USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 697 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 Single : A 10 ASN : amide:sc= 0.0116 X(o=0.012,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= -0.0338 (180deg=-0.2) USER MOD Single : A 23 GLN : amide:sc= -0.581 K(o=-0.58,f=-1.7) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc=-0.00216 (180deg=-0.358) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.361 K(o=-0.36,f=-1.1) USER MOD Single : A 37 TYR OH : rot -15:sc= -0.0901 USER MOD Single : A 38 GLN : amide:sc= -1.95 X(o=-2,f=-1.8) USER MOD Single : A 39 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0.037) USER MOD Single : A 42 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -137:sc= -0.377 (180deg=-1.08) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.559 K(o=-0.56,f=-2.9!) USER MOD Single : A 60 SER OG : rot -64:sc= 0.947 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 74:sc= -0.166 USER MOD Single : A 66 THR OG1 : rot 74:sc= 0.0824 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.74) USER MOD Single : B 122 GLN : amide:sc= -2.02! K(o=-2!,f=-0.38) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.779 -8.191 2.914 1.00 10.50 N ATOM 2 CA ASN A 10 -11.365 -7.857 3.039 1.00 0.42 C ATOM 3 C ASN A 10 -10.789 -7.420 1.696 1.00 61.00 C ATOM 4 O ASN A 10 -9.935 -6.537 1.634 1.00 24.20 O ATOM 5 CB ASN A 10 -10.582 -9.055 3.577 1.00 52.10 C ATOM 6 CG ASN A 10 -9.455 -8.641 4.503 1.00 43.50 C ATOM 7 OD1 ASN A 10 -9.370 -9.101 5.642 1.00 54.50 O ATOM 8 ND2 ASN A 10 -8.582 -7.767 4.017 1.00 71.50 N ATOM 0 HA ASN A 10 -11.274 -7.028 3.741 1.00 0.42 H new ATOM 0 HB2 ASN A 10 -11.261 -9.719 4.111 1.00 52.10 H new ATOM 0 HB3 ASN A 10 -10.172 -9.622 2.741 1.00 52.10 H new ATOM 0 HD21 ASN A 10 -7.802 -7.451 4.593 1.00 71.50 H new ATOM 0 HD22 ASN A 10 -8.691 -7.412 3.067 1.00 71.50 H new ATOM 15 N LEU A 11 -11.260 -8.045 0.624 1.00 25.20 N ATOM 16 CA LEU A 11 -10.792 -7.720 -0.718 1.00 31.10 C ATOM 17 C LEU A 11 -11.286 -6.343 -1.149 1.00 0.35 C ATOM 18 O LEU A 11 -10.578 -5.604 -1.834 1.00 52.20 O ATOM 19 CB LEU A 11 -11.264 -8.780 -1.715 1.00 73.10 C ATOM 20 CG LEU A 11 -10.281 -9.075 -2.850 1.00 33.20 C ATOM 21 CD1 LEU A 11 -10.596 -10.425 -3.484 1.00 53.30 C ATOM 22 CD2 LEU A 11 -10.329 -7.971 -3.896 1.00 64.20 C ATOM 0 H LEU A 11 -11.966 -8.780 0.658 1.00 25.20 H new ATOM 0 HA LEU A 11 -9.702 -7.705 -0.702 1.00 31.10 H new ATOM 0 HB2 LEU A 11 -11.461 -9.705 -1.174 1.00 73.10 H new ATOM 0 HB3 LEU A 11 -12.210 -8.456 -2.148 1.00 73.10 H new ATOM 0 HG LEU A 11 -9.273 -9.112 -2.436 1.00 33.20 H new ATOM 0 HD11 LEU A 11 -9.889 -10.622 -4.290 1.00 53.30 H new ATOM 0 HD12 LEU A 11 -10.515 -11.209 -2.731 1.00 53.30 H new ATOM 0 HD13 LEU A 11 -11.609 -10.411 -3.885 1.00 53.30 H new ATOM 0 HD21 LEU A 11 -9.624 -8.197 -4.696 1.00 64.20 H new ATOM 0 HD22 LEU A 11 -11.336 -7.904 -4.308 1.00 64.20 H new ATOM 0 HD23 LEU A 11 -10.062 -7.020 -3.434 1.00 64.20 H new ATOM 34 N GLN A 12 -12.502 -6.001 -0.739 1.00 74.50 N ATOM 35 CA GLN A 12 -13.097 -4.716 -1.086 1.00 21.20 C ATOM 36 C GLN A 12 -12.249 -3.566 -0.539 1.00 25.40 C ATOM 37 O GLN A 12 -11.914 -2.630 -1.265 1.00 65.00 O ATOM 38 CB GLN A 12 -14.518 -4.619 -0.537 1.00 62.20 C ATOM 39 CG GLN A 12 -15.400 -3.648 -1.302 1.00 73.00 C ATOM 40 CD GLN A 12 -16.834 -4.142 -1.436 1.00 50.20 C ATOM 41 OE1 GLN A 12 -17.638 -3.983 -0.519 1.00 64.40 O ATOM 42 NE2 GLN A 12 -17.149 -4.739 -2.577 1.00 64.10 N ATOM 0 H GLN A 12 -13.097 -6.598 -0.164 1.00 74.50 H new ATOM 0 HA GLN A 12 -13.133 -4.641 -2.173 1.00 21.20 H new ATOM 0 HB2 GLN A 12 -14.976 -5.608 -0.560 1.00 62.20 H new ATOM 0 HB3 GLN A 12 -14.475 -4.312 0.508 1.00 62.20 H new ATOM 0 HG2 GLN A 12 -15.398 -2.683 -0.795 1.00 73.00 H new ATOM 0 HG3 GLN A 12 -14.981 -3.487 -2.295 1.00 73.00 H new ATOM 0 HE21 GLN A 12 -16.445 -4.846 -3.308 1.00 64.10 H new ATOM 0 HE22 GLN A 12 -18.095 -5.091 -2.724 1.00 64.10 H new ATOM 51 N LYS A 13 -11.912 -3.648 0.740 1.00 55.30 N ATOM 52 CA LYS A 13 -11.107 -2.616 1.383 1.00 12.30 C ATOM 53 C LYS A 13 -9.717 -2.543 0.758 1.00 54.20 C ATOM 54 O LYS A 13 -9.153 -1.460 0.600 1.00 30.20 O ATOM 55 CB LYS A 13 -10.991 -2.891 2.883 1.00 61.30 C ATOM 56 CG LYS A 13 -12.099 -2.254 3.706 1.00 53.10 C ATOM 57 CD LYS A 13 -13.404 -3.021 3.570 1.00 1.11 C ATOM 58 CE LYS A 13 -14.227 -2.951 4.846 1.00 71.30 C ATOM 59 NZ LYS A 13 -13.828 -4.002 5.822 1.00 41.00 N ATOM 0 H LYS A 13 -12.182 -4.417 1.353 1.00 55.30 H new ATOM 0 HA LYS A 13 -11.604 -1.657 1.234 1.00 12.30 H new ATOM 0 HB2 LYS A 13 -11.001 -3.968 3.048 1.00 61.30 H new ATOM 0 HB3 LYS A 13 -10.028 -2.523 3.238 1.00 61.30 H new ATOM 0 HG2 LYS A 13 -11.802 -2.221 4.754 1.00 53.10 H new ATOM 0 HG3 LYS A 13 -12.246 -1.223 3.384 1.00 53.10 H new ATOM 0 HD2 LYS A 13 -13.982 -2.614 2.740 1.00 1.11 H new ATOM 0 HD3 LYS A 13 -13.192 -4.063 3.329 1.00 1.11 H new ATOM 0 HE2 LYS A 13 -14.107 -1.968 5.302 1.00 71.30 H new ATOM 0 HE3 LYS A 13 -15.284 -3.063 4.603 1.00 71.30 H new ATOM 0 HZ1 LYS A 13 -14.413 -3.920 6.678 1.00 41.00 H new ATOM 0 HZ2 LYS A 13 -13.966 -4.941 5.397 1.00 41.00 H new ATOM 0 HZ3 LYS A 13 -12.826 -3.880 6.074 1.00 41.00 H new ATOM 73 N ALA A 14 -9.170 -3.703 0.407 1.00 15.20 N ATOM 74 CA ALA A 14 -7.846 -3.770 -0.200 1.00 3.45 C ATOM 75 C ALA A 14 -7.801 -2.986 -1.507 1.00 55.20 C ATOM 76 O ALA A 14 -6.930 -2.139 -1.704 1.00 1.22 O ATOM 77 CB ALA A 14 -7.449 -5.220 -0.438 1.00 42.40 C ATOM 0 H ALA A 14 -9.623 -4.608 0.533 1.00 15.20 H new ATOM 0 HA ALA A 14 -7.133 -3.317 0.489 1.00 3.45 H new ATOM 0 HB1 ALA A 14 -6.459 -5.256 -0.892 1.00 42.40 H new ATOM 0 HB2 ALA A 14 -7.433 -5.753 0.512 1.00 42.40 H new ATOM 0 HB3 ALA A 14 -8.171 -5.690 -1.106 1.00 42.40 H new ATOM 83 N ILE A 15 -8.745 -3.273 -2.397 1.00 5.03 N ATOM 84 CA ILE A 15 -8.813 -2.594 -3.685 1.00 1.52 C ATOM 85 C ILE A 15 -9.352 -1.176 -3.530 1.00 32.10 C ATOM 86 O ILE A 15 -8.880 -0.246 -4.185 1.00 61.30 O ATOM 87 CB ILE A 15 -9.697 -3.361 -4.677 1.00 31.50 C ATOM 88 CG1 ILE A 15 -9.308 -4.840 -4.703 1.00 74.00 C ATOM 89 CG2 ILE A 15 -9.586 -2.753 -6.067 1.00 3.12 C ATOM 90 CD1 ILE A 15 -7.896 -5.084 -5.191 1.00 12.20 C ATOM 0 H ILE A 15 -9.474 -3.971 -2.250 1.00 5.03 H new ATOM 0 HA ILE A 15 -7.796 -2.553 -4.075 1.00 1.52 H new ATOM 0 HB ILE A 15 -10.734 -3.284 -4.351 1.00 31.50 H new ATOM 0 HG12 ILE A 15 -9.414 -5.253 -3.700 1.00 74.00 H new ATOM 0 HG13 ILE A 15 -10.004 -5.380 -5.345 1.00 74.00 H new ATOM 0 HG21 ILE A 15 -10.219 -3.309 -6.759 1.00 3.12 H new ATOM 0 HG22 ILE A 15 -9.909 -1.712 -6.036 1.00 3.12 H new ATOM 0 HG23 ILE A 15 -8.550 -2.802 -6.404 1.00 3.12 H new ATOM 0 HD11 ILE A 15 -7.688 -6.154 -5.183 1.00 12.20 H new ATOM 0 HD12 ILE A 15 -7.791 -4.701 -6.206 1.00 12.20 H new ATOM 0 HD13 ILE A 15 -7.191 -4.573 -4.535 1.00 12.20 H new ATOM 102 N ASP A 16 -10.345 -1.017 -2.662 1.00 64.20 N ATOM 103 CA ASP A 16 -10.950 0.288 -2.422 1.00 35.50 C ATOM 104 C ASP A 16 -9.942 1.248 -1.798 1.00 2.33 C ATOM 105 O ASP A 16 -9.838 2.406 -2.206 1.00 40.10 O ATOM 106 CB ASP A 16 -12.170 0.149 -1.510 1.00 24.10 C ATOM 107 CG ASP A 16 -12.894 1.465 -1.306 1.00 21.00 C ATOM 108 OD1 ASP A 16 -12.292 2.389 -0.719 1.00 73.50 O ATOM 109 OD2 ASP A 16 -14.056 1.575 -1.729 1.00 45.10 O ATOM 0 H ASP A 16 -10.748 -1.776 -2.113 1.00 64.20 H new ATOM 0 HA ASP A 16 -11.267 0.695 -3.382 1.00 35.50 H new ATOM 0 HB2 ASP A 16 -12.859 -0.579 -1.939 1.00 24.10 H new ATOM 0 HB3 ASP A 16 -11.854 -0.242 -0.543 1.00 24.10 H new ATOM 114 N LEU A 17 -9.203 0.761 -0.808 1.00 70.20 N ATOM 115 CA LEU A 17 -8.202 1.576 -0.129 1.00 0.03 C ATOM 116 C LEU A 17 -7.125 2.041 -1.103 1.00 13.10 C ATOM 117 O LEU A 17 -6.770 3.219 -1.136 1.00 22.20 O ATOM 118 CB LEU A 17 -7.564 0.788 1.017 1.00 63.20 C ATOM 119 CG LEU A 17 -8.447 0.614 2.254 1.00 51.00 C ATOM 120 CD1 LEU A 17 -7.908 -0.499 3.140 1.00 30.40 C ATOM 121 CD2 LEU A 17 -8.537 1.919 3.029 1.00 15.30 C ATOM 0 H LEU A 17 -9.278 -0.194 -0.457 1.00 70.20 H new ATOM 0 HA LEU A 17 -8.702 2.455 0.277 1.00 0.03 H new ATOM 0 HB2 LEU A 17 -7.284 -0.199 0.648 1.00 63.20 H new ATOM 0 HB3 LEU A 17 -6.643 1.290 1.314 1.00 63.20 H new ATOM 0 HG LEU A 17 -9.450 0.338 1.928 1.00 51.00 H new ATOM 0 HD11 LEU A 17 -8.548 -0.609 4.015 1.00 30.40 H new ATOM 0 HD12 LEU A 17 -7.894 -1.434 2.581 1.00 30.40 H new ATOM 0 HD13 LEU A 17 -6.896 -0.252 3.460 1.00 30.40 H new ATOM 0 HD21 LEU A 17 -9.169 1.778 3.906 1.00 15.30 H new ATOM 0 HD22 LEU A 17 -7.539 2.224 3.345 1.00 15.30 H new ATOM 0 HD23 