.618 1.00 72.14 C ATOM 997 O LYS A 61 -1.396 2.435 -14.452 1.00 4.54 O ATOM 998 CB LYS A 61 1.611 1.280 -14.305 1.00 13.15 C ATOM 999 CG LYS A 61 1.550 -0.225 -14.146 1.00 2.02 C ATOM 1000 CD LYS A 61 2.618 -0.904 -14.988 1.00 62.50 C ATOM 1001 CE LYS A 61 2.676 -2.391 -14.706 1.00 64.20 C ATOM 1002 NZ LYS A 61 3.948 -2.998 -15.173 1.00 55.41 N ATOM 0 H LYS A 61 1.764 1.090 -11.822 1.00 3.55 H new ATOM 0 HA LYS A 61 0.878 3.131 -13.538 1.00 72.14 H new ATOM 0 HB2 LYS A 61 1.341 1.533 -15.330 1.00 13.15 H new ATOM 0 HB3 LYS A 61 2.641 1.604 -14.158 1.00 13.15 H new ATOM 0 HG2 LYS A 61 1.686 -0.490 -13.097 1.00 2.02 H new ATOM 0 HG3 LYS A 61 0.565 -0.586 -14.441 1.00 2.02 H new ATOM 0 HD2 LYS A 61 2.410 -0.740 -16.045 1.00 62.50 H new ATOM 0 HD3 LYS A 61 3.589 -0.454 -14.781 1.00 62.50 H new ATOM 0 HE2 LYS A 61 2.565 -2.561 -13.635 1.00 64.20 H new ATOM 0 HE3 LYS A 61 1.837 -2.886 -15.196 1.00 64.20 H new ATOM 0 HZ1 LYS A 61 4.321 -3.631 -14.437 1.00 55.41 H new ATOM 0 HZ2 LYS A 61 3.775 -3.542 -16.042 1.00 55.41 H new ATOM 0 HZ3 LYS A 61 4.640 -2.247 -15.367 1.00 55.41 H new ATOM 1016 N ALA A 62 -1.323 0.816 -12.896 1.00 43.23 N ATOM 1017 CA ALA A 62 -2.731 0.479 -13.033 1.00 1.22 C ATOM 1018 C ALA A 62 -3.612 1.445 -12.240 1.00 2.41 C ATOM 1019 O ALA A 62 -4.603 1.956 -12.763 1.00 22.21 O ATOM 1020 CB ALA A 62 -2.975 -0.957 -12.591 1.00 64.44 C ATOM 0 H ALA A 62 -0.818 0.253 -12.211 1.00 43.23 H new ATOM 0 HA ALA A 62 -3.001 0.572 -14.085 1.00 1.22 H new ATOM 0 HB1 ALA A 62 -4.033 -1.196 -12.699 1.00 64.44 H new ATOM 0 HB2 ALA A 62 -2.385 -1.633 -13.210 1.00 64.44 H new ATOM 0 HB3 ALA A 62 -2.682 -1.071 -11.547 1.00 64.44 H new ATOM 1026 N VAL A 63 -3.246 1.718 -10.986 1.00 0.24 N ATOM 1027 CA VAL A 63 -4.061 2.582 -10.128 1.00 60.54 C ATOM 1028 C VAL A 63 -4.076 4.023 -10.635 1.00 20.21 C ATOM 1029 O VAL A 63 -4.996 4.781 -10.336 1.00 12.13 O ATOM 1030 CB VAL A 63 -3.599 2.563 -8.650 1.00 1.01 C ATOM 1031 CG1 VAL A 63 -3.717 1.162 -8.067 1.00 50.45 C ATOM 1032 CG2 VAL A 63 -2.184 3.092 -8.502 1.00 12.44 C ATOM 0 H VAL A 63 -2.400 1.358 -10.545 1.00 0.24 H new ATOM 0 HA VAL A 63 -5.071 2.174 -10.172 1.00 60.54 H new ATOM 0 HB VAL A 63 -4.258 3.226 -8.089 1.00 1.01 H new ATOM 0 HG11 VAL A 63 -3.387 1.171 -7.028 1.00 50.45 H new ATOM 0 HG12 VAL A 63 -4.755 0.834 -8.115 1.00 50.45 H new ATOM 0 HG13 VAL A 63 -3.093 0.476 -8.640 1.00 50.45 H new ATOM 0 HG21 VAL A 63 -1.893 3.064 -7.452 1.00 12.44 H new ATOM 0 HG22 VAL A 63 -1.501 2.473 -9.084 1.00 12.44 H new ATOM 0 HG23 VAL A 63 -2.140 4.119 -8.863 1.00 12.44 H new ATOM 1042 N MET A 64 -3.066 4.394 -11.413 1.00 31.13 N ATOM 1043 CA MET A 64 -3.010 5.726 -11.998 1.00 1.23 C ATOM 1044 C MET A 64 -3.968 5.851 -13.176 1.00 51.33 C ATOM 1045 O MET A 64 -4.557 6.907 -13.394 1.00 15.42 O ATOM 1046 CB MET A 64 -1.590 6.062 -12.455 1.00 22.42 C ATOM 1047 CG MET A 64 -0.618 6.303 -11.312 1.00 43.44 C ATOM 1048 SD MET A 64 1.062 6.630 -11.881 1.00 64.50 S ATOM 1049 CE MET A 64 0.806 8.102 -12.873 1.00 4.15 C ATOM 0 H MET A 64 -2.278 3.793 -11.652 1.00 31.13 H new ATOM 0 HA MET A 64 -3.311 6.433 -11.225 1.00 1.23 H new ATOM 0 HB2 MET A 64 -1.215 5.246 -13.073 1.00 22.42 H new ATOM 0 HB3 MET A 64 -1.622 6.950 -13.086 1.00 22.42 H new ATOM 0 HG2 MET A 64 -0.966 7.147 -10.717 1.00 43.44 H new ATOM 0 HG3 MET A 64 -0.612 5.432 -10.657 1.00 43.44 H new ATOM 0 HE1 MET A 64 1.769 8.558 -13.103 1.00 4.15 H new ATOM 0 HE2 MET A 64 0.302 7.832 -13.801 1.00 4.15 H new ATOM 0 HE3 MET A 64 0.191 8.812 -12.319 1.00 4.15 H new ATOM 1059 N LYS A 65 -4.134 4.771 -13.930 1.00 22.32 N ATOM 1060 CA LYS A 65 -4.949 4.825 -15.137 1.00 40.20 C ATOM 1061 C LYS A 65 -6.418 4.530 -14.847 1.00 75.13 C ATOM 1062 O LYS A 65 -7.298 5.273 -15.277 1.00 52.12 O ATOM 1063 CB LYS A 65 -4.405 3.883 -16.218 1.00 24.13 C ATOM 1064 CG LYS A 65 -4.357 2.412 -15.839 1.00 72.01 C ATOM 1065 CD LYS A 65 -3.889 1.567 -17.010 1.00 11.12 C ATOM 1066 CE LYS A 65 -2.484 1.951 -17.448 1.00 4.53 C ATOM 1067 NZ LYS A 65 -2.125 1.342 -18.754 1.00 24.00 N ATOM 0 H LYS A 65 -3.722 3.859 -13.731 1.00 22.32 H new ATOM 0 HA LYS A 65 -4.890 5.845 -15.516 1.00 40.20 H new ATOM 0 HB2 LYS A 65 -5.020 3.990 -17.112 1.00 24.13 H new ATOM 0 HB3 LYS A 65 -3.398 4.205 -16.483 1.00 24.13 H new ATOM 0 HG2 LYS A 65 -3.685 2.272 -14.992 1.00 72.01 H new ATOM 0 HG3 LYS A 65 -5.345 2.082 -15.519 1.00 72.01 H new ATOM 0 HD2 LYS A 65 -3.909 0.514 -16.731 1.00 11.12 H new ATOM 0 HD3 LYS A 65 -4.578 1.688 -17.846 1.00 11.12 H new ATOM 0 HE2 LYS A 65 -2.410 3.036 -17.521 1.00 4.53 H new ATOM 0 HE3 LYS A 65 -1.768 1.633 -16.690 1.00 4.53 H new ATOM 0 HZ1 LYS A 65 -1.160 1.628 -19.017 1.00 24.00 H new ATOM 0 HZ2 LYS A 65 -2.170 0.306 -18.678 1.00 24.00 H new ATOM 0 HZ3 LYS A 65 -2.793 1.665 -19.483 1.00 24.00 H new ATOM 1081 N ARG A 66 -6.687 3.460 -14.109 1.00 41.11 N ATOM 1082 CA ARG A 66 -8.068 3.105 -13.778 1.00 71.10 C ATOM 1083 C ARG A 66 -8.515 3.817 -12.504 1.00 33.31 C ATOM 1084 O ARG A 66 -9.635 3.635 -12.029 1.00 1.52 O ATOM 1085 CB ARG A 66 -8.239 1.576 -13.667 1.00 73.50 C ATOM 1086 CG ARG A 66 -7.447 0.904 -12.549 1.00 34.54 C ATOM 1087 CD ARG A 66 -8.177 0.951 -11.214 1.00 40.53 C ATOM 1088 NE ARG A 66 -9.396 0.139 -11.208 1.00 72.12 N ATOM 1089 CZ ARG A 66 -10.545 0.512 -10.637 1.00 43.24 C ATOM 1090 NH1 ARG A 66 -10.676 1.737 -10.134 1.00 50.13 N ATOM 1091 NH2 ARG A 66 -11.574 -0.329 -10.600 1.00 54.55 N ATOM 0 H ARG A 66 -5.981 2.829 -13.731 1.00 41.11 H new ATOM 0 HA ARG A 66 -8.712 3.442 -14.590 1.00 71.10 H new ATOM 0 HB2 ARG A 66 -9.297 1.356 -13.522 1.00 73.50 H new ATOM 0 HB3 ARG A 66 -7.947 1.126 -14.616 1.00 73.50 H new ATOM 0 HG2 ARG A 66 -7.253 -0.134 -12.818 1.00 34.54 H new ATOM 0 HG3 ARG A 66 -6.478 1.394 -12.448 1.00 34.54 H new ATOM 0 HD2 ARG A 66 -7.509 0.602 -10.427 1.00 40.53 H new ATOM 0 HD3 ARG A 66 -8.433 1.985 -10.980 1.00 40.53 H new ATOM 0 HE ARG A 66 -9.366 -0.770 -11.670 1.00 72.12 H new ATOM 0 HH11 ARG A 66 -9.898 2.395 -10.184 1.00 50.13 H new ATOM 0 HH12 ARG A 66 -11.555 2.018 -9.699 1.00 50.13 H new ATOM 0 HH21 ARG A 66 -11.487 -1.260 -11.008 1.00 54.55 H new ATOM 0 HH22 ARG A 66 -12.451 -0.043 -10.164 1.00 54.55 H new ATOM 1105 N GLY A 67 -7.628 4.630 -11.958 1.00 70.30 N ATOM 1106 CA GLY A 67 -7.964 5.429 -10.801 1.00 45.00 C ATOM 1107 C GLY A 67 -7.647 6.888 -11.030 1.00 35.35 C ATOM 1108 O GLY A 67 -8.431 7.609 -11.650 1.00 54.25 O ATOM 0 H GLY A 67 -6.674 4.752 -12.298 1.00 70.30 H new ATOM 0 HA2 GLY A 67 -9.024 5.316 -10.574 1.00 45.00 H new ATOM 0 HA3 GLY A 67 -7.412 5.067 -9.934 1.00 45.00 H new ATOM 1112 N ALA A 68 -6.491 7.320 -10.547 1.00 63.13 N ATOM 1113 CA ALA A 68 -6.036 8.687 -10.745 1.00 44.04 C ATOM 1114 C ALA A 68 -4.546 8.798 -10.450 1.00 31.35 C ATOM 1115 O ALA A 68 -4.040 8.154 -9.531 1.00 42.41 O ATOM 1116 CB ALA A 68 -6.821 9.645 -9.857 1.00 72.24 C ATOM 0 H ALA A 68 -5.847 6.738 -10.011 1.00 63.13 H new ATOM 0 HA ALA A 68 -6.208 8.959 -11.786 1.00 44.04 H new ATOM 0 HB1 ALA A 68 -6.467 10.663 -10.018 1.00 72.24 H new ATOM 0 HB2 ALA A 68 -7.881 9.585 -10.105 1.00 72.24 H new ATOM 0 HB3 ALA A 68 -6.677 9.372 -8.811 1.00 72.24 H new ATOM 1122 N PRO A 69 -3.824 9.623 -11.219 1.00 51.42 N ATOM 1123 CA PRO A 69 -2.392 9.843 -11.010 1.00 74.42 C ATOM 1124 C PRO A 69 -2.113 10.608 -9.719 1.00 15.24 C ATOM 1125 O PRO A 69 -1.138 10.334 -9.020 1.00 33.01 O ATOM 1126 CB PRO A 69 -1.969 10.670 -12.228 1.00 13.11 C ATOM 1127 CG PRO A 69 -3.217 11.337 -12.691 1.00 1.52 C ATOM 1128 CD PRO A 69 -4.339 10.387 -12.374 1.00 60.30 C ATOM 0 HA PRO A 69 -1.845 8.905 -10.913 1.00 74.42 H new ATOM 0 HB2 PRO A 69 -1.205 11.401 -11.963 1.00 13.11 H new ATOM 0 HB3 PRO A 69 -1.547 10.037 -13.008 1.00 13.11 H new ATOM 0 HG2 PRO A 69 -3.360 12.292 -12.185 1.00 1.52 H new ATOM 0 HG3 PRO A 69 -3.174 11.546 -13.760 1.00 1.52 H new ATOM 0 HD2 PRO A 69 -5.258 10.919 -12.127 1.00 60.30 H new ATOM 0 HD3 PRO A 69 -4.565 9.736 -13.218 1.00 60.30 H new ATOM 1136 N SER A 70 -2.988 11.551 -9.402 1.00 33.45 N ATOM 1137 CA SER A 70 -2.822 12.403 -8.235 1.00 53.34 C ATOM 1138 C SER A 70 -2.826 11.585 -6.943 1.00 4.42 C ATOM 1139 O SER A 70 -2.054 11.855 -6.022 1.00 2.34 O ATOM 1140 CB SER A 70 -3.939 13.440 -8.207 1.00 34.13 C ATOM 1141 OG SER A 70 -4.077 14.063 -9.475 1.00 13.45 O ATOM 0 H SER A 70 -3.830 11.746 -9.944 1.00 33.45 H new ATOM 0 HA SER A 70 -1.856 12.904 -8.304 1.00 53.34 H new ATOM 0 HB2 SER A 70 -4.878 12.963 -7.927 1.00 34.13 H new ATOM 0 HB3 SER A 70 -3.725 14.192 -7.448 1.00 34.13 H new ATOM 0 HG SER A 70 -4.800 14.724 -9.438 1.00 13.45 H new ATOM 1147 N ILE A 71 -3.682 10.571 -6.898 1.00 44.21 N ATOM 1148 CA ILE A 71 -3.829 9.740 -5.709 1.00 53.32 C ATOM 1149 C ILE A 71 -2.586 8.884 -5.487 1.00 54.32 C ATOM 1150 O ILE A 71 -2.149 8.695 -4.353 1.00 15.33 O ATOM 1151 CB ILE A 71 -5.079 8.832 -5.810 1.00 34.51 C ATOM 1152 CG1 ILE A 71 -6.332 9.685 -6.041 1.00 54.14 C ATOM 1153 CG2 ILE A 71 -5.234 7.988 -4.550 1.00 20.15 C ATOM 1154 CD1 ILE A 71 -7.605 8.879 -6.176 1.00 52.35 C ATOM 0 H ILE A 71 -4.287 10.304 -7.674 1.00 44.21 H new ATOM 0 HA ILE A 71 -3.954 10.409 -4.858 1.00 53.32 H new ATOM 0 HB ILE A 71 -4.951 8.158 -6.657 1.00 34.51 H new ATOM 0 HG12 ILE A 71 -6.442 10.384 -5.212 1.00 54.14 H new ATOM 0 HG13 ILE A 71 -6.193 10.281 -6.943 1.00 54.14 H new ATOM 0 HG21 ILE