LEU A 17 -8.967 2.692 2.392 1.00 15.30 H new ATOM 133 N ALA A 18 -6.610 1.108 -1.897 1.00 71.30 N ATOM 134 CA ALA A 18 -5.573 1.422 -2.873 1.00 54.30 C ATOM 135 C ALA A 18 -6.082 2.411 -3.916 1.00 60.30 C ATOM 136 O ALA A 18 -5.422 3.404 -4.219 1.00 2.23 O ATOM 137 CB ALA A 18 -5.080 0.150 -3.546 1.00 23.10 C ATOM 0 H ALA A 18 -6.894 0.128 -1.884 1.00 71.30 H new ATOM 0 HA ALA A 18 -4.741 1.887 -2.345 1.00 54.30 H new ATOM 0 HB1 ALA A 18 -4.306 0.399 -4.272 1.00 23.10 H new ATOM 0 HB2 ALA A 18 -4.669 -0.524 -2.794 1.00 23.10 H new ATOM 0 HB3 ALA A 18 -5.911 -0.338 -4.055 1.00 23.10 H new ATOM 143 N SER A 19 -7.263 2.133 -4.461 1.00 23.40 N ATOM 144 CA SER A 19 -7.860 2.998 -5.470 1.00 65.40 C ATOM 145 C SER A 19 -8.217 4.359 -4.878 1.00 51.50 C ATOM 146 O SER A 19 -8.176 5.377 -5.569 1.00 12.10 O ATOM 147 CB SER A 19 -9.110 2.342 -6.059 1.00 70.30 C ATOM 148 OG SER A 19 -9.399 2.856 -7.347 1.00 44.30 O ATOM 0 H SER A 19 -7.824 1.316 -4.220 1.00 23.40 H new ATOM 0 HA SER A 19 -7.128 3.148 -6.264 1.00 65.40 H new ATOM 0 HB2 SER A 19 -8.964 1.264 -6.119 1.00 70.30 H new ATOM 0 HB3 SER A 19 -9.959 2.512 -5.397 1.00 70.30 H new ATOM 0 HG SER A 19 -10.201 2.419 -7.701 1.00 44.30 H new ATOM 154 N LYS A 20 -8.566 4.367 -3.596 1.00 15.10 N ATOM 155 CA LYS A 20 -8.930 5.602 -2.911 1.00 13.00 C ATOM 156 C LYS A 20 -7.689 6.419 -2.566 1.00 72.30 C ATOM 157 O LYS A 20 -7.727 7.649 -2.551 1.00 34.50 O ATOM 158 CB LYS A 20 -9.720 5.290 -1.639 1.00 45.30 C ATOM 159 CG LYS A 20 -10.423 6.501 -1.048 1.00 61.30 C ATOM 160 CD LYS A 20 -11.630 6.095 -0.218 1.00 15.10 C ATOM 161 CE LYS A 20 -12.107 7.234 0.668 1.00 12.30 C ATOM 162 NZ LYS A 20 -11.565 7.127 2.051 1.00 54.20 N ATOM 0 H LYS A 20 -8.605 3.533 -3.011 1.00 15.10 H new ATOM 0 HA LYS A 20 -9.555 6.191 -3.583 1.00 13.00 H new ATOM 0 HB2 LYS A 20 -10.461 4.522 -1.861 1.00 45.30 H new ATOM 0 HB3 LYS A 20 -9.043 4.874 -0.893 1.00 45.30 H new ATOM 0 HG2 LYS A 20 -9.724 7.061 -0.426 1.00 61.30 H new ATOM 0 HG3 LYS A 20 -10.740 7.167 -1.851 1.00 61.30 H new ATOM 0 HD2 LYS A 20 -12.439 5.784 -0.879 1.00 15.10 H new ATOM 0 HD3 LYS A 20 -11.375 5.234 0.400 1.00 15.10 H new ATOM 0 HE2 LYS A 20 -11.803 8.185 0.232 1.00 12.30 H new ATOM 0 HE3 LYS A 20 -13.196 7.234 0.704 1.00 12.30 H new ATOM 0 HZ1 LYS A 20 -12.293 7.421 2.733 1.00 54.20 H new ATOM 0 HZ2 LYS A 20 -11.290 6.142 2.241 1.00 54.20 H new ATOM 0 HZ3 LYS A 20 -10.733 7.743 2.146 1.00 54.20 H new ATOM 176 N ALA A 21 -6.590 5.726 -2.288 1.00 32.30 N ATOM 177 CA ALA A 21 -5.337 6.386 -1.943 1.00 50.20 C ATOM 178 C ALA A 21 -4.699 7.032 -3.168 1.00 14.40 C ATOM 179 O ALA A 21 -4.074 8.088 -3.071 1.00 20.30 O ATOM 180 CB ALA A 21 -4.376 5.393 -1.306 1.00 11.10 C ATOM 0 H ALA A 21 -6.542 4.707 -2.295 1.00 32.30 H new ATOM 0 HA ALA A 21 -5.557 7.175 -1.224 1.00 50.20 H new ATOM 0 HB1 ALA A 21 -3.444 5.899 -1.053 1.00 11.10 H new ATOM 0 HB2 ALA A 21 -4.823 4.983 -0.400 1.00 11.10 H new ATOM 0 HB3 ALA A 21 -4.171 4.584 -2.007 1.00 11.10 H new ATOM 186 N ALA A 22 -4.861 6.390 -4.320 1.00 3.34 N ATOM 187 CA ALA A 22 -4.300 6.901 -5.565 1.00 11.10 C ATOM 188 C ALA A 22 -5.023 8.166 -6.015 1.00 53.00 C ATOM 189 O ALA A 22 -4.392 9.144 -6.416 1.00 31.40 O ATOM 190 CB ALA A 22 -4.371 5.838 -6.650 1.00 31.20 C ATOM 0 H ALA A 22 -5.376 5.515 -4.417 1.00 3.34 H new ATOM 0 HA ALA A 22 -3.255 7.155 -5.386 1.00 11.10 H new ATOM 0 HB1 ALA A 22 -3.949 6.233 -7.574 1.00 31.20 H new ATOM 0 HB2 ALA A 22 -3.804 4.961 -6.338 1.00 31.20 H new ATOM 0 HB3 ALA A 22 -5.411 5.557 -6.817 1.00 31.20 H new ATOM 196 N GLN A 23 -6.350 8.141 -5.946 1.00 2.21 N ATOM 197 CA GLN A 23 -7.158 9.287 -6.348 1.00 63.50 C ATOM 198 C GLN A 23 -6.813 10.517 -5.514 1.00 71.20 C ATOM 199 O GLN A 23 -6.706 11.625 -6.039 1.00 2.42 O ATOM 200 CB GLN A 23 -8.646 8.963 -6.207 1.00 21.40 C ATOM 201 CG GLN A 23 -9.031 8.460 -4.826 1.00 34.40 C ATOM 202 CD GLN A 23 -10.526 8.244 -4.679 1.00 11.40 C ATOM 203 OE1 GLN A 23 -11.060 7.215 -5.093 1.00 25.40 O ATOM 204 NE2 GLN A 23 -11.209 9.218 -4.088 1.00 71.20 N ATOM 0 H GLN A 23 -6.889 7.340 -5.616 1.00 2.21 H new ATOM 0 HA GLN A 23 -6.938 9.506 -7.393 1.00 63.50 H new ATOM 0 HB2 GLN A 23 -9.227 9.857 -6.434 1.00 21.40 H new ATOM 0 HB3 GLN A 23 -8.917 8.210 -6.947 1.00 21.40 H new ATOM 0 HG2 GLN A 23 -8.511 7.523 -4.627 1.00 34.40 H new ATOM 0 HG3 GLN A 23 -8.696 9.176 -4.076 1.00 34.40 H new ATOM 0 HE21 GLN A 23 -10.725 10.054 -3.760 1.00 71.20 H new ATOM 0 HE22 GLN A 23 -12.217 9.130 -3.962 1.00 71.20 H new ATOM 213 N GLU A 24 -6.640 10.315 -4.211 1.00 23.10 N ATOM 214 CA GLU A 24 -6.307 11.408 -3.305 1.00 70.30 C ATOM 215 C GLU A 24 -4.949 12.009 -3.655 1.00 60.30 C ATOM 216 O GLU A 24 -4.742 13.216 -3.525 1.00 4.21 O ATOM 217 CB GLU A 24 -6.305 10.917 -1.857 1.00 23.30 C ATOM 218 CG GLU A 24 -7.645 11.072 -1.158 1.00 43.40 C ATOM 219 CD GLU A 24 -8.785 10.443 -1.935 1.00 22.00 C ATOM 220 OE1 GLU A 24 -9.222 11.044 -2.939 1.00 3.43 O ATOM 221 OE2 GLU A 24 -9.241 9.350 -1.539 1.00 62.10 O ATOM 0 H GLU A 24 -6.725 9.404 -3.760 1.00 23.10 H new ATOM 0 HA GLU A 24 -7.066 12.183 -3.415 1.00 70.30 H new ATOM 0 HB2 GLU A 24 -6.015 9.866 -1.839 1.00 23.30 H new ATOM 0 HB3 GLU A 24 -5.548 11.466 -1.297 1.00 23.30 H new ATOM 0 HG2 GLU A 24 -7.589 10.617 -0.169 1.00 43.40 H new ATOM 0 HG3 GLU A 24 -7.853 12.132 -1.010 1.00 43.40 H new ATOM 228 N ASP A 25 -4.028 11.160 -4.098 1.00 4.33 N ATOM 229 CA ASP A 25 -2.690 11.608 -4.466 1.00 22.20 C ATOM 230 C ASP A 25 -2.752 12.642 -5.585 1.00 51.10 C ATOM 231 O ASP A 25 -2.160 13.717 -5.483 1.00 32.00 O ATOM 232 CB ASP A 25 -1.833 10.418 -4.903 1.00 53.10 C ATOM 233 CG ASP A 25 -0.393 10.810 -5.172 1.00 41.10 C ATOM 234 OD1 ASP A 25 0.320 11.146 -4.203 1.00 70.10 O ATOM 235 OD2 ASP A 25 0.020 10.782 -6.350 1.00 32.30 O ATOM 0 H ASP A 25 -4.183 10.158 -4.211 1.00 4.33 H new ATOM 0 HA ASP A 25 -2.236 12.072 -3.591 1.00 22.20 H new ATOM 0 HB2 ASP A 25 -1.859 9.651 -4.129 1.00 53.10 H new ATOM 0 HB3 ASP A 25 -2.261 9.977 -5.803 1.00 53.10 H new ATOM 240 N LYS A 26 -3.473 12.311 -6.651 1.00 64.40 N ATOM 241 CA LYS A 26 -3.614 13.212 -7.789 1.00 12.50 C ATOM 242 C LYS A 26 -4.679 14.270 -7.516 1.00 70.30 C ATOM 243 O LYS A 26 -4.599 15.390 -8.020 1.00 11.50 O ATOM 244 CB LYS A 26 -3.974 12.424 -9.049 1.00 52.10 C ATOM 245 CG LYS A 26 -4.102 13.289 -10.292 1.00 41.30 C ATOM 246 CD LYS A 26 -2.744 13.640 -10.862 1.00 12.30 C ATOM 247 CE LYS A 26 -2.273 12.593 -11.861 1.00 15.40 C ATOM 248 NZ LYS A 26 -1.326 11.624 -11.245 1.00 33.30 N ATOM 0 H LYS A 26 -3.969 11.425 -6.751 1.00 64.40 H new ATOM 0 HA LYS A 26 -2.659 13.714 -7.943 1.00 12.50 H new ATOM 0 HB2 LYS A 26 -3.212 11.664 -9.222 1.00 52.10 H new ATOM 0 HB3 LYS A 26 -4.915 11.900 -8.883 1.00 52.10 H new ATOM 0 HG2 LYS A 26 -4.689 12.763 -11.045 1.00 41.30 H new ATOM 0 HG3 LYS A 26 -4.643 14.203 -10.047 1.00 41.30 H new ATOM 0 HD2 LYS A 26 -2.793 14.614 -11.349 1.00 12.30 H new ATOM 0 HD3 LYS A 26 -2.019 13.725 -10.053 1.00 12.30 H new ATOM 0 HE2 LYS A 26 -3.135 12.056 -12.258 1.00 15.40 H new ATOM 0 HE3 LYS A 26 -1.790 13.087 -12.704 1.00 15.40 H new ATOM 0 HZ1 LYS A 26 -0.753 11.178 -11.989 1.00 33.30 H new ATOM 0 HZ2 LYS A 26 -0.702 12.124 -10.580 1.00 33.30 H new ATOM 0 HZ3 LYS A 26 -1.861 10.892 -10.735 1.00 33.30 H new ATOM 262 N ALA A 27 -5.675 13.908 -6.714 1.00 62.40 N ATOM 263 CA ALA A 27 -6.756 14.826 -6.375 1.00 5.22 C ATOM 264 C ALA A 27 -6.218 16.079 -5.693 1.00 21.40 C ATOM 265 O ALA A 27 -6.366 17.189 -6.206 1.00 41.20 O ATOM 266 CB ALA A 27 -7.774 14.133 -5.482 1.00 0.24 C ATOM 0 H ALA A 27 -5.756 12.985 -6.287 1.00 62.40 H new ATOM 0 HA ALA A 27 -7.246 15.130 -7.300 1.00 5.22 H new ATOM 0 HB1 ALA A 27 -8.576 14.829 -5.236 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -8.189 13.271 -6.004 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -7.287 13.801 -4.565 1.00 0.24 H new ATOM 272 N GLY A 28 -5.594 15.895 -4.534 1.00 12.10 N ATOM 273 CA GLY A 28 -5.044 17.022 -3.802 1.00 64.40 C ATOM 274 C GLY A 28 -4.722 16.678 -2.361 1.00 60.40 C ATOM 275 O GLY A 28 -3.814 17.257 -1.767 1.00 74.30 O ATOM 0 H GLY A 28 -5.459 14.987 -4.089 1.00 12.10 H new ATOM 0 HA2 GLY A 28 -4.138 17.368 -4.301 1.00 64.40 H new ATOM 0 HA3 GLY A 28 -5.755 17.848 -3.825 1.00 64.40 H new ATOM 279 N ASN A 29 -5.469 15.734 -1.798 1.00 44.20 N ATOM 280 CA ASN A 29 -5.258 15.316 -0.416 1.00 32.00 C ATOM 281 C ASN A 29 -4.093 14.337 -0.315 1.00 74.50 C ATOM 282 O ASN A 29 -4.270 13.129 -0.461 1.00 73.50 O ATOM 283 CB ASN A 29 -6.528 14.676 0.144 1.00 53.40 C ATOM 284 CG ASN A 29 -7.738 15.582 0.017 1.00 73.20 C ATOM 285 OD1 ASN A 29 -7.844 16.595 0.708 1.00 31.20 O ATOM 286 ND2 ASN A 29 -8.657 15.221 -0.870 1.00 73.50 N ATOM 0 H ASN A 29 -6.225 15.244 -2.276 1.00 44.20 H new ATOM 0 HA ASN A 29 -5.016 16.201 0.172 1.00 32.00 H new ATOM 0 HB2 ASN A 29 -6.722 13.740 -0.381 1.00 53.40 H new ATOM 0 HB3 ASN A 29 -6.373 14.427 1.194 1.00 53.40 H new ATOM 0 HD21 ASN A 29 -9.492 15.792 -1.000 1.00 73.50 H new ATOM 0 HD22 ASN A 29 -8.528 14.373 -1.422 1.00 73.50 H new ATOM 293 N TYR A 30 -2.900 14.868 -0.065 1.00 13.40 N ATOM 294 CA TYR A 30 -1.705 14.042 0.057 1.00 25.30 C ATOM 295 C TYR A 30 -1.750 13.205 1.331 1.00 11.00 C ATOM 296 O TYR A 30 -1.643 11.979 1.285 1.00 3.10 O ATOM 297 CB TYR A 30 -0.451 14.918 0.053 1.00 40.30 C ATOM 298 CG TYR A 30 -0.281 15.725 -1.213 1.00 53.20 C ATOM 299 CD1 TYR A 30 -0.511 15.154 -2.459 1.00 21.40 C ATOM 300 CD2 TYR A 30 0.107 17.057 -1.163 1.00 72.30 C ATOM 301 CE1 TYR A 30 -0.356 15.888 -3.619 1.00 75.20 C ATOM 302 CE2 TYR A 30 0.264 17.798 -2.319 1.00 51.10 C ATOM 303 CZ TYR A 30 0.030 17.209 -3.544 1.00 62.40 C ATOM 304 OH TYR A 30 0.184 17.944 -4.698 1.00 2.14 O ATOM 0 H TYR A 30 -2.736 15.867 0.057 1.00 13.40 H new ATOM 0 HA TYR A 30 -1.671 13.368 -0.799 1.00 25.30 H new ATOM 0 HB2 TYR A 30 -0.490 15.597 0.905 1.00 40.30 H new ATOM 0 HB3 TYR A 30 0.425 14.284 0.190 1.00 40.30 H new ATOM 0 HD1 TYR A 30 -0.816 14.120 -2.521 1.00 21.40 H new ATOM 0 HD2 TYR A 30 0.289 17.522 -0.205 1.00 72.30 H new ATOM 0 HE1 TYR A 30 -0.536 15.429 -4.580 1.00 75.20 H new ATOM 0 HE2 TYR A 30 0.568 18.833 -2.263 1.00 51.10 H new ATOM 0 HH TYR A 30 0.459 18.857 -4.470 1.00 2.14 H new ATOM 314 N GLU A 31 -1.912 13.875 2.467 1.00 20.30 N ATOM 315 CA GLU A 31 -1.974 13.194 3.756 1.00 22.20 C ATOM 316 C GLU A 31 -3.088 12.151 3.765 1.00 1.21 C ATOM 317 O GLU A 31 -2.992 11.131 4.448 1.00 42.10 O ATOM 318 CB GLU A 31 -2.196 14.207 4.879 1.00 42.50 C ATOM 319 CG GLU A 31 -1.448 13.869 6.159 1.00 53.40 C ATOM 320 CD GLU A 31 -2.181 12.850 7.011 1.00 71.30 C ATOM 321 OE1 GLU A 31 -3.407 12.696 6.828 1.00 15.40 O ATOM 322 OE2 GLU A 31 -1.529 12.208 7.861 1.00 33.10 O ATOM 0 H GLU A 31 -2.003 14.889 2.522 1.00 20.30 H new ATOM 0 HA GLU A 31 -1.024 12.685 3.919 1.00 22.20 H new ATOM 0 HB2 GLU A 31 -1.884 15.193 4.535 1.00 42.50 H new ATOM 0 HB3 GLU A 31 -3.262 14.268 5.096 1.00 42.50 H new ATOM 0 HG2 GLU A 31 -0.460 13.483 5.907 1.00 53.40 H new ATOM 0 HG3 GLU A 31 -1.296 14.780 6.738 1.00 53.40 H new ATOM 329 N GLU A 32 -4.143 12.414 2.999 1.00 40.30 N ATOM 330 CA GLU A 32 -5.274 11.499 2.916 1.00 63.10 C ATOM 331 C GLU A 32 -4.900 10.248 2.128 1.00 42.10 C ATOM 332 O GLU A 32 -5.297 9.137 2.480 1.00 43.20 O ATOM 333 CB GLU A 32 -6.467 12.193 2.257 1.00 22.50 C ATOM 334 CG GLU A 32 -7.716 11.329 2.191 1.00 53.30 C ATOM 335 CD GLU A 32 -8.500 11.338 3.489 1.00 2.12 C ATOM 336 OE1 GLU A 32 -8.125 10.588 4.413 1.00 52.20 O ATOM 337 OE2 GLU A 32 -9.489 12.095 3.578 1.00 32.20 O ATOM 0 H GLU A 32 -4.237 13.254 2.427 1.00 40.30 H new ATOM 0 HA GLU A 32 -5.548 11.202 3.928 1.00 63.10 H new ATOM 0 HB2 GLU A 32 -6.696 13.105 2.808 1.00 22.50 H new ATOM 0 HB3 GLU A 32 -6.189 12.492 1.246 1.00 22.50 H new ATOM 0 HG2 GLU A 32 -8.355 11.682 1.382 1.00 53.30 H new ATOM 0 HG3 GLU A 32 -7.432 10.305 1.949 1.00 53.30 H new ATOM 344 N ALA A 33 -4.134 10.437 1.059 1.00 13.30 N ATOM 345 CA ALA A 33 -3.703 9.326 0.220 1.00 51.30 C ATOM 346 C ALA A 33 -2.655 8.476 0.930 1.00 63.40 C ATOM 347 O ALA A 33 -2.603 7.259 0.755 1.00 13.10 O ATOM 348 CB ALA A 33 -3.158 9.844 -1.103 1.00 25.30 C ATOM 0 H ALA A 33 -3.799 11.351 0.753 1.00 13.30 H new ATOM 0 HA ALA A 33 -4.570 8.696 0.021 1.00 51.30 H new ATOM 0 HB1 ALA A 33 -2.840 9.003 -1.720 1.00 25.30 H new ATOM 0 HB2 ALA A 33 -3.936 10.402 -1.624 1.00 25.30 H new ATOM 0 HB3 ALA A 33 -2.307 10.498 -0.915 1.00 25.30 H new ATOM 354 N LEU A 34 -1.820 9.127 1.733 1.00 23.30 N ATOM 355 CA LEU A 34 -0.771 8.433 2.472 1.00 12.50 C ATOM 356 C LEU A 34 -1.369 7.397 3.419 1.00 54.40 C ATOM 357 O LEU A 34 -0.983 6.229 3.401 1.00 13.50 O ATOM 358 CB LEU A 34 0.076 9.434 3.259 1.00 54.30 C ATOM 359 CG LEU A 34 1.211 8.818 4.078 1.00 70.30 C ATOM 360 CD1 LEU A 34 2.476 8.707 3.241 1.00 13.30 C ATOM 361 CD2 LEU A 34 1.470 9.640 5.332 1.00 12.50 C ATOM 0 H LEU A 34 -1.849 10.135 1.889 1.00 23.30 H new ATOM 0 HA LEU A 34 -0.134 7.917 1.753 1.00 12.50 H new ATOM 0 HB2 LEU A 34 0.502 10.155 2.561 1.00 54.30 H new ATOM 0 HB3 LEU A 34 -0.577 9.990 3.932 1.00 54.30 H new ATOM 0 HG LEU A 34 0.911 7.814 4.380 1.00 70.30 H new ATOM 0 HD11 LEU A 34 3.272 8.266 3.841 1.00 13.30 H new ATOM 0 HD12 LEU A 34 2.284 8.076 2.373 1.00 13.30 H new ATOM 0 HD13 LEU A 34 2.780 9.699 2.908 1.00 13.30 H new ATOM 0 HD21 LEU A 34 2.281 9.187 5.903 1.00 12.50 H new ATOM 0 HD22 LEU A 34 1.748 10.656 5.050 1.00 12.50 H new ATOM 0 HD23 LEU A 34 0.567 9.667 5.942 1.00 12.50 H new ATOM 373 N GLN A 35 -2.312 7.834 4.247 1.00 25.30 N ATOM 374 CA GLN A 35 -2.964 6.946 5.202 1.00 31.10 C ATOM 375 C GLN A 35 -3.678 5.806 4.484 1.00 12.20 C ATOM 376 O GLN A 35 -3.676 4.667 4.951 1.00 1.22 O ATOM 377 CB GLN A 35 -3.959 7.728 6.060 1.00 44.40 C ATOM 378 CG GLN A 35 -5.051 8.412 5.255 1.00 74.30 C ATOM 379 CD GLN A 35 -6.124 9.025 6.132 1.00 24.10 C ATOM 380 OE1 GLN A 35 -7.304 8.691 6.016 1.00 12.30 O ATOM 381 NE2 GLN A 35 -5.720 9.929 7.018 1.00 3.05 N ATOM 0 H GLN A 35 -2.642 8.799 4.276 1.00 25.30 H new ATOM 0 HA GLN A 35 -2.196 6.520 5.848 1.00 31.10 H new ATOM 0 HB2 GLN A 35 -4.420 7.049 6.777 1.00 44.40 H new ATOM 0 HB3 GLN A 35 -3.418 8.480 6.635 1.00 44.40 H new ATOM 0 HG2 GLN A 35 -4.606 9.190 4.634 1.00 74.30 H new ATOM 0 HG3 GLN A 35 -5.508 7.688 4.581 1.00 74.30 H new ATOM 0 HE21 GLN A 35 -4.732 10.176 7.080 1.00 3.05 H new ATOM 0 HE22 GLN A 35 -6.398 10.376 7.636 1.00 3.05 H new ATOM 390 N LEU A 36 -4.288 6.120 3.346 1.00 21.20 N ATOM 391 CA LEU A 36 -5.007 5.121 2.562 1.00 63.00 C ATOM 392 C LEU A 36 -4.035 4.175 1.865 1.00 23.40 C ATOM 393 O LEU A 36 -4.341 3.001 1.653 1.00 21.10 O ATOM 394 CB LEU A 36 -5.904 5.804 1.527 1.00 64.30 C ATOM 395 CG LEU A 36 -7.220 6.356 2.076 1.00 21.40 C ATOM 396 CD1 LEU A 36 -7.715 7.508 1.214 1.00 24.50 C ATOM 397 CD2 LEU A 36 -8.267 5.256 2.152 1.00 22.10 C ATOM 0 H LEU A 36 -4.299 7.058 2.946 1.00 21.20 H new ATOM 0 HA LEU A 36 -5.628 4.538 3.242 1.00 63.00 H new ATOM 0 HB2 LEU A 36 -5.347 6.622 1.069 1.00 64.30 H new ATOM 0 HB3 LEU A 36 -6.129 5.089 0.736 1.00 64.30 H new ATOM 0 HG LEU A 36 -7.044 6.733 3.084 1.00 21.40 H new ATOM 0 HD11 LEU A 36 -8.653 7.889 1.619 1.00 24.50 H new ATOM 0 HD12 LEU A 36 -6.971 8.305 1.210 1.00 24.50 H new ATOM 0 HD13 LEU A 36 -7.876 7.157 0.195 1.00 24.50 H new ATOM 0 HD21 LEU A 36 -9.197 5.666 2.545 1.00 22.10 H new ATOM 0 HD22 LEU A 36 -8.441 4.850 1.156 1.00 22.10 H new ATOM 0 HD23 LEU A 36 -7.914 4.462 2.810 1.00 22.10 H new ATOM 409 N TYR A 37 -2.863 4.692 1.511 1.00 52.40 N ATOM 410 CA TYR A 37 -1.847 3.892 0.838 1.00 63.00 C ATOM 411 C TYR A 37 -1.425 2.708 1.701 1.00 44.10 C ATOM 412 O TYR A 37 -1.422 1.564 1.245 1.00 64.00 O ATOM 413 CB TYR A 37 -0.628 4.755 0.505 1.00 51.10 C ATOM 414 CG TYR A 37 -0.707 5.418 -0.851 1.00 65.20 C ATOM 415 CD1 TYR A 37 -1.117 4.707 -1.972 1.00 44.30 C ATOM 416 CD2 TYR A 37 -0.370 6.757 -1.012 1.00 35.30 C ATOM 417 CE1 TYR A 37 -1.190 5.309 -3.213 1.00 72.10 C ATOM 418 CE2 TYR A 37 -0.441 7.367 -2.250 1.00 72.10 C ATOM 419 CZ TYR A 37 -0.850 6.640 -3.346 1.00 45.20 C ATOM 420 OH TYR A 37 -0.921 7.243 -4.581 1.00 63.20 O ATOM 0 H TYR A 37 -2.594 5.661 1.679 1.00 52.40 H new ATOM 0 HA TYR A 37 -2.277 3.508 -0.087 1.00 63.00 H new ATOM 0 HB2 TYR A 37 -0.518 5.524 1.270 1.00 51.10 H new ATOM 0 HB3 TYR A 37 0.267 4.135 0.545 1.00 51.10 H new ATOM 0 HD1 TYR A 37 -1.383 3.665 -1.871 1.00 44.30 H new ATOM 0 HD2 TYR A 37 -0.047 7.330 -0.155 1.00 35.30 H new ATOM 0 HE1 TYR A 37 -1.511 4.742 -4.074 1.00 72.10 H new ATOM 0 HE2 TYR A 37 -0.177 8.409 -2.358 1.00 72.10 H new ATOM 0 HH TYR A 37 -0.990 6.556 -5.277 1.00 63.20 H new ATOM 430 N GLN A 38 -1.071 2.989 2.951 1.00 62.20 N ATOM 431 CA GLN A 38 -0.649 1.947 3.879 1.00 53.50 C ATOM 432 C GLN A 38 -1.771 0.942 4.116 1.00 74.10 C ATOM 433 O GLN A 38 -1.545 -0.269 4.107 1.00 41.30 O ATOM 434 CB GLN A 38 -0.213 2.566 5.209 1.00 12.40 C ATOM 435 CG GLN A 38 0.870 3.622 5.062 1.00 23.30 C ATOM 436 CD GLN A 38 1.026 4.473 6.308 1.00 20.20 C ATOM 437 OE1 GLN A 38 0.631 