A 71 -6.118 7.357 -4.641 1.00 20.15 H new ATOM 0 HG22 ILE A 71 -4.352 7.360 -4.422 1.00 20.15 H new ATOM 0 HG23 ILE A 71 -5.343 8.642 -3.685 1.00 20.15 H new ATOM 0 HD11 ILE A 71 -8.447 9.553 -6.337 1.00 52.35 H new ATOM 0 HD12 ILE A 71 -7.517 8.199 -7.023 1.00 52.35 H new ATOM 0 HD13 ILE A 71 -7.770 8.304 -5.265 1.00 52.35 H new ATOM 1166 N ALA A 72 -2.002 8.401 -6.579 1.00 31.32 N ATOM 1167 CA ALA A 72 -0.834 7.523 -6.510 1.00 31.04 C ATOM 1168 C ALA A 72 0.325 8.176 -5.756 1.00 3.51 C ATOM 1169 O ALA A 72 0.998 7.525 -4.958 1.00 75.13 O ATOM 1170 CB ALA A 72 -0.393 7.121 -7.908 1.00 54.13 C ATOM 0 H ALA A 72 -2.319 8.603 -7.527 1.00 31.32 H new ATOM 0 HA ALA A 72 -1.126 6.631 -5.956 1.00 31.04 H new ATOM 0 HB1 ALA A 72 0.477 6.468 -7.841 1.00 54.13 H new ATOM 0 HB2 ALA A 72 -1.205 6.594 -8.408 1.00 54.13 H new ATOM 0 HB3 ALA A 72 -0.134 8.013 -8.478 1.00 54.13 H new ATOM 1176 N ASN A 73 0.541 9.466 -5.995 1.00 34.12 N ATOM 1177 CA ASN A 73 1.640 10.195 -5.355 1.00 4.13 C ATOM 1178 C ASN A 73 1.472 10.219 -3.841 1.00 14.40 C ATOM 1179 O ASN A 73 2.439 10.069 -3.093 1.00 43.53 O ATOM 1180 CB ASN A 73 1.730 11.632 -5.884 1.00 4.31 C ATOM 1181 CG ASN A 73 2.123 11.697 -7.347 1.00 14.40 C ATOM 1182 OD1 ASN A 73 3.306 11.725 -7.689 1.00 24.22 O ATOM 1183 ND2 ASN A 73 1.134 11.738 -8.224 1.00 22.40 N ATOM 0 H ASN A 73 -0.028 10.031 -6.626 1.00 34.12 H new ATOM 0 HA ASN A 73 2.564 9.670 -5.600 1.00 4.13 H new ATOM 0 HB2 ASN A 73 0.767 12.125 -5.749 1.00 4.31 H new ATOM 0 HB3 ASN A 73 2.458 12.187 -5.292 1.00 4.31 H new ATOM 0 HD21 ASN A 73 1.339 11.795 -9.222 1.00 22.40 H new ATOM 0 HD22 ASN A 73 0.166 11.713 -7.903 1.00 22.40 H new ATOM 1190 N ASP A 74 0.240 10.411 -3.391 1.00 73.41 N ATOM 1191 CA ASP A 74 -0.048 10.417 -1.958 1.00 55.43 C ATOM 1192 C ASP A 74 -0.036 8.989 -1.416 1.00 43.14 C ATOM 1193 O ASP A 74 0.353 8.750 -0.272 1.00 11.11 O ATOM 1194 CB ASP A 74 -1.395 11.085 -1.668 1.00 2.41 C ATOM 1195 CG ASP A 74 -1.605 11.351 -0.184 1.00 23.12 C ATOM 1196 OD1 ASP A 74 -1.121 12.393 0.313 1.00 40.23 O ATOM 1197 OD2 ASP A 74 -2.260 10.531 0.490 1.00 33.22 O ATOM 0 H ASP A 74 -0.572 10.564 -3.989 1.00 73.41 H new ATOM 0 HA ASP A 74 0.728 10.995 -1.456 1.00 55.43 H new ATOM 0 HB2 ASP A 74 -1.456 12.026 -2.215 1.00 2.41 H new ATOM 0 HB3 ASP A 74 -2.200 10.449 -2.037 1.00 2.41 H new ATOM 1202 N THR A 75 -0.439 8.041 -2.260 1.00 71.53 N ATOM 1203 CA THR A 75 -0.423 6.624 -1.904 1.00 52.54 C ATOM 1204 C THR A 75 1.007 6.148 -1.632 1.00 31.42 C ATOM 1205 O THR A 75 1.232 5.276 -0.791 1.00 31.04 O ATOM 1206 CB THR A 75 -1.059 5.765 -3.021 1.00 10.42 C ATOM 1207 OG1 THR A 75 -2.387 6.230 -3.290 1.00 31.32 O ATOM 1208 CG2 THR A 75 -1.118 4.294 -2.627 1.00 2.12 C ATOM 0 H THR A 75 -0.783 8.231 -3.201 1.00 71.53 H new ATOM 0 HA THR A 75 -1.013 6.505 -0.995 1.00 52.54 H new ATOM 0 HB THR A 75 -0.437 5.860 -3.911 1.00 10.42 H new ATOM 0 HG1 THR A 75 -2.353 7.163 -3.588 1.00 31.32 H new ATOM 0 HG21 THR A 75 -1.571 3.719 -3.435 1.00 2.12 H new ATOM 0 HG22 THR A 75 -0.109 3.926 -2.441 1.00 2.12 H new ATOM 0 HG23 THR A 75 -1.717 4.183 -1.723 1.00 2.12 H new ATOM 1216 N LEU A 76 1.969 6.734 -2.341 1.00 5.11 N ATOM 1217 CA LEU A 76 3.381 6.441 -2.114 1.00 33.33 C ATOM 1218 C LEU A 76 3.753 6.730 -0.665 1.00 64.23 C ATOM 1219 O LEU A 76 4.506 5.983 -0.042 1.00 14.44 O ATOM 1220 CB LEU A 76 4.262 7.272 -3.053 1.00 53.43 C ATOM 1221 CG LEU A 76 4.106 6.962 -4.541 1.00 74.11 C ATOM 1222 CD1 LEU A 76 4.967 7.901 -5.374 1.00 14.34 C ATOM 1223 CD2 LEU A 76 4.469 5.512 -4.818 1.00 53.02 C ATOM 0 H LEU A 76 1.795 7.416 -3.079 1.00 5.11 H new ATOM 0 HA LEU A 76 3.549 5.384 -2.321 1.00 33.33 H new ATOM 0 HB2 LEU A 76 4.040 8.327 -2.894 1.00 53.43 H new ATOM 0 HB3 LEU A 76 5.305 7.120 -2.775 1.00 53.43 H new ATOM 0 HG LEU A 76 3.064 7.116 -4.822 1.00 74.11 H new ATOM 0 HD11 LEU A 76 4.844 7.666 -6.431 1.00 14.34 H new ATOM 0 HD12 LEU A 76 4.661 8.932 -5.193 1.00 14.34 H new ATOM 0 HD13 LEU A 76 6.014 7.779 -5.095 1.00 14.34 H new ATOM 0 HD21 LEU A 76 4.353 5.305 -5.882 1.00 53.02 H new ATOM 0 HD22 LEU A 76 5.503 5.333 -4.524 1.00 53.02 H new ATOM 0 HD23 LEU A 76 3.811 4.857 -4.247 1.00 53.02 H new ATOM 1235 N ARG A 77 3.201 7.813 -0.132 1.00 74.14 N ATOM 1236 CA ARG A 77 3.437 8.190 1.255 1.00 3.51 C ATOM 1237 C ARG A 77 2.801 7.160 2.182 1.00 74.34 C ATOM 1238 O ARG A 77 3.387 6.761 3.185 1.00 2.44 O ATOM 1239 CB ARG A 77 2.844 9.571 1.538 1.00 70.24 C ATOM 1240 CG ARG A 77 3.188 10.618 0.491 1.00 50.30 C ATOM 1241 CD ARG A 77 2.486 11.931 0.785 1.00 63.44 C ATOM 1242 NE ARG A 77 2.642 12.901 -0.298 1.00 73.25 N ATOM 1243 CZ ARG A 77 2.577 14.222 -0.126 1.00 35.30 C ATOM 1244 NH1 ARG A 77 2.444 14.729 1.092 1.00 51.31 N ATOM 1245 NH2 ARG A 77 2.651 15.040 -1.166 1.00 54.32 N ATOM 0 H ARG A 77 2.585 8.447 -0.641 1.00 74.14 H new ATOM 0 HA ARG A 77 4.512 8.225 1.432 1.00 3.51 H new ATOM 0 HB2 ARG A 77 1.760 9.483 1.606 1.00 70.24 H new ATOM 0 HB3 ARG A 77 3.197 9.915 2.510 1.00 70.24 H new ATOM 0 HG2 ARG A 77 4.266 10.775 0.469 1.00 50.30 H new ATOM 0 HG3 ARG A 77 2.898 10.259 -0.497 1.00 50.30 H new ATOM 0 HD2 ARG A 77 1.425 11.743 0.951 1.00 63.44 H new ATOM 0 HD3 ARG A 77 2.883 12.354 1.708 1.00 63.44 H new ATOM 0 HE ARG A 77 2.810 12.547 -1.240 1.00 73.25 H new ATOM 0 HH11 ARG A 77 2.391 14.108 1.900 1.00 51.31 H new ATOM 0 HH12 ARG A 77 2.395 15.740 1.221 1.00 51.31 H new ATOM 0 HH21 ARG A 77 2.758 14.661 -2.107 1.00 54.32 H new ATOM 0 HH22 ARG A 77 2.600 16.049 -1.026 1.00 54.32 H new ATOM 1259 N TRP A 78 1.597 6.738 1.822 1.00 23.34 N ATOM 1260 CA TRP A 78 0.863 5.731 2.579 1.00 73.14 C ATOM 1261 C TRP A 78 1.664 4.428 2.663 1.00 4.24 C ATOM 1262 O TRP A 78 1.791 3.832 3.734 1.00 74.32 O ATOM 1263 CB TRP A 78 -0.495 5.486 1.913 1.00 24.22 C ATOM 1264 CG TRP A 78 -1.482 4.745 2.767 1.00 2.42 C ATOM 1265 CD1 TRP A 78 -1.764 3.408 2.732 1.00 22.11 C ATOM 1266 CD2 TRP A 78 -2.334 5.307 3.771 1.00 2.21 C ATOM 1267 NE1 TRP A 78 -2.740 3.107 3.652 1.00 42.44 N ATOM 1268 CE2 TRP A 78 -3.103 4.255 4.304 1.00 73.42 C ATOM 1269 CE3 TRP A 78 -2.521 6.598 4.275 1.00 63.42 C ATOM 1270 CZ2 TRP A 78 -4.043 4.454 5.312 1.00 53.31 C ATOM 1271 CZ3 TRP A 78 -3.454 6.793 5.276 1.00 41.32 C ATOM 1272 CH2 TRP A 78 -4.204 5.726 5.785 1.00 44.43 C ATOM 0 H TRP A 78 1.102 7.082 0.999 1.00 23.34 H new ATOM 0 HA TRP A 78 0.705 6.093 3.595 1.00 73.14 H new ATOM 0 HB2 TRP A 78 -0.926 6.447 1.632 1.00 24.22 H new ATOM 0 HB3 TRP A 78 -0.338 4.925 0.992 1.00 24.22 H new ATOM 0 HD1 TRP A 78 -1.289 2.692 2.077 1.00 22.11 H new ATOM 0 HE1 TRP A 78 -3.130 2.180 3.821 1.00 42.44 H new ATOM 0 HE3 TRP A 78 -1.947 7.427 3.889 1.00 63.42 H new ATOM 0 HZ2 TRP A 78 -4.624 3.633 5.706 1.00 53.31 H new ATOM 0 HZ3 TRP A 78 -3.607 7.786 5.672 1.00 41.32 H new ATOM 0 HH2 TRP A 78 -4.925 5.912 6.568 1.00 44.43 H new ATOM 1283 N LEU A 79 2.211 4.004 1.526 1.00 73.21 N ATOM 1284 CA LEU A 79 3.028 2.795 1.461 1.00 1.42 C ATOM 1285 C LEU A 79 4.310 2.965 2.271 1.00 21.44 C ATOM 1286 O LEU A 79 4.685 2.085 3.047 1.00 41.20 O ATOM 1287 CB LEU A 79 3.371 2.465 0.005 1.00 73.02 C ATOM 1288 CG LEU A 79 2.169 2.219 -0.910 1.00 14.22 C ATOM 1289 CD1 LEU A 79 2.630 1.964 -2.336 1.00 13.11 C ATOM 1290 CD2 LEU A 79 1.342 1.049 -0.398 1.00 72.04 C ATOM 0 H LEU A 79 2.102 4.483 0.632 1.00 73.21 H new ATOM 0 HA LEU A 79 2.454 1.972 1.888 1.00 1.42 H new ATOM 0 HB2 LEU A 79 3.959 3.285 -0.407 1.00 73.02 H new ATOM 0 HB3 LEU A 79 4.005 1.579 -0.010 1.00 73.02 H new ATOM 0 HG LEU A 79 1.542 3.111 -0.906 1.00 14.22 H new ATOM 0 HD11 LEU A 79 1.763 1.791 -2.973 1.00 13.11 H new ATOM 0 HD12 LEU A 79 3.181 2.831 -2.701 1.00 13.11 H new ATOM 0 HD13 LEU A 79 3.277 1.087 -2.358 1.00 13.11 H new ATOM 0 HD21 LEU A 79 0.491 0.888 -1.060 1.00 72.04 H new ATOM 0 HD22 LEU A 79 1.959 0.151 -0.374 1.00 72.04 H new ATOM 0 HD23 LEU A 79 0.983 1.270 0.607 1.00 72.04 H new ATOM 1302 N LYS A 80 4.966 4.107 2.077 1.00 32.42 N ATOM 1303 CA LYS A 80 6.157 4.480 2.807 1.00 51.34 C ATOM 1304 C LYS A 80 5.961 4.236 4.306 1.00 52.34 C ATOM 1305 O LYS A 80 6.787 3.591 4.953 1.00 13.11 O ATOM 1306 CB LYS A 80 6.423 5.964 2.531 1.00 21.34 C ATOM 1307 CG LYS A 80 7.887 6.346 2.419 1.00 11.03 C ATOM 1308 CD LYS A 80 8.640 5.985 3.673 1.00 1.31 C ATOM 1309 CE LYS A 80 9.545 4.794 3.451 1.00 34.22 C ATOM 1310 NZ LYS A 80 10.927 5.210 3.102 1.00 3.22 N ATOM 0 H LYS A 80 4.673 4.806 1.394 1.00 32.42 H new ATOM 0 HA LYS A 80 7.007 3.878 2.486 1.00 51.34 H new ATOM 0 HB2 LYS A 80 5.919 6.241 1.605 1.00 21.34 H new ATOM 0 HB3 LYS A 80 5.970 6.553 3.329 1.00 21.34 H new ATOM 0 HG2 LYS A 80 8.334 5.839 1.564 1.00 11.03 H new ATOM 0 HG3 LYS A 80 7.973 7.417 2.235 1.00 11.03 H new ATOM 0 HD2 LYS A 80 9.233 6.838 4.001 1.00 1.31 H new ATOM 0 HD3 LYS A 80 7.933 5.762 4.472 1.00 1.31 H new ATOM 0 HE2 LYS A 80 9.566 4.181 4.352 1.00 34.22 H new ATOM 0 HE3 LYS A 80 9.139 4.173 2.652 1.00 34.22 H new ATOM 0 HZ1 LYS A 80 11.517 4.366 2.957 1.00 3.22 H new ATOM 0 HZ2 LYS A 80 10.910 5.774 2.228 1.00 3.22 H new ATOM 0 HZ3 LYS A 80 11.323 5.781 3.875 1.00 3.22 H new ATOM 1324 N ARG A 81 4.844 4.728 4.835 1.00 51.41 N ATOM 1325 CA ARG A 81 4.536 4.603 6.255 1.00 65.13 C ATOM 1326 C ARG A 81 4.250 3.151 6.634 1.00 4.53 C ATOM 1327 O ARG A 81 4.778 2.641 7.624 1.00 11.54 O ATOM 1328 CB ARG A 81 3.320 5.463 6.607 1.00 