4.071 7.402 1.00 63.10 O ATOM 438 NE2 GLN A 38 1.605 5.658 6.146 1.00 14.40 N ATOM 0 H GLN A 38 -1.068 3.930 3.344 1.00 62.20 H new ATOM 0 HA GLN A 38 0.197 1.421 3.436 1.00 53.50 H new ATOM 0 HB2 GLN A 38 -1.081 3.013 5.694 1.00 12.40 H new ATOM 0 HB3 GLN A 38 0.149 1.776 5.867 1.00 12.40 H new ATOM 0 HG2 GLN A 38 1.819 3.135 4.837 1.00 23.30 H new ATOM 0 HG3 GLN A 38 0.633 4.265 4.214 1.00 23.30 H new ATOM 0 HE21 GLN A 38 1.917 5.951 5.220 1.00 14.40 H new ATOM 0 HE22 GLN A 38 1.737 6.275 6.947 1.00 14.40 H new ATOM 447 N HIS A 39 -2.980 1.451 4.328 1.00 44.00 N ATOM 448 CA HIS A 39 -4.137 0.597 4.567 1.00 14.30 C ATOM 449 C HIS A 39 -4.388 -0.325 3.379 1.00 55.20 C ATOM 450 O HIS A 39 -4.795 -1.475 3.549 1.00 50.20 O ATOM 451 CB HIS A 39 -5.379 1.450 4.837 1.00 15.30 C ATOM 452 CG HIS A 39 -5.525 1.858 6.270 1.00 15.20 C ATOM 453 ND1 HIS A 39 -6.520 1.373 7.094 1.00 74.10 N ATOM 454 CD2 HIS A 39 -4.794 2.710 7.028 1.00 30.10 C ATOM 455 CE1 HIS A 39 -6.395 1.911 8.294 1.00 4.42 C ATOM 456 NE2 HIS A 39 -5.356 2.724 8.281 1.00 62.00 N ATOM 0 H HIS A 39 -3.184 2.450 4.339 1.00 44.00 H new ATOM 0 HA HIS A 39 -3.929 -0.018 5.443 1.00 14.30 H new ATOM 0 HB2 HIS A 39 -5.337 2.345 4.216 1.00 15.30 H new ATOM 0 HB3 HIS A 39 -6.265 0.892 4.534 1.00 15.30 H new ATOM 0 HD2 HIS A 39 -3.930 3.273 6.707 1.00 30.10 H new ATOM 0 HE1 HIS A 39 -7.035 1.718 9.142 1.00 4.42 H new ATOM 0 HE2 HIS A 39 -5.024 3.274 9.073 1.00 62.00 H new ATOM 465 N ALA A 40 -4.143 0.186 2.178 1.00 11.00 N ATOM 466 CA ALA A 40 -4.343 -0.592 0.961 1.00 74.30 C ATOM 467 C ALA A 40 -3.229 -1.617 0.776 1.00 24.10 C ATOM 468 O ALA A 40 -3.489 -2.793 0.521 1.00 11.30 O ATOM 469 CB ALA A 40 -4.420 0.329 -0.247 1.00 42.20 C ATOM 0 H ALA A 40 -3.806 1.136 2.021 1.00 11.00 H new ATOM 0 HA ALA A 40 -5.286 -1.131 1.054 1.00 74.30 H new ATOM 0 HB1 ALA A 40 -4.569 -0.265 -1.149 1.00 42.20 H new ATOM 0 HB2 ALA A 40 -5.254 1.020 -0.125 1.00 42.20 H new ATOM 0 HB3 ALA A 40 -3.491 0.893 -0.334 1.00 42.20 H new ATOM 475 N VAL A 41 -1.986 -1.162 0.906 1.00 23.40 N ATOM 476 CA VAL A 41 -0.832 -2.041 0.753 1.00 33.30 C ATOM 477 C VAL A 41 -0.827 -3.129 1.821 1.00 23.20 C ATOM 478 O VAL A 41 -0.426 -4.264 1.562 1.00 30.30 O ATOM 479 CB VAL A 41 0.489 -1.251 0.832 1.00 15.40 C ATOM 480 CG1 VAL A 41 1.672 -2.154 0.519 1.00 24.30 C ATOM 481 CG2 VAL A 41 0.457 -0.056 -0.110 1.00 53.30 C ATOM 0 H VAL A 41 -1.753 -0.192 1.117 1.00 23.40 H new ATOM 0 HA VAL A 41 -0.912 -2.502 -0.231 1.00 33.30 H new ATOM 0 HB VAL A 41 0.605 -0.878 1.850 1.00 15.40 H new ATOM 0 HG11 VAL A 41 2.595 -1.578 0.580 1.00 24.30 H new ATOM 0 HG12 VAL A 41 1.706 -2.972 1.239 1.00 24.30 H new ATOM 0 HG13 VAL A 41 1.563 -2.560 -0.487 1.00 24.30 H new ATOM 0 HG21 VAL A 41 1.399 0.488 -0.039 1.00 53.30 H new ATOM 0 HG22 VAL A 41 0.315 -0.403 -1.133 1.00 53.30 H new ATOM 0 HG23 VAL A 41 -0.365 0.604 0.167 1.00 53.30 H new ATOM 491 N GLN A 42 -1.272 -2.775 3.023 1.00 40.30 N ATOM 492 CA GLN A 42 -1.318 -3.722 4.129 1.00 2.12 C ATOM 493 C GLN A 42 -2.390 -4.783 3.895 1.00 21.30 C ATOM 494 O GLN A 42 -2.193 -5.957 4.207 1.00 51.20 O ATOM 495 CB GLN A 42 -1.588 -2.990 5.445 1.00 64.10 C ATOM 496 CG GLN A 42 -0.356 -2.325 6.035 1.00 14.30 C ATOM 497 CD GLN A 42 -0.299 -2.440 7.546 1.00 33.40 C ATOM 498 OE1 GLN A 42 -1.278 -2.817 8.189 1.00 54.00 O ATOM 499 NE2 GLN A 42 0.853 -2.115 8.121 1.00 62.00 N ATOM 0 H GLN A 42 -1.605 -1.839 3.255 1.00 40.30 H new ATOM 0 HA GLN A 42 -0.349 -4.218 4.189 1.00 2.12 H new ATOM 0 HB2 GLN A 42 -2.355 -2.233 5.279 1.00 64.10 H new ATOM 0 HB3 GLN A 42 -1.990 -3.698 6.169 1.00 64.10 H new ATOM 0 HG2 GLN A 42 0.538 -2.778 5.606 1.00 14.30 H new ATOM 0 HG3 GLN A 42 -0.346 -1.272 5.754 1.00 14.30 H new ATOM 0 HE21 GLN A 42 1.640 -1.807 7.549 1.00 62.00 H new ATOM 0 HE22 GLN A 42 0.951 -2.173 9.135 1.00 62.00 H new ATOM 508 N TYR A 43 -3.523 -4.360 3.344 1.00 61.10 N ATOM 509 CA TYR A 43 -4.625 -5.273 3.069 1.00 51.40 C ATOM 510 C TYR A 43 -4.303 -6.173 1.881 1.00 2.22 C ATOM 511 O TYR A 43 -4.712 -7.333 1.839 1.00 2.50 O ATOM 512 CB TYR A 43 -5.910 -4.488 2.795 1.00 71.20 C ATOM 513 CG TYR A 43 -6.683 -4.136 4.046 1.00 44.30 C ATOM 514 CD1 TYR A 43 -6.061 -3.503 5.114 1.00 20.30 C ATOM 515 CD2 TYR A 43 -8.035 -4.436 4.158 1.00 51.20 C ATOM 516 CE1 TYR A 43 -6.765 -3.181 6.260 1.00 74.10 C ATOM 517 CE2 TYR A 43 -8.745 -4.116 5.299 1.00 71.00 C ATOM 518 CZ TYR A 43 -8.106 -3.489 6.346 1.00 32.50 C ATOM 519 OH TYR A 43 -8.810 -3.168 7.485 1.00 42.20 O ATOM 0 H TYR A 43 -3.701 -3.391 3.079 1.00 61.10 H new ATOM 0 HA TYR A 43 -4.771 -5.901 3.948 1.00 51.40 H new ATOM 0 HB2 TYR A 43 -5.659 -3.570 2.263 1.00 71.20 H new ATOM 0 HB3 TYR A 43 -6.550 -5.074 2.135 1.00 71.20 H new ATOM 0 HD1 TYR A 43 -5.011 -3.258 5.049 1.00 20.30 H new ATOM 0 HD2 TYR A 43 -8.539 -4.928 3.339 1.00 51.20 H new ATOM 0 HE1 TYR A 43 -6.267 -2.691 7.083 1.00 74.10 H new ATOM 0 HE2 TYR A 43 -9.796 -4.356 5.370 1.00 71.00 H new ATOM 0 HH TYR A 43 -9.743 -3.452 7.384 1.00 42.20 H new ATOM 529 N PHE A 44 -3.566 -5.630 0.919 1.00 5.51 N ATOM 530 CA PHE A 44 -3.186 -6.382 -0.271 1.00 73.10 C ATOM 531 C PHE A 44 -2.392 -7.629 0.103 1.00 42.50 C ATOM 532 O PHE A 44 -2.732 -8.740 -0.307 1.00 43.40 O ATOM 533 CB PHE A 44 -2.362 -5.498 -1.210 1.00 1.22 C ATOM 534 CG PHE A 44 -3.149 -4.958 -2.370 1.00 22.30 C ATOM 535 CD1 PHE A 44 -3.879 -5.809 -3.185 1.00 0.35 C ATOM 536 CD2 PHE A 44 -3.158 -3.600 -2.645 1.00 32.20 C ATOM 537 CE1 PHE A 44 -4.603 -5.314 -4.253 1.00 15.10 C ATOM 538 CE2 PHE A 44 -3.881 -3.100 -3.711 1.00 54.10 C ATOM 539 CZ PHE A 44 -4.605 -3.958 -4.516 1.00 42.30 C ATOM 0 H PHE A 44 -3.219 -4.671 0.940 1.00 5.51 H new ATOM 0 HA PHE A 44 -4.096 -6.696 -0.782 1.00 73.10 H new ATOM 0 HB2 PHE A 44 -1.949 -4.664 -0.642 1.00 1.22 H new ATOM 0 HB3 PHE A 44 -1.518 -6.074 -1.590 1.00 1.22 H new ATOM 0 HD1 PHE A 44 -3.882 -6.870 -2.983 1.00 0.35 H new ATOM 0 HD2 PHE A 44 -2.594 -2.925 -2.019 1.00 32.20 H new ATOM 0 HE1 PHE A 44 -5.167 -5.987 -4.882 1.00 15.10 H new ATOM 0 HE2 PHE A 44 -3.880 -2.039 -3.915 1.00 54.10 H new ATOM 0 HZ PHE A 44 -5.171 -3.569 -5.349 1.00 42.30 H new ATOM 549 N LEU A 45 -1.335 -7.439 0.885 1.00 22.10 N ATOM 550 CA LEU A 45 -0.493 -8.549 1.315 1.00 55.20 C ATOM 551 C LEU A 45 -1.237 -9.439 2.301 1.00 61.20 C ATOM 552 O LEU A 45 -0.989 -10.643 2.369 1.00 2.13 O ATOM 553 CB LEU A 45 0.794 -8.024 1.954 1.00 43.20 C ATOM 554 CG LEU A 45 1.888 -7.618 0.964 1.00 24.20 C ATOM 555 CD1 LEU A 45 2.960 -6.794 1.662 1.00 44.50 C ATOM 556 CD2 LEU A 45 2.498 -8.847 0.313 1.00 53.50 C ATOM 0 H LEU A 45 -1.041 -6.527 1.234 1.00 22.10 H new ATOM 0 HA LEU A 45 -0.237 -9.142 0.437 1.00 55.20 H new ATOM 0 HB2 LEU A 45 0.548 -7.162 2.575 1.00 43.20 H new ATOM 0 HB3 LEU A 45 1.192 -8.792 2.618 1.00 43.20 H new ATOM 0 HG LEU A 45 1.437 -7.004 0.184 1.00 24.20 H new ATOM 0 HD11 LEU A 45 3.730 -6.514 0.943 1.00 44.50 H new ATOM 0 HD12 LEU A 45 2.511 -5.894 2.082 1.00 44.50 H new ATOM 0 HD13 LEU A 45 3.408 -7.383 2.462 1.00 44.50 H new ATOM 0 HD21 LEU A 45 3.274 -8.540 -0.388 1.00 53.50 H new ATOM 0 HD22 LEU A 45 2.934 -9.486 1.080 1.00 53.50 H new ATOM 0 HD23 LEU A 45 1.724 -9.398 -0.221 1.00 53.50 H new ATOM 568 N HIS A 46 -2.145 -8.851 3.066 1.00 75.30 N ATOM 569 CA HIS A 46 -2.923 -9.596 4.050 1.00 33.00 C ATOM 570 C HIS A 46 -3.712 -10.717 3.384 1.00 21.50 C ATOM 571 O HIS A 46 -3.695 -11.854 3.844 1.00 43.20 O ATOM 572 CB HIS A 46 -3.877 -8.658 4.792 1.00 52.40 C ATOM 573 CG HIS A 46 -4.632 -9.327 5.899 1.00 1.54 C ATOM 574 ND1 HIS A 46 -4.280 -9.210 7.227 1.00 41.20 N ATOM 575 CD2 HIS A 46 -5.726 -10.124 5.871 1.00 41.50 C ATOM 576 CE1 HIS A 46 -5.124 -9.906 7.968 1.00 35.40 C ATOM 577 NE2 HIS A 46 -6.012 -10.469 7.169 1.00 62.20 N ATOM 0 H HIS A 46 -2.363 -7.855 3.025 1.00 75.30 H new ATOM 0 HA HIS A 46 -2.229 -10.039 4.765 1.00 33.00 H new ATOM 0 HB2 HIS A 46 -3.308 -7.825 5.203 1.00 52.40 H new ATOM 0 HB3 HIS A 46 -4.588 -8.238 4.080 1.00 52.40 H new ATOM 0 HD2 HIS A 46 -6.272 -10.431 4.991 1.00 41.50 H new ATOM 0 HE1 HIS A 46 -5.093 -9.999 9.044 1.00 35.40 H new ATOM 0 HE2 HIS A 46 -6.785 -11.064 7.468 1.00 62.20 H new ATOM 586 N VAL A 47 -4.402 -10.388 2.298 1.00 52.20 N ATOM 587 CA VAL A 47 -5.198 -11.364 1.568 1.00 51.50 C ATOM 588 C VAL A 47 -4.304 -12.389 0.876 1.00 31.30 C ATOM 589 O VAL A 47 -4.655 -13.562 0.775 1.00 71.00 O ATOM 590 CB VAL A 47 -6.096 -10.696 0.517 1.00 62.40 C ATOM 591 CG1 VAL A 47 -7.243 -9.958 1.188 1.00 31.50 C ATOM 592 CG2 VAL A 47 -5.283 -9.751 -0.356 1.00 61.40 C ATOM 0 H VAL A 47 -4.425 -9.448 1.903 1.00 52.20 H new ATOM 0 HA VAL A 47 -5.830 -11.864 2.302 1.00 51.50 H new ATOM 0 HB VAL A 47 -6.517 -11.472 -0.122 1.00 62.40 H new ATOM 0 HG11 VAL A 47 -7.869 -9.491 0.428 1.00 31.50 H new ATOM 0 HG12 VAL A 47 -7.840 -10.663 1.767 1.00 31.50 H new ATOM 0 HG13 VAL A 47 -6.844 -9.191 1.851 1.00 31.50 H new ATOM 0 HG21 VAL A 47 -5.936 -9.286 -1.095 1.00 61.40 H new ATOM 0 HG22 VAL A 47 -4.832 -8.978 0.266 1.00 61.40 H new ATOM 0 HG23 VAL A 47 -4.498 -10.311 -0.865 1.00 61.40 H new ATOM 602 N VAL A 48 -3.151 -11.930 0.400 1.00 61.20 N ATOM 603 CA VAL A 48 -2.205 -12.811 -0.282 1.00 23.30 C ATOM 604 C VAL A 48 -1.664 -13.875 0.664 1.00 3.20 C ATOM 605 O VAL A 48 -1.430 -15.018 0.262 1.00 33.30 O ATOM 606 CB VAL A 48 -1.026 -12.012 -0.873 1.00 41.30 C ATOM 607 CG1 VAL A 48 -0.132 -12.919 -1.708 1.00 13.30 C ATOM 608 CG2 VAL A 48 -1.530 -10.841 -1.700 1.00 41.10 C ATOM 0 H VAL A 48 -2.849 -10.959 0.472 1.00 61.20 H new ATOM 0 HA VAL A 48 -2.749 -13.297 -1.092 1.00 23.30 H new ATOM 0 HB VAL A 48 -0.434 -11.613 -0.049 1.00 41.30 H new ATOM 0 HG11 VAL A 48 0.695 -12.338 -2.117 1.00 13.30 H new ATOM 0 HG12 VAL A 48 0.262 -13.719 -1.081 1.00 13.30 H new ATOM 0 HG13 VAL A 48 -0.712 -13.350 -2.524 1.00 13.30 H new ATOM 0 HG21 VAL A 48 -0.681 -10.291 -2.107 1.00 41.10 H new ATOM 0 HG22 VAL A 48 -2.148 -11.212 -2.518 1.00 41.10 H new ATOM 0 HG23 VAL A 48 -2.123 -10.178 -1.069 1.00 41.10 H new ATOM 618 N LYS A 49 -1.468 -13.496 1.922 1.00 14.10 N ATOM 619 CA LYS A 49 -0.955 -14.418 2.927 1.00 61.00 C ATOM 620 C LYS A 49 -1.996 -15.477 3.276 1.00 32.40 C ATOM 621 O LYS A 49 -1.661 -16.638 3.510 1.00 11.30 O ATOM 622 CB LYS A 49 -0.538 -13.664 4.187 1.00 63.20 C ATOM 623 CG LYS A 49 0.913 -13.213 4.177 1.00 41.40 C ATOM 624 CD LYS A 49 1.117 -11.970 5.038 1.00 15.20 C ATOM 625 CE LYS A 49 1.169 -10.712 4.195 1.00 51.20 C ATOM 626 NZ LYS A 49 2.196 -9.751 4.689 1.00 24.30 N ATOM 0 H LYS A 49 -1.657 -12.556 2.270 1.00 14.10 H new ATOM 0 HA LYS A 49 -0.080 -14.915 2.508 1.00 61.00 H new ATOM 0 HB2 LYS A 49 -1.180 -12.791 4.306 1.00 63.20 H new ATOM 0 HB3 LYS A 49 -0.705 -14.303 5.054 1.00 63.20 H new ATOM 0 HG2 LYS A 49 1.548 -14.019 4.543 1.00 41.40 H new ATOM 0 HG3 LYS A 49 1.223 -13.003 3.153 1.00 41.40 H new ATOM 0 HD2 LYS A 49 0.306 -11.891 5.762 1.00 15.20 H new ATOM 0 HD3 LYS A 49 2.043 -12.067 5.606 1.00 15.20 H new ATOM 0 HE2 LYS A 49 1.389 -10.977 3.161 1.00 51.20 H new ATOM 0 HE3 LYS A 49 0.191 -10.231 4.200 1.00 51.20 H new ATOM 0 HZ1 LYS A 49 1.805 -8.787 4.674 1.00 24.30 H new ATOM 0 HZ2 LYS A 49 2.466 -10.001 5.662 1.00 24.30 H new ATOM 0 HZ3 LYS A 49 3.035 -9.794 4.076 1.00 24.30 H new ATOM 640 N TYR A 50 -3.258 -15.072 3.309 1.00 42.40 N ATOM 641 CA TYR A 50 -4.352 -15.980 3.630 1.00 2.34 C ATOM 642 C TYR A 50 -5.213 -16.254 2.402 1.00 33.20 C ATOM 643 O TYR A 50 -6.415 -16.502 2.519 1.00 4.42 O ATOM 644 CB TYR A 50 -5.207 -15.412 4.758 1.00 72.20 C ATOM 645 CG TYR A 50 -4.440 -15.158 6.036 1.00 12.10 C ATOM 646 CD1 TYR A 50 -3.460 -14.172 6.096 1.00 45.40 C ATOM 647 CD2 TYR A 50 -4.698 -15.900 7.182 1.00 51.40 C ATOM 648 CE1 TYR A 50 -2.756 -13.938 7.261 1.00 23.40 C ATOM 649 CE2 TYR A 50 -4.001 -15.668 8.353 1.00 54.30 C ATOM 650 CZ TYR A 50 -3.030 -14.688 8.386 1.00 12.20 C ATOM 651 OH TYR A 50 -2.332 -14.457 9.550 1.00 2.31 O ATOM 0 H TYR A 50 -3.551 -14.114 3.116 1.00 42.40 H new ATOM 0 HA TYR A 50 -3.918 -16.924 3.961 1.00 2.34 H new ATOM 0 HB2 TYR A 50 -5.658 -14.478 4.424 1.00 72.20 H new ATOM 0 HB3 TYR A 50 -6.023 -16.104 4.966 1.00 72.20 H new ATOM 0 HD1 TYR A 50 -3.247 -13.580 5.218 1.00 45.40 H new ATOM 0 HD2 TYR A 50 -5.455 -16.670 7.158 1.00 51.40 H new ATOM 0 HE1 TYR A 50 -1.995 -13.172 7.291 1.00 23.40 H new ATOM 0 HE2 TYR A 50 -4.215 -16.250 9.237 1.00 54.30 H new ATOM 0 HH TYR A 50 -2.647 -15.069 10.247 1.00 2.31 H new ATOM 661 N GLU A 51 -4.599 -16.197 1.226 1.00 75.20 N ATOM 662 CA GLU A 51 -5.312 -16.437 -0.023 1.00 34.00 C ATOM 663 C GLU A 51 -4.360 -16.380 -1.213 1.00 71.20 C ATOM 664 O GLU A 51 -4.300 -15.368 -1.921 1.00 34.20 O ATOM 665 CB GLU A 51 -6.430 -15.411 -0.196 1.00 15.40 C ATOM 666 CG GLU A 51 -7.609 -15.930 -1.004 1.00 54.50 C ATOM 667 CD GLU A 51 -8.526 -16.814 -0.187 1.00 65.10 C ATOM 668 OE1 GLU A 51 -9.110 -16.323 0.800 1.00 51.00 O ATOM 669 OE2 GLU A 51 -8.672 -18.008 -0.541 1.00 13.40 O ATOM 0 H GLU A 51 -3.608 -15.986 1.111 1.00 75.20 H new ATOM 0 HA GLU A 51 -5.748 -17.435 0.019 1.00 34.00 H new ATOM 0 HB2 GLU A 51 -6.782 -15.100 0.787 1.00 15.40 H new ATOM 0 HB3 GLU A 51 -6.026 -14.524 -0.685 1.00 15.40 H new ATOM 0 HG2 GLU A 51 -8.177 -15.086 -1.395 1.00 54.50 H new ATOM 0 HG3 GLU A 51 -7.239 -16.491 -1.862 1.00 54.50 H new ATOM 676 N ALA A 52 -3.622 -17.456 -1.430 1.00 14.00 N ATOM 677 CA ALA A 52 -2.671 -17.529 -2.534 1.00 1.33 C ATOM 678 C ALA A 52 -2.953 -18.731 -3.424 1.00 54.10 C ATOM 679 O ALA A 52 -3.239 -19.828 -2.937 1.00 32.20 O ATOM 680 CB ALA A 52 -1.248 -17.586 -2.003 1.00 2.12 C ATOM 0 H ALA A 52 -3.662 -18.297 -0.854 1.00 14.00 H new ATOM 0 HA ALA A 52 -2.786 -16.629 -3.138 1.00 1.33 H new ATOM 0 HB1 ALA A 52 -0.550 -17.640 -2.838 1.00 2.12 H new ATOM 0 HB2 ALA A 52 -1.043 -16.691 -1.416 1.00 2.12 H new ATOM 0 HB3 ALA A 52 -1.130 -18.468 -1.373 1.00 2.12 H new ATOM 686 N GLN A 53 -2.872 -18.523 -4.735 1.00 52.30 N ATOM 687 CA GLN A 53 -3.122 -19.590 -5.696 1.00 62.40 C ATOM 688 C GLN A 53 -2.715 -19.160 -7.099 1.00 5.34 C ATOM 689 O GLN A 53 -3.568 -18.784 -7.913 1.00 21.50 O ATOM 690 CB GLN A 53 -4.595 -19.996 -5.674 1.00 62.50 C ATOM 691 CG GLN A 53 -5.546 -18.829 -5.898 1.00 14.10 C ATOM 692 CD GLN A 53 -6.714 -19.192 -6.798 1.00 41.00 C ATOM 693 OE1 GLN A 53 -7.470 -20.112 -6.502 1.00 1.31 O ATOM 694 NE2 GLN A 53 -6.856 -18.466 -7.900 1.00 41.30 N ATOM 0 H GLN A 53 -2.635 -17.624 -5.155 1.00 52.30 H new ATOM 0 HA GLN A 53 -2.518 -20.451 -5.411 1.00 62.40 H new ATOM 0 HB2 GLN A 53 -4.768 -20.749 -6.443 1.00 62.50 H new ATOM 0 HB3 GLN A 53 -4.822 -20.461 -4.715 1.00 62.50 H new ATOM 0 HG2 GLN A 53 -5.926 -18.485 -4.936 1.00 14.10 H new ATOM 0 HG3 GLN A 53 -4.997 -17.997 -6.339 1.00 14.10 H new ATOM 0 HE21 GLN A 53 -6.200 -17.711 -8.101 1.00 41.30 H new ATOM 0 HE22 GLN A 53 -7.621 -18.663 -8.545 1.00 41.30 H new ATOM 703 N GLY A 54 -1.423 -19.227 -7.390 1.00 54.50 N ATOM 704 CA GLY A 54 -0.933 -18.833 -8.697 1.00 31.40 C ATOM 705 C GLY A 54 0.409 -18.133 -8.631 1.00 2.20 C ATOM 706 O GLY A 54 1.256 -18.479 -7.819 1.00 65.10 O ATOM 0 H GLY A 54 -0.703 -19.548 -6.743 1.00 54.50 H new ATOM 0 HA2 GLY A 54 -0.847 -19.716 -9.330 1.00 31.40 H new ATOM 0 HA3 GLY A 54 -1.660 -18.172 -9.169 1.00 31.40 H new ATOM 710 N ASP A 55 0.587 -17.136 -9.493 1.00 60.20 N ATOM 711 CA ASP A 55 1.831 -16.374 -9.528 1.00 12.40 C ATOM 712 C ASP A 55 1.575 -14.928 -9.940 1.00 23.40 C ATOM 713 O ASP A 55 2.071 -13.997 -9.307 1.00 24.30 O ATOM 714 CB ASP A 55 2.819 -17.021 -10.497 1.00 23.10 C ATOM 715 CG ASP A 55 3.501 -18.237 -9.898 1.00 23.40 C ATOM 716 OD1 ASP A 55 3.615 -18.303 -8.656 1.00 75.50 O ATOM 717 OD2 ASP A 55 3.923 -19.127 -10.671 1.00 41.20 O ATOM 0 H ASP A 55 -0.111 -16.838 -10.174 1.00 60.20 H new ATOM 0 HA ASP A 55 2.257 -16.377 -8.525 1.00 12.40 H new ATOM 0 HB2 ASP A 55 2.294 -17.313 -11.407 1.00 23.10 H new ATOM 0 HB3 ASP A 55 3.574 -16.289 -10.785 1.00 23.10 H new ATOM 722 N LYS A 56 0.800 -14.753 -11.004 1.00 45.10 N ATOM 723 CA LYS A 56 0.476 -13.416 -11.499 1.00 22.20 C ATOM 724 C LYS A 56 -0.254 -12.605 -10.437 1.00 33.00 C ATOM 725 O LYS A 56 -0.089 -11.386 -10.347 1.00 53.40 O ATOM 726 CB LYS A 56 -0.375 -13.510 -12.761 1.00 54.30 C ATOM 727 CG LYS A 56 -0.228 -12.309 -13.684 1.00 15.10 C ATOM 728 CD LYS A 56 -1.531 -12.004 -14.404 1.00 33.00 C ATOM 729 CE LYS A 56 -1.622 -12.743 -15.731 1.00 51.30 C ATOM 730 NZ LYS A 56 -2.955 -12.549 -16.382 1.00 43.20 N ATOM 0 H LYS A 56 0.385 -15.515 -11.540 1.00 45.10 H new ATOM 0 HA LYS A 56 1.410 -12.908 -11.738 1.00 22.20 H new ATOM 0 HB2 LYS A 56 -0.102 -14.413 -13.307 1.00 54.30 H new ATOM 0 HB3 LYS A 56 -1.422 -13.613 -12.477 1.00 54.30 H new ATOM 0 HG2 LYS A 56 0.083 -11.439 -13.106 1.00 15.10 H new ATOM 0 HG3 LYS A 56 0.557 -12.503 -14.415 1.00 15.10 H new ATOM 0 HD2 LYS A 56 -2.372 -12.286 -13.771 1.00 33.00 H new ATOM 0 HD3 LYS A 56 -1.609 -10.931 -14.578 1.00 33.00 H new ATOM 0 HE2 LYS A 56 -0.836 -12.390 -16.399 1.00 51.30 H new ATOM 0 HE3 LYS A 56 -1.448 -13.807 -15.568 1.00 51.30 H new ATOM 0 HZ1 LYS A 56 -2.980 -13.067 -17.283 1.00 43.20 H new ATOM 0 HZ2 LYS A 56 -3.703 -12.909 -15.755 1.00 43.20 H new ATOM 0 HZ3 LYS A 56 -3.110 -11.536 -16.560 1.00 43.20 H new ATOM 744 N ALA A 57 -1.062 -13.286 -9.631 1.00 74.30 N ATOM 745 CA ALA A 57 -1.825 -12.622 -8.576 1.00 42.30 C ATOM 746 C ALA A 57 -0.894 -11.936 -7.582 1.00 30.40 C ATOM 747 O ALA A 57 -1.066 -10.756 -7.270 1.00 45.30 O ATOM 748 CB ALA A 57 -2.709 -13.624 -7.857 1.00 53.30 C ATOM 0 H ALA A 57 -1.206 -14.294 -9.686 1.00 74.30 H new ATOM 0 HA ALA A 57 -2.454 -11.861 -9.038 1.00 42.30 H new ATOM 0 HB1 ALA A 57 -3.272 -13.116 -7.074 1.00 53.30 H new ATOM 0 HB2 ALA A 57 -3.402 -14.074 -8.568 1.00 53.30 H new ATOM 0 HB3 ALA A 57 -2.089 -14.402 -7.412 1.00 53.30 H new ATOM 754 N LYS A 58 0.088 -12.677 -7.088 1.00 74.20 N ATOM 755 CA LYS A 58 1.047 -12.145 -6.128 1.00 33.00 C ATOM 756 C LYS A 58 1.975 -11.132 -6.794 1.00 13.10 C ATOM 757 O LYS A 58 2.420 -10.170 -6.164 1.00 21.30 O ATOM 758 CB LYS A 58 1.867 -13.275 -5.503 1.00 74.10 C ATOM 759 CG LYS A 58 1.021 -14.429 -4.991 1.00 44.10 C ATOM 760 CD LYS A 58 1.726 -15.760 -5.173 1.00 2.42 C ATOM 761 CE LYS A 58 1.475 -16.685 -3.995 1.00 72.10 C ATOM 762 NZ LYS A 58 2.638 -17.580 -3.737 1.00 61.40 N ATOM 0 H LYS A 58 0.242 -13.654 -7.338 1.00 74.20 H new ATOM 0 HA LYS A 58 0.489 -11.639 -5.340 1.00 33.00 H new ATOM 0 HB2 LYS A 58 2.572 -13.653 -6.243 1.00 74.10 H new ATOM 0 HB3 LYS A 58 2.455 -12.873 -4.678 1.00 74.10 H new ATOM 0 HG2 LYS A 58 0.797 -14.276 -3.935 1.00 44.10 H new ATOM 0 HG3 LYS A 58 0.068 -14.446 -5.520 1.00 44.10 H new ATOM 0 HD2 LYS A 58 1.379 -16.235 -6.091 1.00 2.42 H new ATOM 0 HD3 LYS A 58 2.797 -15.594 -5.285 1.00 2.42 H new ATOM 0 HE2 LYS A 58 1.268 -16.092 -3.104 1.00 72.10 H new ATOM 0 HE3 LYS A 58 0.588 -17.288 -4.189 1.00 72.10 H new ATOM 0 HZ1 LYS A 58 2.429 -18.196 -2.926 1.00 61.40 H new ATOM 0 HZ2 LYS A 58 2.820 -18.164 -4.578 1.00 61.40 H new ATOM 0 HZ3 LYS A 58 3.479 -17.005 -3.527 1.00 61.40 H new ATOM 776 N GLN A 59 2.265 -11.356 -8.072 1.00 21.30 N ATOM 777 CA GLN A 59 3.142 -10.468 -8.824 1.00 73.20 C ATOM 778 C GLN A 59 2.489 -9.098 -9.022 1.00 55.40 C ATOM 779 O GLN A 59 3.172 -8.075 -9.076 1.00 65.40 O ATOM 780 CB GLN A 59 3.487 -11.086 -10.181 1.00 75.40 C ATOM 781 CG GLN A 59 4.481 -10.266 -10.987 1.00 44.40 C ATOM 782 CD GLN A 59 3.802 -9.309 -11.949 1.00 2.13 C ATOM 783 OE1 GLN A 59 2.574 -9.242 -12.019 1.00 52.40 O ATOM 784 NE2 GLN A 59 4.595 -8.557 -12.697 1.00 42.20 N ATOM 0 H GLN A 59 1.905 -12.146 -8.608 1.00 21.30 H new ATOM 0 HA GLN A 59 4.060 -10.333 -8.252 1.00 73.20 H new ATOM 0 HB2 GLN A 59 3.895 -12.084 -10.023 1.00 75.40 H new ATOM 0 HB3 GLN A 59 2.571 -11.204 -10.761 1.00 75.40 H new ATOM 0 HG2 GLN A 59 5.117 -9.701 -10.306 1.00 44.40 H new ATOM 0 HG3 GLN A 59 5.132 -10.938 -11.547 1.00 44.40 H new ATOM 0 HE21 GLN A 59 5.608 -8.641 -12.611 1.00 42.20 H new ATOM 0 HE22 GLN A 59 4.193 -7.894 -13.359 1.00 42.20 H new ATOM 793 N SER A 60 1.163 -9.088 -9.132 1.00 14.30 N ATOM 794 CA SER A 60 0.423 -7.858 -9.324 1.00 5.45 C ATOM 795 C SER A 60 0.345 -7.062 -8.025 1.00 31.40 C ATOM 796 O SER A 60 0.728 -5.893 -7.977 1.00 53.30 O ATOM 797 CB SER A 60 -0.986 -8.158 -9.837 1.00 5.34 C ATOM 798 OG SER A 60 -1.750 -8.841 -8.859 1.00 10.10 O ATOM 0 H SER A 60 0.583 -9.926 -9.090 1.00 14.30 H new ATOM 0 HA SER A 60 0.951 -7.259 -10.066 1.00 5.45 H new ATOM 0 HB2 SER A 60 -1.484 -7.227 -10.107 1.00 5.34 H new ATOM 0 HB3 SER A 60 -0.926 -8.761 -10.743 1.00 5.34 H new ATOM 0 HG SER A 60 -1.344 -9.714 -8.678 1.00 10.10 H new ATOM 804 N ILE A 61 -0.154 -7.702 -6.973 1.00 41.50 N ATOM 805 CA ILE A 61 -0.283 -7.054 -5.674 1.00 32.10 C ATOM 806 C ILE A 61 1.070 -6.580 -5.159 1.00 4.03 C ATOM 807 O ILE A 61 1.183 -5.497 -4.585 1.00 23.50 O ATOM 808 CB ILE A 61 -0.913 -8.000 -4.633 1.00 33.40 C ATOM 809 CG1 ILE A 61 -0.116 -9.301 -4.546 1.00 0.24 C ATOM 810 CG2 ILE A 61 -2.365 -8.283 -4.985 1.00 54.20 C ATOM 811 CD1 ILE A 61 0.903 -9.309 -3.429 1.00 22.40 C ATOM 0 H ILE A 61 -0.476 -8.670 -6.995 1.00 41.50 H new ATOM 0 HA ILE A 61 -0.937 -6.193 -5.815 1.00 32.10 H new ATOM 0 HB ILE A 61 -0.885 -7.514 -3.658 1.00 33.40 H new ATOM 0 HG12 ILE A 61 -0.807 -10.132 -4.403 1.00 0.24 H new ATOM 0 HG13 ILE A 61 0.394 -9.470 -5.494 1.00 0.24 H new ATOM 0 HG21 ILE A 61 -2.796 -8.952 -4.241 1.00 54.20 H new ATOM 0 HG22 ILE A 61 -2.925 -7.348 -4.999 1.00 54.20 H new ATOM 0 HG23 ILE A 61 -2.416 -8.752 -5.968 1.00 54.20 H new ATOM 0 HD11 ILE A 61 1.432 -10.262 -3.426 1.00 22.40 H new ATOM 0 HD12 ILE A 61 1.616 -8.499 -3.581 1.00 22.40 H new ATOM 0 HD13 ILE A 61 0.397 -9.172 -2.474 1.00 22.40 H new ATOM 823 N ARG A 62 2.098 -7.397 -5.367 1.00 71.10 N ATOM 824 CA ARG A 62 3.445 -7.060 -4.923 1.00 62.10 C ATOM 825 C ARG A 62 3.934 -5.781 -5.596 1.00 62.40 C ATOM 826 O ARG A 62 4.346 -4.834 -4.926 1.00 41.50 O ATOM 827 CB ARG A 62 4.405 -8.204 -5.226 1.00 41.40 C ATOM 828 CG ARG A 62 4.452 -9.259 -4.134 1.00 12.10 C ATOM 829 CD ARG A 62 5.878 -9.726 -3.863 1.00 41.20 C ATOM 830 NE ARG A 62 6.302 -10.761 -4.798 1.00 75.00 N ATOM 831 CZ ARG A 62 7.574 -11.066 -5.036 1.00 12.10 C ATOM 832 NH1 ARG A 62 8.551 -10.423 -4.408 1.00 4.12 N ATOM 833 NH2 ARG A 62 7.874 -12.024 -5.903 1.00 12.50 N ATOM 0 H ARG A 62 2.023 -8.297 -5.840 1.00 71.10 H new ATOM 0 HA ARG A 62 3.415 -6.896 -3.846 1.00 62.10 H new ATOM 0 HB2 ARG A 62 4.112 -8.676 -6.164 1.00 41.40 H new ATOM 0 HB3 ARG A 62 5.406 -7.799 -5.373 1.00 41.40 H new ATOM 0 HG2 ARG A 62 4.021 -8.854 -3.218 1.00 12.10 H new ATOM 0 HG3 ARG A 62 3.839 -10.112 -4.425 1.00 12.10 H new ATOM 0 HD2 ARG A 62 6.557 -8.876 -3.931 1.00 41.20 H new ATOM 0 HD3 ARG A 62 5.947 -10.108 -2.844 1.00 41.20 H new ATOM 0 HE ARG A 62 5.581 -11.281 -5.298 1.00 75.00 H new ATOM 0 HH11 ARG A 62 8.329 -9.688 -3.736 1.00 4.12 H new ATOM 0 HH12 ARG A 62 9.524 -10.664 -4.597 1.00 4.12 H new ATOM 0 HH21 ARG A 62 7.129 -12.526 -6.386 1.00 12.50 H new ATOM 0 HH22 ARG A 62 8.850 -12.259 -6.086 1.00 12.50 H new ATOM 847 N ALA A 63 3.885 -5.761 -6.924 1.00 64.00 N ATOM 848 CA ALA A 63 4.321 -4.598 -7.687 1.00 65.00 C ATOM 849 C ALA A 63 3.508 -3.363 -7.315 1.00 14.10 C ATOM 850 O ALA A 63 4.005 -2.238 -7.377 1.00 53.00 O ATOM 851 CB ALA A 63 4.213 -4.875 -9.179 1.00 4.04 C ATOM 0 H ALA A 63 3.548 -6.537 -7.494 1.00 64.00 H new ATOM 0 HA ALA A 63 5.364 -4.402 -7.441 1.00 65.00 H new ATOM 0 HB1 ALA A 63 4.542 -3.998 -9.737 1.00 4.04 H new ATOM 0 HB2 ALA A 63 4.843 -5.726 -9.437 1.00 4.04 H new ATOM 0 HB3 ALA A 63 3.177 -5.099 -9.433 1.00 4.04 H new ATOM 857 N LYS A 64 2.255 -3.580 -6.928 1.00 31.40 N ATOM 858 CA LYS A 64 1.373 -2.484 -6.546 1.00 74.00 C ATOM 859 C LYS A 64 1.652 -2.033 -5.116 1.00 64.10 C ATOM 860 O LYS A 64 1.495 -0.858 -4.783 1.00 75.10 O ATOM 861 CB LYS A 64 -0.091 -2.909 -6.681 1.00 53.40 C ATOM 862 CG LYS A 64 -0.643 -2.752 -8.089 1.00 65.20 C ATOM 863 CD LYS A 64 -2.158 -2.871 -8.110 1.00 25.00 C ATOM 864 CE LYS A 64 -2.734 -2.409 -9.438 1.00 0.11 C ATOM 865 NZ LYS A 64 -4.118 -2.915 -9.650 1.00 12.10 N ATOM 0 H LYS A 64 1.828 -4.505 -6.871 1.00 31.40 H new ATOM 0 HA LYS A 64 1.565 -1.646 -7.216 1.00 74.00 H new ATOM 0 HB2 LYS A 64 -0.188 -3.951 -6.376 1.00 53.40 H new ATOM 0 HB3 LYS A 64 -0.697 -2.318 -5.994 1.00 53.40 H new ATOM 0 HG2 LYS A 64 -0.348 -1.783 -8.491 1.00 65.20 H new ATOM 0 HG3 LYS A 64 -0.208 -3.512 -8.738 1.00 65.20 H new ATOM 0 HD2 LYS A 64 -2.445 -3.907 -7.928 1.00 25.00 H new ATOM 0 HD3 LYS A 64 -2.582 -2.276 -7.301 1.00 25.00 H new ATOM 0 HE2 LYS A 64 -2.737 -1.320 -9.473 1.00 0.11 H new ATOM 0 HE3 LYS A 64 -2.094 -2.752 -10.250 1.00 0.11 H new ATOM 0 HZ1 LYS A 64 -4.474 -2.577 -10.567 1.00 12.10 H new ATOM 0 HZ2 LYS A 64 -4.112 -3.955 -9.642 1.00 12.10 H new ATOM 0 HZ3 LYS A 64 -4.735 -2.566 -8.889 1.00 12.10 H new ATOM 879 N CYS A 65 2.068 -2.973 -4.274 1.00 22.40 N ATOM 880 CA CYS A 65 2.371 -2.671 -2.880 1.00 40.10 C ATOM 881 C CYS A 65 3.629 -1.817 -2.769 1.00 0.42 C ATOM 882 O CYS A 65 3.694 -0.890 -1.962 1.00 2.33 O ATOM 883 CB CYS A 65 2.546 -3.963 -2.082 1.00 54.10 C ATOM 884 SG CYS A 65 1.000 -4.836 -1.739 1.00 31.00 S ATOM 0 H CYS A 65 2.203 -3.950 -4.533 1.00 22.40 H new ATOM 0 HA CYS A 65 1.534 -2.108 -2.467 1.00 40.10 H new ATOM 0 HB2 CYS A 65 3.212 -4.629 -2.631 1.00 54.10 H new ATOM 0 HB3 CYS A 65 3.036 -3.730 -1.137 1.00 54.10 H new ATOM 0 HG CYS A 65 0.569 -5.400 -2.828 1.00 31.00 H new ATOM 890 N THR A 66 4.628 -2.134 -3.588 1.00 62.10 N ATOM 891 CA THR A 66 5.885 -1.394 -3.582 1.00 14.30 C