64.44 C ATOM 1329 CG ARG A 81 3.472 6.933 6.254 1.00 70.24 C ATOM 1330 CD ARG A 81 2.144 7.662 6.378 1.00 13.23 C ATOM 1331 NE ARG A 81 2.216 9.038 5.886 1.00 51.13 N ATOM 1332 CZ ARG A 81 1.328 9.577 5.045 1.00 64.35 C ATOM 1333 NH1 ARG A 81 0.336 8.836 4.559 1.00 11.01 N ATOM 1334 NH2 ARG A 81 1.438 10.850 4.685 1.00 0.42 N ATOM 0 H ARG A 81 4.132 5.221 4.296 1.00 51.41 H new ATOM 0 HA ARG A 81 5.406 4.945 6.815 1.00 65.13 H new ATOM 0 HB2 ARG A 81 2.446 5.066 6.090 1.00 64.44 H new ATOM 0 HB3 ARG A 81 3.125 5.376 7.676 1.00 64.44 H new ATOM 0 HG2 ARG A 81 4.208 7.395 6.913 1.00 70.24 H new ATOM 0 HG3 ARG A 81 3.850 7.029 5.236 1.00 70.24 H new ATOM 0 HD2 ARG A 81 1.381 7.119 5.820 1.00 13.23 H new ATOM 0 HD3 ARG A 81 1.832 7.668 7.422 1.00 13.23 H new ATOM 0 HE ARG A 81 2.990 9.621 6.204 1.00 51.13 H new ATOM 0 HH11 ARG A 81 0.253 7.856 4.828 1.00 11.01 H new ATOM 0 HH12 ARG A 81 -0.341 9.248 3.917 1.00 11.01 H new ATOM 0 HH21 ARG A 81 2.202 11.419 5.050 1.00 0.42 H new ATOM 0 HH22 ARG A 81 0.759 11.259 4.043 1.00 0.42 H new ATOM 1348 N MET A 82 3.417 2.488 5.838 1.00 21.21 N ATOM 1349 CA MET A 82 2.976 1.128 6.139 1.00 31.23 C ATOM 1350 C MET A 82 4.149 0.150 6.182 1.00 34.35 C ATOM 1351 O MET A 82 4.285 -0.626 7.131 1.00 33.22 O ATOM 1352 CB MET A 82 1.946 0.660 5.108 1.00 4.14 C ATOM 1353 CG MET A 82 1.370 -0.720 5.401 1.00 24.13 C ATOM 1354 SD MET A 82 0.128 -1.229 4.195 1.00 22.44 S ATOM 1355 CE MET A 82 1.102 -1.270 2.691 1.00 41.14 C ATOM 0 H MET A 82 3.032 2.872 4.975 1.00 21.21 H new ATOM 0 HA MET A 82 2.516 1.145 7.127 1.00 31.23 H new ATOM 0 HB2 MET A 82 1.131 1.383 5.067 1.00 4.14 H new ATOM 0 HB3 MET A 82 2.411 0.648 4.122 1.00 4.14 H new ATOM 0 HG2 MET A 82 2.178 -1.451 5.414 1.00 24.13 H new ATOM 0 HG3 MET A 82 0.925 -0.719 6.396 1.00 24.13 H new ATOM 0 HE1 MET A 82 0.590 -1.874 1.942 1.00 41.14 H new ATOM 0 HE2 MET A 82 1.231 -0.256 2.313 1.00 41.14 H new ATOM 0 HE3 MET A 82 2.079 -1.705 2.902 1.00 41.14 H new ATOM 1365 N PHE A 83 4.999 0.192 5.162 1.00 43.13 N ATOM 1366 CA PHE A 83 6.137 -0.717 5.090 1.00 3.33 C ATOM 1367 C PHE A 83 7.179 -0.371 6.148 1.00 65.41 C ATOM 1368 O PHE A 83 7.913 -1.241 6.610 1.00 12.41 O ATOM 1369 CB PHE A 83 6.770 -0.700 3.696 1.00 1.32 C ATOM 1370 CG PHE A 83 5.898 -1.293 2.625 1.00 53.44 C ATOM 1371 CD1 PHE A 83 5.558 -2.634 2.658 1.00 2.01 C ATOM 1372 CD2 PHE A 83 5.420 -0.511 1.587 1.00 32.52 C ATOM 1373 CE1 PHE A 83 4.755 -3.185 1.678 1.00 1.11 C ATOM 1374 CE2 PHE A 83 4.617 -1.056 0.602 1.00 31.11 C ATOM 1375 CZ PHE A 83 4.285 -2.395 0.648 1.00 71.14 C ATOM 0 H PHE A 83 4.923 0.841 4.379 1.00 43.13 H new ATOM 0 HA PHE A 83 5.767 -1.724 5.285 1.00 3.33 H new ATOM 0 HB2 PHE A 83 7.008 0.329 3.428 1.00 1.32 H new ATOM 0 HB3 PHE A 83 7.712 -1.247 3.729 1.00 1.32 H new ATOM 0 HD1 PHE A 83 5.925 -3.258 3.460 1.00 2.01 H new ATOM 0 HD2 PHE A 83 5.677 0.537 1.546 1.00 32.52 H new ATOM 0 HE1 PHE A 83 4.495 -4.233 1.718 1.00 1.11 H new ATOM 0 HE2 PHE A 83 4.250 -0.435 -0.202 1.00 31.11 H new ATOM 0 HZ PHE A 83 3.659 -2.824 -0.120 1.00 71.14 H new ATOM 1385 N ASN A 84 7.229 0.897 6.540 1.00 72.11 N ATOM 1386 CA ASN A 84 8.150 1.342 7.586 1.00 2.23 C ATOM 1387 C ASN A 84 7.796 0.696 8.919 1.00 51.22 C ATOM 1388 O ASN A 84 8.664 0.226 9.658 1.00 30.23 O ATOM 1389 CB ASN A 84 8.104 2.864 7.722 1.00 0.30 C ATOM 1390 CG ASN A 84 8.927 3.362 8.892 1.00 41.12 C ATOM 1391 OD1 ASN A 84 8.422 3.516 10.006 1.00 63.44 O ATOM 1392 ND2 ASN A 84 10.199 3.608 8.653 1.00 65.43 N ATOM 0 H ASN A 84 6.644 1.637 6.151 1.00 72.11 H new ATOM 0 HA ASN A 84 9.159 1.040 7.304 1.00 2.23 H new ATOM 0 HB2 ASN A 84 8.471 3.320 6.802 1.00 0.30 H new ATOM 0 HB3 ASN A 84 7.070 3.184 7.846 1.00 0.30 H new ATOM 0 HD21 ASN A 84 10.804 3.939 9.404 1.00 65.43 H new ATOM 0 HD22 ASN A 84 10.578 3.468 7.717 1.00 65.43 H new ATOM 1399 N TYR A 85 6.510 0.688 9.221 1.00 5.10 N ATOM 1400 CA TYR A 85 5.996 0.042 10.424 1.00 1.54 C ATOM 1401 C TYR A 85 6.343 -1.449 10.422 1.00 72.12 C ATOM 1402 O TYR A 85 6.587 -2.045 11.471 1.00 71.11 O ATOM 1403 CB TYR A 85 4.479 0.244 10.515 1.00 24.12 C ATOM 1404 CG TYR A 85 3.907 0.051 11.901 1.00 20.33 C ATOM 1405 CD1 TYR A 85 4.000 1.060 12.850 1.00 41.22 C ATOM 1406 CD2 TYR A 85 3.271 -1.131 12.262 1.00 60.53 C ATOM 1407 CE1 TYR A 85 3.477 0.899 14.118 1.00 31.42 C ATOM 1408 CE2 TYR A 85 2.746 -1.299 13.529 1.00 3.12 C ATOM 1409 CZ TYR A 85 2.853 -0.281 14.452 1.00 12.13 C ATOM 1410 OH TYR A 85 2.335 -0.448 15.715 1.00 1.23 O ATOM 0 H TYR A 85 5.792 1.126 8.644 1.00 5.10 H new ATOM 0 HA TYR A 85 6.464 0.497 11.297 1.00 1.54 H new ATOM 0 HB2 TYR A 85 4.237 1.250 10.172 1.00 24.12 H new ATOM 0 HB3 TYR A 85 3.990 -0.452 9.833 1.00 24.12 H new ATOM 0 HD1 TYR A 85 4.490 1.987 12.592 1.00 41.22 H new ATOM 0 HD2 TYR A 85 3.186 -1.931 11.541 1.00 60.53 H new ATOM 0 HE1 TYR A 85 3.557 1.695 14.844 1.00 31.42 H new ATOM 0 HE2 TYR A 85 2.254 -2.223 13.795 1.00 3.12 H new ATOM 0 HH TYR A 85 1.928 -1.336 15.787 1.00 1.23 H new ATOM 1420 N ALA A 86 6.369 -2.049 9.236 1.00 61.44 N ATOM 1421 CA ALA A 86 6.763 -3.445 9.098 1.00 15.20 C ATOM 1422 C ALA A 86 8.271 -3.605 9.283 1.00 42.24 C ATOM 1423 O ALA A 86 8.751 -4.670 9.674 1.00 61.52 O ATOM 1424 CB ALA A 86 6.325 -3.991 7.746 1.00 64.33 C ATOM 0 H ALA A 86 6.122 -1.591 8.359 1.00 61.44 H new ATOM 0 HA ALA A 86 6.265 -4.020 9.879 1.00 15.20 H new ATOM 0 HB1 ALA A 86 6.627 -5.035 7.660 1.00 64.33 H new ATOM 0 HB2 ALA A 86 5.241 -3.919 7.658 1.00 64.33 H new ATOM 0 HB3 ALA A 86 6.793 -3.411 6.950 1.00 64.33 H new ATOM 1430 N ILE A 87 9.016 -2.541 9.007 1.00 43.34 N ATOM 1431 CA ILE A 87 10.462 -2.550 9.190 1.00 62.43 C ATOM 1432 C ILE A 87 10.822 -2.468 10.672 1.00 71.32 C ATOM 1433 O ILE A 87 11.707 -3.184 11.142 1.00 33.32 O ATOM 1434 CB ILE A 87 11.148 -1.391 8.428 1.00 71.14 C ATOM 1435 CG1 ILE A 87 10.919 -1.537 6.922 1.00 70.42 C ATOM 1436 CG2 ILE A 87 12.640 -1.348 8.737 1.00 53.33 C ATOM 1437 CD1 ILE A 87 11.538 -0.428 6.097 1.00 61.30 C ATOM 0 H ILE A 87 8.642 -1.660 8.655 1.00 43.34 H new ATOM 0 HA ILE A 87 10.826 -3.492 8.780 1.00 62.43 H new ATOM 0 HB ILE A 87 10.704 -0.452 8.760 1.00 71.14 H new ATOM 0 HG12 ILE A 87 11.328 -2.493 6.593 1.00 70.42 H new ATOM 0 HG13 ILE A 87 9.847 -1.565 6.728 1.00 70.42 H new ATOM 0 HG21 ILE A 87 13.101 -0.526 8.190 1.00 53.33 H new ATOM 0 HG22 ILE A 87 12.786 -1.200 9.807 1.00 53.33 H new ATOM 0 HG23 ILE A 87 13.101 -2.288 8.435 1.00 53.33 H new ATOM 0 HD11 ILE A 87 11.333 -0.602 5.041 1.00 61.30 H new ATOM 0 HD12 ILE A 87 11.112 0.530 6.397 1.00 61.30 H new ATOM 0 HD13 ILE A 87 12.616 -0.412 6.259 1.00 61.30 H new ATOM 1449 N LYS A 88 10.119 -1.618 11.417 1.00 72.34 N ATOM 1450 CA LYS A 88 10.384 -1.471 12.847 1.00 35.14 C ATOM 1451 C LYS A 88 9.956 -2.728 13.604 1.00 12.35 C ATOM 1452 O LYS A 88 10.387 -2.971 14.731 1.00 24.25 O ATOM 1453 CB LYS A 88 9.690 -0.227 13.418 1.00 60.24 C ATOM 1454 CG LYS A 88 8.172 -0.280 13.389 1.00 55.45 C ATOM 1455 CD LYS A 88 7.561 1.022 13.886 1.00 73.23 C ATOM 1456 CE LYS A 88 7.910 2.186 12.972 1.00 14.42 C ATOM 1457 NZ LYS A 88 7.369 3.476 13.480 1.00 60.41 N ATOM 0 H LYS A 88 9.369 -1.026 11.060 1.00 72.34 H new ATOM 0 HA LYS A 88 11.458 -1.339 12.977 1.00 35.14 H new ATOM 0 HB2 LYS A 88 10.016 -0.086 14.449 1.00 60.24 H new ATOM 0 HB3 LYS A 88 10.021 0.647 12.857 1.00 60.24 H new ATOM 0 HG2 LYS A 88 7.833 -0.478 12.372 1.00 55.45 H new ATOM 0 HG3 LYS A 88 7.823 -1.107 14.008 1.00 55.45 H new ATOM 0 HD2 LYS A 88 6.478 0.917 13.946 1.00 73.23 H new ATOM 0 HD3 LYS A 88 7.917 1.231 14.895 1.00 73.23 H new ATOM 0 HE2 LYS A 88 8.993 2.260 12.877 1.00 14.42 H new ATOM 0 HE3 LYS A 88 7.514 1.995 11.974 1.00 14.42 H new ATOM 0 HZ1 LYS A 88 7.630 4.243 12.828 1.00 60.41 H new ATOM 0 HZ2 LYS A 88 6.333 3.416 13.547 1.00 60.41 H new ATOM 0 HZ3 LYS A 88 7.766 3.672 14.421 1.00 60.41 H new ATOM 1471 N ARG A 89 9.105 -3.524 12.968 1.00 1.33 N ATOM 1472 CA ARG A 89 8.704 -4.818 13.509 1.00 5.22 C ATOM 1473 C ARG A 89 9.665 -5.911 13.045 1.00 64.23 C ATOM 1474 O ARG A 89 9.535 -7.076 13.431 1.00 32.22 O ATOM 1475 CB ARG A 89 7.284 -5.160 13.060 1.00 54.13 C ATOM 1476 CG ARG A 89 6.253 -5.136 14.176 1.00 65.35 C ATOM 1477 CD ARG A 89 4.880 -5.517 13.651 1.00 45.43 C ATOM 1478 NE ARG A 89 3.907 -5.735 14.721 1.00 74.35 N ATOM 1479 CZ ARG A 89 2.645 -5.315 14.670 1.00 2.03 C ATOM 1480 NH1 ARG A 89 2.241 -4.549 13.666 1.00 50.32 N ATOM 1481 NH2 ARG A 89 1.787 -5.642 15.628 1.00 55.20 N ATOM 0 H ARG A 89 8.677 -3.294 12.071 1.00 1.33 H new ATOM 0 HA ARG A 89 8.732 -4.759 14.597 1.00 5.22 H new ATOM 0 HB2 ARG A 89 6.981 -4.455 12.286 1.00 54.13 H new ATOM 0 HB3 ARG A 89 7.288 -6.151 12.606 1.00 54.13 H new ATOM 0 HG2 ARG A 89 6.550 -5.826 14.966 1.00 65.35 H new ATOM 0 HG3 ARG A 89 6.214 -4.141 14.620 1.00 65.35 H new ATOM 0 HD2 ARG A 89 4.517 -4.730 12.990 1.00 45.43 H new ATOM 0 HD3 ARG A 89 4.964 -6.423 13.051 1.00 45.43 H new ATOM 0 HE ARG A 89 4.213 -6.238 15.554 1.00 74.35 H new ATOM 0 HH11 ARG A 89 2.897 -4.281 12.932 1.00 50.32 H new ATOM 0 HH12 ARG A 89 1.274 -4.227 13.627 1.00 50.32 H new ATOM 0 HH21 ARG A 89 2.093 -6.219 16.411 1.00 55.20 H new ATOM 0 HH22 ARG A 89 0.822 -5.316 15.581 1.00 55.20 H new ATOM 1495 N HIS A 90 10.628 -5.512 12.220 1.00 71.24 N ATOM 1496 CA HIS A 90 11.591 -6.414 11.608 1.00 74.25 C ATOM 1497 C HIS A 