ATOM 892 C THR A 66 5.692 0.007 -4.151 1.00 74.40 C ATOM 893 O THR A 66 6.232 0.981 -3.624 1.00 21.10 O ATOM 894 CB THR A 66 6.944 -2.144 -4.391 1.00 62.10 C ATOM 895 OG1 THR A 66 7.044 -3.490 -3.960 1.00 41.00 O ATOM 896 CG2 THR A 66 8.322 -1.526 -4.291 1.00 22.40 C ATOM 0 H THR A 66 4.591 -2.898 -4.263 1.00 62.10 H new ATOM 0 HA THR A 66 6.222 -1.304 -2.549 1.00 14.30 H new ATOM 0 HB THR A 66 6.612 -2.085 -5.427 1.00 62.10 H new ATOM 0 HG1 THR A 66 6.266 -3.994 -4.278 1.00 41.00 H new ATOM 0 HG21 THR A 66 9.025 -2.107 -4.888 1.00 22.40 H new ATOM 0 HG22 THR A 66 8.289 -0.502 -4.663 1.00 22.40 H new ATOM 0 HG23 THR A 66 8.645 -1.524 -3.250 1.00 22.40 H new ATOM 904 N GLU A 67 4.920 0.104 -5.228 1.00 21.50 N ATOM 905 CA GLU A 67 4.657 1.388 -5.867 1.00 15.00 C ATOM 906 C GLU A 67 3.958 2.342 -4.903 1.00 75.20 C ATOM 907 O GLU A 67 4.408 3.470 -4.696 1.00 43.40 O ATOM 908 CB GLU A 67 3.799 1.192 -7.119 1.00 60.30 C ATOM 909 CG GLU A 67 3.508 2.483 -7.865 1.00 41.20 C ATOM 910 CD GLU A 67 4.377 2.657 -9.085 1.00 54.40 C ATOM 911 OE1 GLU A 67 4.073 2.038 -10.128 1.00 74.10 O ATOM 912 OE2 GLU A 67 5.369 3.414 -9.007 1.00 13.40 O ATOM 0 H GLU A 67 4.465 -0.691 -5.677 1.00 21.50 H new ATOM 0 HA GLU A 67 5.613 1.825 -6.154 1.00 15.00 H new ATOM 0 HB2 GLU A 67 4.305 0.500 -7.792 1.00 60.30 H new ATOM 0 HB3 GLU A 67 2.856 0.726 -6.834 1.00 60.30 H new ATOM 0 HG2 GLU A 67 2.460 2.496 -8.165 1.00 41.20 H new ATOM 0 HG3 GLU A 67 3.658 3.328 -7.193 1.00 41.20 H new ATOM 919 N TYR A 68 2.858 1.883 -4.317 1.00 44.30 N ATOM 920 CA TYR A 68 2.099 2.696 -3.374 1.00 44.40 C ATOM 921 C TYR A 68 2.922 2.991 -2.125 1.00 3.43 C ATOM 922 O TYR A 68 2.793 4.058 -1.523 1.00 51.50 O ATOM 923 CB TYR A 68 0.800 1.985 -2.987 1.00 14.10 C ATOM 924 CG TYR A 68 -0.140 1.767 -4.151 1.00 44.40 C ATOM 925 CD1 TYR A 68 -0.360 2.767 -5.090 1.00 71.20 C ATOM 926 CD2 TYR A 68 -0.808 0.559 -4.312 1.00 14.30 C ATOM 927 CE1 TYR A 68 -1.219 2.571 -6.154 1.00 41.20 C ATOM 928 CE2 TYR A 68 -1.669 0.355 -5.374 1.00 43.10 C ATOM 929 CZ TYR A 68 -1.870 1.364 -6.292 1.00 50.10 C ATOM 930 OH TYR A 68 -2.726 1.165 -7.351 1.00 70.40 O ATOM 0 H TYR A 68 2.472 0.953 -4.478 1.00 44.30 H new ATOM 0 HA TYR A 68 1.857 3.642 -3.859 1.00 44.40 H new ATOM 0 HB2 TYR A 68 1.042 1.020 -2.541 1.00 14.10 H new ATOM 0 HB3 TYR A 68 0.289 2.570 -2.223 1.00 14.10 H new ATOM 0 HD1 TYR A 68 0.149 3.714 -4.986 1.00 71.20 H new ATOM 0 HD2 TYR A 68 -0.652 -0.234 -3.595 1.00 14.30 H new ATOM 0 HE1 TYR A 68 -1.380 3.360 -6.874 1.00 41.20 H new ATOM 0 HE2 TYR A 68 -2.181 -0.589 -5.484 1.00 43.10 H new ATOM 0 HH TYR A 68 -3.102 0.261 -7.302 1.00 70.40 H new ATOM 940 N LEU A 69 3.765 2.040 -1.739 1.00 63.40 N ATOM 941 CA LEU A 69 4.610 2.199 -0.561 1.00 61.10 C ATOM 942 C LEU A 69 5.649 3.293 -0.780 1.00 11.10 C ATOM 943 O LEU A 69 5.830 4.169 0.066 1.00 12.30 O ATOM 944 CB LEU A 69 5.306 0.877 -0.226 1.00 24.20 C ATOM 945 CG LEU A 69 4.512 -0.059 0.686 1.00 75.20 C ATOM 946 CD1 LEU A 69 5.021 -1.486 0.558 1.00 73.10 C ATOM 947 CD2 LEU A 69 4.592 0.410 2.131 1.00 50.40 C ATOM 0 H LEU A 69 3.882 1.151 -2.225 1.00 63.40 H new ATOM 0 HA LEU A 69 3.974 2.490 0.275 1.00 61.10 H new ATOM 0 HB2 LEU A 69 5.525 0.353 -1.156 1.00 24.20 H new ATOM 0 HB3 LEU A 69 6.262 1.097 0.249 1.00 24.20 H new ATOM 0 HG LEU A 69 3.467 -0.038 0.376 1.00 75.20 H new ATOM 0 HD11 LEU A 69 4.444 -2.138 1.214 1.00 73.10 H new ATOM 0 HD12 LEU A 69 4.911 -1.820 -0.474 1.00 73.10 H new ATOM 0 HD13 LEU A 69 6.073 -1.524 0.842 1.00 73.10 H new ATOM 0 HD21 LEU A 69 4.021 -0.268 2.766 1.00 50.40 H new ATOM 0 HD22 LEU A 69 5.633 0.419 2.454 1.00 50.40 H new ATOM 0 HD23 LEU A 69 4.179 1.416 2.211 1.00 50.40 H new ATOM 959 N ASP A 70 6.329 3.237 -1.920 1.00 4.32 N ATOM 960 CA ASP A 70 7.350 4.225 -2.250 1.00 71.30 C ATOM 961 C ASP A 70 6.743 5.620 -2.356 1.00 12.30 C ATOM 962 O ASP A 70 7.352 6.605 -1.942 1.00 73.10 O ATOM 963 CB ASP A 70 8.041 3.855 -3.564 1.00 31.20 C ATOM 964 CG ASP A 70 9.310 4.652 -3.795 1.00 11.00 C ATOM 965 OD1 ASP A 70 9.245 5.899 -3.738 1.00 4.53 O ATOM 966 OD2 ASP A 70 10.366 4.031 -4.032 1.00 1.12 O ATOM 0 H ASP A 70 6.192 2.518 -2.631 1.00 4.32 H new ATOM 0 HA ASP A 70 8.088 4.230 -1.448 1.00 71.30 H new ATOM 0 HB2 ASP A 70 8.279 2.791 -3.559 1.00 31.20 H new ATOM 0 HB3 ASP A 70 7.353 4.024 -4.393 1.00 31.20 H new ATOM 971 N ARG A 71 5.539 5.695 -2.914 1.00 42.10 N ATOM 972 CA ARG A 71 4.850 6.970 -3.075 1.00 14.30 C ATOM 973 C ARG A 71 4.577 7.615 -1.720 1.00 45.20 C ATOM 974 O ARG A 71 4.848 8.798 -1.519 1.00 24.40 O ATOM 975 CB ARG A 71 3.536 6.770 -3.832 1.00 54.50 C ATOM 976 CG ARG A 71 3.192 7.918 -4.766 1.00 64.30 C ATOM 977 CD ARG A 71 3.142 9.244 -4.025 1.00 42.50 C ATOM 978 NE ARG A 71 4.423 9.944 -4.068 1.00 50.20 N ATOM 979 CZ ARG A 71 4.870 10.609 -5.131 1.00 41.30 C ATOM 980 NH1 ARG A 71 4.143 10.667 -6.241 1.00 32.20 N ATOM 981 NH2 ARG A 71 6.047 11.218 -5.086 1.00 23.30 N ATOM 0 H ARG A 71 5.021 4.888 -3.262 1.00 42.10 H new ATOM 0 HA ARG A 71 5.495 7.634 -3.650 1.00 14.30 H new ATOM 0 HB2 ARG A 71 3.596 5.848 -4.410 1.00 54.50 H new ATOM 0 HB3 ARG A 71 2.727 6.643 -3.112 1.00 54.50 H new ATOM 0 HG2 ARG A 71 3.933 7.974 -5.564 1.00 64.30 H new ATOM 0 HG3 ARG A 71 2.228 7.728 -5.238 1.00 64.30 H new ATOM 0 HD2 ARG A 71 2.369 9.875 -4.463 1.00 42.50 H new ATOM 0 HD3 ARG A 71 2.859 9.069 -2.987 1.00 42.50 H new ATOM 0 HE ARG A 71 5.010 9.922 -3.234 1.00 50.20 H new ATOM 0 HH11 ARG A 71 3.237 10.200 -6.282 1.00 32.20 H new ATOM 0 HH12 ARG A 71 4.491 11.178 -7.052 1.00 32.20 H new ATOM 0 HH21 ARG A 71 6.610 11.177 -4.237 1.00 23.30 H new ATOM 0 HH22 ARG A 71 6.389 11.727 -5.901 1.00 23.30 H new ATOM 995 N ALA A 72 4.040 6.828 -0.794 1.00 34.20 N ATOM 996 CA ALA A 72 3.730 7.322 0.543 1.00 4.42 C ATOM 997 C ALA A 72 4.993 7.779 1.265 1.00 60.30 C ATOM 998 O ALA A 72 4.973 8.755 2.014 1.00 22.10 O ATOM 999 CB ALA A 72 3.016 6.248 1.350 1.00 63.40 C ATOM 0 H ALA A 72 3.810 5.846 -0.944 1.00 34.20 H new ATOM 0 HA ALA A 72 3.069 8.183 0.442 1.00 4.42 H new ATOM 0 HB1 ALA A 72 2.791 6.630 2.346 1.00 63.40 H new ATOM 0 HB2 ALA A 72 2.088 5.973 0.849 1.00 63.40 H new ATOM 0 HB3 ALA A 72 3.657 5.370 1.435 1.00 63.40 H new ATOM 1005 N GLU A 73 6.090 7.064 1.036 1.00 63.40 N ATOM 1006 CA GLU A 73 7.363 7.395 1.665 1.00 42.10 C ATOM 1007 C GLU A 73 7.813 8.801 1.276 1.00 73.20 C ATOM 1008 O GLU A 73 8.362 9.536 2.095 1.00 54.30 O ATOM 1009 CB GLU A 73 8.432 6.376 1.268 1.00 4.54 C ATOM 1010 CG GLU A 73 8.323 5.057 2.016 1.00 20.40 C ATOM 1011 CD GLU A 73 9.325 4.029 1.532 1.00 53.00 C ATOM 1012 OE1 GLU A 73 10.413 4.431 1.067 1.00 4.20 O ATOM 1013 OE2 GLU A 73 9.024 2.820 1.616 1.00 5.44 O ATOM 0 H GLU A 73 6.123 6.252 0.420 1.00 63.40 H new ATOM 0 HA GLU A 73 7.225 7.363 2.746 1.00 42.10 H new ATOM 0 HB2 GLU A 73 8.359 6.184 0.197 1.00 4.54 H new ATOM 0 HB3 GLU A 73 9.417 6.806 1.449 1.00 4.54 H new ATOM 0 HG2 GLU A 73 8.475 5.234 3.081 1.00 20.40 H new ATOM 0 HG3 GLU A 73 7.315 4.659 1.899 1.00 20.40 H new ATOM 1020 N LYS A 74 7.575 9.164 0.020 1.00 21.10 N ATOM 1021 CA LYS A 74 7.956 10.482 -0.478 1.00 14.30 C ATOM 1022 C LYS A 74 7.065 11.567 0.118 1.00 31.30 C ATOM 1023 O LYS A 74 7.517 12.684 0.372 1.00 3.22 O ATOM 1024 CB LYS A 74 7.870 10.517 -2.005 1.00 60.30 C ATOM 1025 CG LYS A 74 8.943 11.375 -2.656 1.00 1.50 C ATOM 1026 CD LYS A 74 9.381 10.798 -3.988 1.00 72.10 C ATOM 1027 CE LYS A 74 10.876 10.964 -4.199 1.00 33.30 C ATOM 1028 NZ LYS A 74 11.643 9.792 -3.690 1.00 20.20 N ATOM 0 H LYS A 74 7.121 8.566 -0.671 1.00 21.10 H new ATOM 0 HA LYS A 74 8.985 10.675 -0.174 1.00 14.30 H new ATOM 0 HB2 LYS A 74 7.948 9.500 -2.388 1.00 60.30 H new ATOM 0 HB3 LYS A 74 6.889 10.893 -2.297 1.00 60.30 H new ATOM 0 HG2 LYS A 74 8.563 12.386 -2.803 1.00 1.50 H new ATOM 0 HG3 LYS A 74 9.803 11.452 -1.991 1.00 1.50 H new ATOM 0 HD2 LYS A 74 9.121 9.740 -4.031 1.00 72.10 H new ATOM 0 HD3 LYS A 74 8.841 11.292 -4.796 1.00 72.10 H new ATOM 0 HE2 LYS A 74 11.080 11.098 -5.261 1.00 33.30 H new ATOM 0 HE3 LYS A 74 11.216 11.868 -3.693 1.00 33.30 H new ATOM 0 HZ1 LYS A 74 12.659 9.945 -3.853 1.00 20.20 H new ATOM 0 HZ2 LYS A 74 11.469 9.679 -2.671 1.00 20.20 H new ATOM 0 HZ3 LYS A 74 11.337 8.933 -4.191 1.00 20.20 H new ATOM 1042 N LEU A 75 5.798 11.231 0.338 1.00 3.21 N ATOM 1043 CA LEU A 75 4.844 12.176 0.904 1.00 42.10 C ATOM 1044 C LEU A 75 5.085 12.364 2.399 1.00 13.00 C ATOM 1045 O LEU A 75 5.031 13.481 2.912 1.00 70.30 O ATOM 1046 CB LEU A 75 3.413 11.694 0.664 1.00 70.40 