90 10.883 -7.548 10.867 1.00 70.51 C ATOM 1498 O HIS A 90 11.150 -8.727 11.090 1.00 53.35 O ATOM 1499 CB HIS A 90 12.581 -6.950 12.648 1.00 61.25 C ATOM 1500 CG HIS A 90 13.774 -7.621 12.034 1.00 60.12 C ATOM 1501 ND1 HIS A 90 14.938 -6.961 11.711 1.00 44.42 N ATOM 1502 CD2 HIS A 90 13.962 -8.904 11.673 1.00 33.42 C ATOM 1503 CE1 HIS A 90 15.791 -7.815 11.176 1.00 1.53 C ATOM 1504 NE2 HIS A 90 15.224 -9.005 11.141 1.00 41.54 N ATOM 0 H HIS A 90 10.761 -4.536 11.955 1.00 71.24 H new ATOM 0 HA HIS A 90 12.165 -5.850 10.873 1.00 74.25 H new ATOM 0 HB2 HIS A 90 12.919 -6.127 13.277 1.00 61.25 H new ATOM 0 HB3 HIS A 90 12.068 -7.659 13.298 1.00 61.25 H new ATOM 0 HD2 HIS A 90 13.249 -9.708 11.782 1.00 33.42 H new ATOM 0 HE1 HIS A 90 16.785 -7.579 10.826 1.00 1.53 H new ATOM 0 HE2 HIS A 90 15.651 -9.858 10.779 1.00 41.54 H new ATOM 1513 N ILE A 91 9.950 -7.177 10.007 1.00 12.13 N ATOM 1514 CA ILE A 91 9.330 -8.128 9.096 1.00 44.21 C ATOM 1515 C ILE A 91 10.001 -8.001 7.736 1.00 25.53 C ATOM 1516 O ILE A 91 10.316 -8.989 7.073 1.00 65.14 O ATOM 1517 CB ILE A 91 7.812 -7.879 8.948 1.00 44.32 C ATOM 1518 CG1 ILE A 91 7.138 -7.855 10.324 1.00 53.42 C ATOM 1519 CG2 ILE A 91 7.185 -8.950 8.063 1.00 13.45 C ATOM 1520 CD1 ILE A 91 5.666 -7.502 10.278 1.00 54.42 C ATOM 0 H ILE A 91 9.603 -6.222 9.919 1.00 12.13 H new ATOM 0 HA ILE A 91 9.459 -9.131 9.502 1.00 44.21 H new ATOM 0 HB ILE A 91 7.662 -6.908 8.475 1.00 44.32 H new ATOM 0 HG12 ILE A 91 7.253 -8.833 10.792 1.00 53.42 H new ATOM 0 HG13 ILE A 91 7.655 -7.135 10.959 1.00 53.42 H new ATOM 0 HG21 ILE A 91 6.116 -8.763 7.967 1.00 13.45 H new ATOM 0 HG22 ILE A 91 7.648 -8.924 7.076 1.00 13.45 H new ATOM 0 HG23 ILE A 91 7.343 -9.931 8.512 1.00 13.45 H new ATOM 0 HD11 ILE A 91 5.259 -7.505 11.289 1.00 54.42 H new ATOM 0 HD12 ILE A 91 5.543 -6.511 9.841 1.00 54.42 H new ATOM 0 HD13 ILE A 91 5.135 -8.235 9.671 1.00 54.42 H new ATOM 1532 N ILE A 92 10.235 -6.757 7.343 1.00 13.02 N ATOM 1533 CA ILE A 92 10.980 -6.455 6.136 1.00 53.53 C ATOM 1534 C ILE A 92 12.075 -5.452 6.450 1.00 0.44 C ATOM 1535 O ILE A 92 11.925 -4.623 7.342 1.00 33.43 O ATOM 1536 CB ILE A 92 10.082 -5.899 5.011 1.00 1.15 C ATOM 1537 CG1 ILE A 92 9.271 -4.699 5.511 1.00 33.32 C ATOM 1538 CG2 ILE A 92 9.168 -6.991 4.473 1.00 52.41 C ATOM 1539 CD1 ILE A 92 8.416 -4.056 4.443 1.00 72.53 C ATOM 0 H ILE A 92 9.914 -5.933 7.852 1.00 13.02 H new ATOM 0 HA ILE A 92 11.411 -7.391 5.779 1.00 53.53 H new ATOM 0 HB ILE A 92 10.719 -5.557 4.195 1.00 1.15 H new ATOM 0 HG12 ILE A 92 8.630 -5.021 6.332 1.00 33.32 H new ATOM 0 HG13 ILE A 92 9.955 -3.952 5.915 1.00 33.32 H new ATOM 0 HG21 ILE A 92 8.541 -6.583 3.680 1.00 52.41 H new ATOM 0 HG22 ILE A 92 9.771 -7.807 4.075 1.00 52.41 H new ATOM 0 HG23 ILE A 92 8.536 -7.366 5.278 1.00 52.41 H new ATOM 0 HD11 ILE A 92 7.871 -3.214 4.871 1.00 72.53 H new ATOM 0 HD12 ILE A 92 9.052 -3.702 3.632 1.00 72.53 H new ATOM 0 HD13 ILE A 92 7.707 -4.787 4.055 1.00 72.53 H new ATOM 1551 N GLU A 93 13.180 -5.539 5.733 1.00 20.24 N ATOM 1552 CA GLU A 93 14.312 -4.660 5.982 1.00 10.11 C ATOM 1553 C GLU A 93 14.884 -4.153 4.656 1.00 3.33 C ATOM 1554 O GLU A 93 15.978 -3.594 4.598 1.00 64.31 O ATOM 1555 CB GLU A 93 15.374 -5.424 6.786 1.00 53.12 C ATOM 1556 CG GLU A 93 16.453 -4.548 7.404 1.00 44.32 C ATOM 1557 CD GLU A 93 17.479 -5.348 8.182 1.00 34.33 C ATOM 1558 OE1 GLU A 93 18.282 -6.064 7.546 1.00 15.44 O ATOM 1559 OE2 GLU A 93 17.494 -5.264 9.429 1.00 34.22 O ATOM 0 H GLU A 93 13.320 -6.207 4.975 1.00 20.24 H new ATOM 0 HA GLU A 93 13.989 -3.794 6.560 1.00 10.11 H new ATOM 0 HB2 GLU A 93 14.878 -5.981 7.581 1.00 53.12 H new ATOM 0 HB3 GLU A 93 15.849 -6.156 6.132 1.00 53.12 H new ATOM 0 HG2 GLU A 93 16.956 -3.988 6.616 1.00 44.32 H new ATOM 0 HG3 GLU A 93 15.988 -3.818 8.067 1.00 44.32 H new ATOM 1566 N TYR A 94 14.119 -4.332 3.585 1.00 52.14 N ATOM 1567 CA TYR A 94 14.591 -3.972 2.252 1.00 75.22 C ATOM 1568 C TYR A 94 13.864 -2.740 1.714 1.00 2.41 C ATOM 1569 O TYR A 94 14.248 -2.196 0.680 1.00 2.21 O ATOM 1570 CB TYR A 94 14.403 -5.150 1.294 1.00 30.31 C ATOM 1571 CG TYR A 94 15.000 -6.442 1.808 1.00 43.01 C ATOM 1572 CD1 TYR A 94 16.374 -6.637 1.822 1.00 40.24 C ATOM 1573 CD2 TYR A 94 14.188 -7.461 2.293 1.00 1.23 C ATOM 1574 CE1 TYR A 94 16.922 -7.812 2.301 1.00 34.54 C ATOM 1575 CE2 TYR A 94 14.729 -8.637 2.774 1.00 65.32 C ATOM 1576 CZ TYR A 94 16.094 -8.808 2.776 1.00 3.45 C ATOM 1577 OH TYR A 94 16.634 -9.976 3.262 1.00 42.24 O ATOM 0 H TYR A 94 13.177 -4.721 3.612 1.00 52.14 H new ATOM 0 HA TYR A 94 15.651 -3.730 2.326 1.00 75.22 H new ATOM 0 HB2 TYR A 94 13.338 -5.296 1.114 1.00 30.31 H new ATOM 0 HB3 TYR A 94 14.858 -4.905 0.334 1.00 30.31 H new ATOM 0 HD1 TYR A 94 17.025 -5.858 1.453 1.00 40.24 H new ATOM 0 HD2 TYR A 94 13.116 -7.331 2.294 1.00 1.23 H new ATOM 0 HE1 TYR A 94 17.993 -7.950 2.303 1.00 34.54 H new ATOM 0 HE2 TYR A 94 14.084 -9.419 3.147 1.00 65.32 H new ATOM 0 HH TYR A 94 15.914 -10.571 3.558 1.00 42.24 H new ATOM 1587 N ASN A 95 12.834 -2.298 2.442 1.00 53.12 N ATOM 1588 CA ASN A 95 11.980 -1.196 2.031 1.00 62.20 C ATOM 1589 C ASN A 95 11.572 -1.325 0.558 1.00 41.13 C ATOM 1590 O ASN A 95 12.088 -0.617 -0.304 1.00 73.20 O ATOM 1591 CB ASN A 95 12.677 0.139 2.279 1.00 2.30 C ATOM 1592 CG ASN A 95 11.679 1.257 2.416 1.00 34.02 C ATOM 1593 OD1 ASN A 95 11.302 1.645 3.521 1.00 62.43 O ATOM 1594 ND2 ASN A 95 11.217 1.763 1.298 1.00 2.21 N ATOM 0 H ASN A 95 12.573 -2.704 3.341 1.00 53.12 H new ATOM 0 HA ASN A 95 11.072 -1.234 2.632 1.00 62.20 H new ATOM 0 HB2 ASN A 95 13.281 0.074 3.184 1.00 2.30 H new ATOM 0 HB3 ASN A 95 13.358 0.355 1.456 1.00 2.30 H new ATOM 0 HD21 ASN A 95 10.519 2.506 1.325 1.00 2.21 H new ATOM 0 HD22 ASN A 95 11.556 1.413 0.402 1.00 2.21 H new ATOM 1601 N PRO A 96 10.630 -2.233 0.258 1.00 43.21 N ATOM 1602 CA PRO A 96 10.227 -2.551 -1.125 1.00 22.24 C ATOM 1603 C PRO A 96 9.626 -1.355 -1.858 1.00 43.43 C ATOM 1604 O PRO A 96 9.625 -1.303 -3.088 1.00 33.43 O ATOM 1605 CB PRO A 96 9.174 -3.651 -0.951 1.00 40.13 C ATOM 1606 CG PRO A 96 9.405 -4.191 0.418 1.00 43.01 C ATOM 1607 CD PRO A 96 9.878 -3.029 1.236 1.00 3.51 C ATOM 0 HA PRO A 96 11.083 -2.849 -1.730 1.00 22.24 H new ATOM 0 HB2 PRO A 96 8.165 -3.251 -1.053 1.00 40.13 H new ATOM 0 HB3 PRO A 96 9.287 -4.429 -1.706 1.00 40.13 H new ATOM 0 HG2 PRO A 96 8.490 -4.615 0.832 1.00 43.01 H new ATOM 0 HG3 PRO A 96 10.148 -4.989 0.404 1.00 43.01 H new ATOM 0 HD2 PRO A 96 9.046 -2.468 1.662 1.00 3.51 H new ATOM 0 HD3 PRO A 96 10.506 -3.348 2.068 1.00 3.51 H new ATOM 1615 N ALA A 97 9.137 -0.383 -1.101 1.00 65.22 N ATOM 1616 CA ALA A 97 8.520 0.801 -1.682 1.00 2.22 C ATOM 1617 C ALA A 97 9.570 1.784 -2.186 1.00 53.43 C ATOM 1618 O ALA A 97 9.235 2.821 -2.751 1.00 55.22 O ATOM 1619 CB ALA A 97 7.611 1.473 -0.664 1.00 4.44 C ATOM 0 H ALA A 97 9.156 -0.391 -0.081 1.00 65.22 H new ATOM 0 HA ALA A 97 7.923 0.484 -2.537 1.00 2.22 H new ATOM 0 HB1 ALA A 97 7.156 2.357 -1.110 1.00 4.44 H new ATOM 0 HB2 ALA A 97 6.830 0.777 -0.359 1.00 4.44 H new ATOM 0 HB3 ALA A 97 8.196 1.767 0.208 1.00 4.44 H new ATOM 1625 N ALA A 98 10.846 1.438 -2.002 1.00 61.20 N ATOM 1626 CA ALA A 98 11.944 2.322 -2.383 1.00 40.33 C ATOM 1627 C ALA A 98 12.026 2.505 -3.892 1.00 0.23 C ATOM 1628 O ALA A 98 12.687 3.422 -4.372 1.00 5.22 O ATOM 1629 CB ALA A 98 13.263 1.791 -1.855 1.00 12.35 C ATOM 0 H ALA A 98 11.142 0.552 -1.592 1.00 61.20 H new ATOM 0 HA ALA A 98 11.744 3.296 -1.937 1.00 40.33 H new ATOM 0 HB1 ALA A 98 14.069 2.463 -2.149 1.00 12.35 H new ATOM 0 HB2 ALA A 98 13.221 1.728 -0.768 1.00 12.35 H new ATOM 0 HB3 ALA A 98 13.448 0.800 -2.269 1.00 12.35 H new ATOM 1635 N ALA A 99 11.351 1.635 -4.636 1.00 23.23 N ATOM 1636 CA ALA A 99 11.326 1.724 -6.091 1.00 73.32 C ATOM 1637 C ALA A 99 10.717 3.046 -6.545 1.00 21.41 C ATOM 1638 O ALA A 99 11.100 3.601 -7.573 1.00 70.10 O ATOM 1639 CB ALA A 99 10.553 0.551 -6.676 1.00 32.03 C ATOM 0 H ALA A 99 10.812 0.858 -4.253 1.00 23.23 H new ATOM 0 HA ALA A 99 12.353 1.683 -6.455 1.00 73.32 H new ATOM 0 HB1 ALA A 99 10.541 0.629 -7.763 1.00 32.03 H new ATOM 0 HB2 ALA A 99 11.033 -0.383 -6.384 1.00 32.03 H new ATOM 0 HB3 ALA A 99 9.530 0.566 -6.300 1.00 32.03 H new ATOM 1645 N PHE A 100 9.775 3.548 -5.759 1.00 50.33 N ATOM 1646 CA PHE A 100 9.125 4.820 -6.041 1.00 10.21 C ATOM 1647 C PHE A 100 9.046 5.651 -4.772 1.00 50.44 C ATOM 1648 O PHE A 100 8.127 6.447 -4.589 1.00 14.00 O ATOM 1649 CB PHE A 100 7.727 4.594 -6.622 1.00 21.30 C ATOM 1650 CG PHE A 100 7.748 4.038 -8.017 1.00 43.53 C ATOM 1651 CD1 PHE A 100 7.886 4.882 -9.107 1.00 62.25 C ATOM 1652 CD2 PHE A 100 7.640 2.677 -8.237 1.00 64.04 C ATOM 1653 CE1 PHE A 100 7.915 4.376 -10.390 1.00 11.23 C ATOM 1654 CE2 PHE A 100 7.669 2.165 -9.518 1.00 35.41 C ATOM 1655 CZ PHE A 100 7.806 3.016 -10.596 1.00 2.44 C ATOM 0 H PHE A 100 9.441 3.088 -4.912 1.00 50.33 H new ATOM 0 HA PHE A 100 9.716 5.360 -6.781 1.00 10.21 H new ATOM 0 HB2 PHE A 100 7.178 3.911 -5.974 1.00 21.30 H new ATOM 0 HB3 PHE A 100 7.184 5.539 -6.623 1.00 21.30 H new ATOM 0 HD1 PHE A 100 7.972 5.947 -8.951 1.00 62.25 H new ATOM 0 HD2 PHE A 100 7.532 2.007 -7.397 1.00 64.04 H new ATOM 0 HE1 PHE A 100 8.023 5.043 -11.232 1.00 11.23 H new ATOM 0 HE2 PHE A 100 7.585 1.100 -9.677 1.00 35.41 H new ATOM 0 HZ PHE A 100 7.828 2.618 -11.600 1.00 2.44 H new