C ATOM 1047 CG LEU A 75 2.801 12.123 -0.672 1.00 54.40 C ATOM 1048 CD1 LEU A 75 3.700 11.708 -1.826 1.00 52.20 C ATOM 1049 CD2 LEU A 75 1.411 11.526 -0.835 1.00 52.40 C ATOM 0 H LEU A 75 5.409 10.311 0.133 1.00 3.21 H new ATOM 0 HA LEU A 75 4.985 13.136 0.408 1.00 42.10 H new ATOM 0 HB2 LEU A 75 3.398 10.606 0.720 1.00 70.40 H new ATOM 0 HB3 LEU A 75 2.781 12.064 1.471 1.00 70.40 H new ATOM 0 HG LEU A 75 2.712 13.209 -0.680 1.00 54.40 H new ATOM 0 HD11 LEU A 75 3.250 12.021 -2.768 1.00 52.20 H new ATOM 0 HD12 LEU A 75 4.676 12.181 -1.715 1.00 52.20 H new ATOM 0 HD13 LEU A 75 3.819 10.625 -1.823 1.00 52.20 H new ATOM 0 HD21 LEU A 75 0.990 11.841 -1.790 1.00 52.40 H new ATOM 0 HD22 LEU A 75 1.477 10.438 -0.808 1.00 52.40 H new ATOM 0 HD23 LEU A 75 0.769 11.871 -0.024 1.00 52.40 H new ATOM 1061 N LYS A 76 5.353 11.262 3.093 1.00 30.30 N ATOM 1062 CA LYS A 76 5.603 11.305 4.529 1.00 1.32 C ATOM 1063 C LYS A 76 6.806 12.188 4.845 1.00 22.30 C ATOM 1064 O LYS A 76 6.826 12.886 5.859 1.00 21.00 O ATOM 1065 CB LYS A 76 5.837 9.893 5.069 1.00 4.02 C ATOM 1066 CG LYS A 76 5.418 9.720 6.520 1.00 50.10 C ATOM 1067 CD LYS A 76 5.954 8.423 7.103 1.00 0.24 C ATOM 1068 CE LYS A 76 7.474 8.390 7.086 1.00 12.40 C ATOM 1069 NZ LYS A 76 8.022 7.474 8.126 1.00 72.20 N ATOM 0 H LYS A 76 5.403 10.329 2.684 1.00 30.30 H new ATOM 0 HA LYS A 76 4.724 11.731 5.013 1.00 1.32 H new ATOM 0 HB2 LYS A 76 5.287 9.182 4.453 1.00 4.02 H new ATOM 0 HB3 LYS A 76 6.894 9.647 4.973 1.00 4.02 H new ATOM 0 HG2 LYS A 76 5.782 10.562 7.108 1.00 50.10 H new ATOM 0 HG3 LYS A 76 4.330 9.729 6.589 1.00 50.10 H new ATOM 0 HD2 LYS A 76 5.598 8.309 8.127 1.00 0.24 H new ATOM 0 HD3 LYS A 76 5.564 7.579 6.534 1.00 0.24 H new ATOM 0 HE2 LYS A 76 7.819 8.071 6.103 1.00 12.40 H new ATOM 0 HE3 LYS A 76 7.861 9.396 7.248 1.00 12.40 H new ATOM 0 HZ1 LYS A 76 9.061 7.480 8.081 1.00 72.20 H new ATOM 0 HZ2 LYS A 76 7.714 7.793 9.067 1.00 72.20 H new ATOM 0 HZ3 LYS A 76 7.674 6.509 7.957 1.00 72.20 H new ATOM 1083 N GLU A 77 7.805 12.156 3.969 1.00 64.20 N ATOM 1084 CA GLU A 77 9.009 12.956 4.153 1.00 25.20 C ATOM 1085 C GLU A 77 8.737 14.421 3.831 1.00 71.50 C ATOM 1086 O GLU A 77 8.976 15.303 4.656 1.00 2.23 O ATOM 1087 CB GLU A 77 10.139 12.427 3.267 1.00 54.00 C ATOM 1088 CG GLU A 77 11.514 12.526 3.909 1.00 51.40 C ATOM 1089 CD GLU A 77 12.636 12.484 2.891 1.00 55.20 C ATOM 1090 OE1 GLU A 77 12.535 13.188 1.865 1.00 1.23 O ATOM 1091 OE2 GLU A 77 13.618 11.746 3.122 1.00 61.50 O ATOM 0 H GLU A 77 7.804 11.584 3.124 1.00 64.20 H new ATOM 0 HA GLU A 77 9.312 12.880 5.197 1.00 25.20 H new ATOM 0 HB2 GLU A 77 9.937 11.385 3.019 1.00 54.00 H new ATOM 0 HB3 GLU A 77 10.144 12.983 2.329 1.00 54.00 H new ATOM 0 HG2 GLU A 77 11.579 13.453 4.478 1.00 51.40 H new ATOM 0 HG3 GLU A 77 11.640 11.707 4.617 1.00 51.40 H new ATOM 1098 N TYR A 78 8.232 14.669 2.629 1.00 44.30 N ATOM 1099 CA TYR A 78 7.921 16.023 2.193 1.00 34.20 C ATOM 1100 C TYR A 78 6.881 16.659 3.115 1.00 64.40 C ATOM 1101 O TYR A 78 6.885 17.871 3.329 1.00 30.50 O ATOM 1102 CB TYR A 78 7.422 16.003 0.739 1.00 44.20 C ATOM 1103 CG TYR A 78 6.395 17.066 0.413 1.00 34.20 C ATOM 1104 CD1 TYR A 78 5.058 16.889 0.747 1.00 32.30 C ATOM 1105 CD2 TYR A 78 6.762 18.243 -0.227 1.00 51.20 C ATOM 1106 CE1 TYR A 78 4.116 17.857 0.452 1.00 64.30 C ATOM 1107 CE2 TYR A 78 5.826 19.215 -0.525 1.00 62.10 C ATOM 1108 CZ TYR A 78 4.505 19.017 -0.184 1.00 34.40 C ATOM 1109 OH TYR A 78 3.569 19.982 -0.480 1.00 73.10 O ATOM 0 H TYR A 78 8.029 13.947 1.937 1.00 44.30 H new ATOM 0 HA TYR A 78 8.827 16.626 2.242 1.00 34.20 H new ATOM 0 HB2 TYR A 78 8.276 16.125 0.073 1.00 44.20 H new ATOM 0 HB3 TYR A 78 6.992 15.024 0.529 1.00 44.20 H new ATOM 0 HD1 TYR A 78 4.750 15.981 1.245 1.00 32.30 H new ATOM 0 HD2 TYR A 78 7.796 18.401 -0.496 1.00 51.20 H new ATOM 0 HE1 TYR A 78 3.080 17.705 0.718 1.00 64.30 H new ATOM 0 HE2 TYR A 78 6.128 20.125 -1.022 1.00 62.10 H new ATOM 0 HH TYR A 78 4.007 20.736 -0.927 1.00 73.10 H new ATOM 1119 N LEU A 79 5.992 15.831 3.656 1.00 41.10 N ATOM 1120 CA LEU A 79 4.949 16.311 4.554 1.00 13.40 C ATOM 1121 C LEU A 79 5.532 16.692 5.912 1.00 12.40 C ATOM 1122 O LEU A 79 5.037 17.601 6.577 1.00 33.20 O ATOM 1123 CB LEU A 79 3.868 15.244 4.731 1.00 32.10 C ATOM 1124 CG LEU A 79 2.904 15.097 3.553 1.00 64.40 C ATOM 1125 CD1 LEU A 79 2.133 13.790 3.654 1.00 21.40 C ATOM 1126 CD2 LEU A 79 1.949 16.279 3.496 1.00 34.20 C ATOM 0 H LEU A 79 5.974 14.825 3.488 1.00 41.10 H new ATOM 0 HA LEU A 79 4.502 17.200 4.109 1.00 13.40 H new ATOM 0 HB2 LEU A 79 4.352 14.283 4.906 1.00 32.10 H new ATOM 0 HB3 LEU A 79 3.291 15.478 5.626 1.00 32.10 H new ATOM 0 HG LEU A 79 3.486 15.081 2.631 1.00 64.40 H new ATOM 0 HD11 LEU A 79 1.452 13.703 2.807 1.00 21.40 H new ATOM 0 HD12 LEU A 79 2.832 12.954 3.645 1.00 21.40 H new ATOM 0 HD13 LEU A 79 1.562 13.775 4.582 1.00 21.40 H new ATOM 0 HD21 LEU A 79 1.270 16.158 2.652 1.00 34.20 H new ATOM 0 HD22 LEU A 79 1.373 16.327 4.420 1.00 34.20 H new ATOM 0 HD23 LEU A 79 2.518 17.201 3.375 1.00 34.20 H new ATOM 1138 N LYS A 80 6.585 15.990 6.315 1.00 44.00 N ATOM 1139 CA LYS A 80 7.235 16.253 7.593 1.00 64.20 C ATOM 1140 C LYS A 80 8.262 17.373 7.461 1.00 1.43 C ATOM 1141 O LYS A 80 8.281 18.310 8.261 1.00 12.10 O ATOM 1142 CB LYS A 80 7.913 14.985 8.116 1.00 62.20 C ATOM 1143 CG LYS A 80 7.003 14.118 8.971 1.00 25.50 C ATOM 1144 CD LYS A 80 7.789 13.054 9.718 1.00 64.30 C ATOM 1145 CE LYS A 80 8.794 13.673 10.677 1.00 64.50 C ATOM 1146 NZ LYS A 80 9.001 12.830 11.887 1.00 23.20 N ATOM 0 H LYS A 80 7.007 15.234 5.775 1.00 44.00 H new ATOM 0 HA LYS A 80 6.469 16.567 8.303 1.00 64.20 H new ATOM 0 HB2 LYS A 80 8.270 14.398 7.270 1.00 62.20 H new ATOM 0 HB3 LYS A 80 8.789 15.266 8.701 1.00 62.20 H new ATOM 0 HG2 LYS A 80 6.467 14.744 9.684 1.00 25.50 H new ATOM 0 HG3 LYS A 80 6.253 13.642 8.339 1.00 25.50 H new ATOM 0 HD2 LYS A 80 7.102 12.415 10.272 1.00 64.30 H new ATOM 0 HD3 LYS A 80 8.311 12.417 9.004 1.00 64.30 H new ATOM 0 HE2 LYS A 80 9.746 13.812 10.165 1.00 64.50 H new ATOM 0 HE3 LYS A 80 8.447 14.661 10.978 1.00 64.50 H new ATOM 0 HZ1 LYS A 80 9.693 13.287 12.515 1.00 23.20 H new ATOM 0 HZ2 LYS A 80 8.098 12.718 12.391 1.00 23.20 H new ATOM 0 HZ3 LYS A 80 9.357 11.895 11.602 1.00 23.20 H new ATOM 1160 N ASN A 81 9.113 17.273 6.445 1.00 33.20 N ATOM 1161 CA ASN A 81 10.142 18.277 6.208 1.00 24.00 C ATOM 1162 C ASN A 81 9.524 19.590 5.738 1.00 0.31 C ATOM 1163 O ASN A 81 9.627 20.614 6.413 1.00 55.10 O ATOM 1164 CB ASN A 81 11.147 17.773 5.170 1.00 4.43 C ATOM 1165 CG ASN A 81 12.103 16.747 5.742 1.00 50.10 C ATOM 1166 OD1 ASN A 81 12.697 16.956 6.800 1.00 51.20 O ATOM 1167 ND2 ASN A 81 12.258 15.627 5.044 1.00 42.50 N ATOM 0 H ASN A 81 9.110 16.506 5.773 1.00 33.20 H new ATOM 0 HA ASN A 81 10.661 18.457 7.149 1.00 24.00 H new ATOM 0 HB2 ASN A 81 10.608 17.335 4.330 1.00 4.43 H new ATOM 0 HB3 ASN A 81 11.715 18.617 4.779 1.00 4.43 H new ATOM 0 HD21 ASN A 81 12.889 14.900 5.380 1.00 42.50 H new ATOM 0 HD22 ASN A 81 11.746 15.495 4.172 1.00 42.50 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 8.653 -11.210 -1.157 1.00 45.20 N ATOM 1176 CA ASP B 116 7.447 -10.930 -0.390 1.00 14.40 C ATOM 1177 C ASP B 116 7.789 -10.274 0.945 1.00 55.20 C ATOM 1178 O ASP B 116 7.020 -9.470 1.470 1.00 51.20 O ATOM 1179 CB ASP B 116 6.656 -12.218 -0.151 1.00 10.10 C ATOM 1180 CG ASP B 116 6.445 -13.011 -1.426 1.00 13.50 C ATOM 1181 OD1 ASP B 116 7.447 -13.338 -2.094 1.00 41.30 O ATOM 1182 OD2 ASP B 116 5.277 -13.306 -1.756 1.00 51.00 O ATOM 0 HA ASP B 116 6.834 -10.238 -0.968 1.00 14.40 H new ATOM 0 HB2 ASP B 116 7.184 -12.836 0.575 1.00 10.10 H new ATOM 0 HB3 ASP B 116 5.688 -11.971 0.285 1.00 10.10 H new ATOM 1187 N GLU B 117 8.949 -10.625 1.489 1.00 71.50 N ATOM 1188 CA GLU B 117 9.398 -10.076 2.762 1.00 4.13 C ATOM 1189 C GLU B 117 9.785 -8.607 2.612 1.00 12.00 C ATOM 1190 O GLU B 117 9.596 -7.806 3.529 1.00 4.42 O ATOM 1191 CB GLU B 117 10.586 -10.877 3.302 1.00 51.30 C ATOM 1192 CG GLU B 117 10.247 -12.321 3.619 1.00 44.30 C ATOM 1193 CD GLU B 117 11.348 -13.279 3.206 1.00 21.40 C ATOM 1194 OE1 GLU B 117 11.341 -13.724 2.039 1.00 2.10 O ATOM 1195 OE2 GLU B 117 12.216 -13.581 4.050 1.00 31.30 O ATOM 0 H GLU B 117 9.597 -11.290 1.066 1.00 71.50 H new ATOM 0 HA GLU B 117 8.573 -10.147 3.470 1.00 4.13 H new ATOM 0 HB2 GLU B 117 11.393 -10.854 2.570 1.00 51.30 H new ATOM 0 HB3 GLU B 117 10.960 -10.393 4.204 1.00 51.30 H new ATOM 0 HG2 GLU B 117 10.064 -12.422 4.689 1.00 44.30 H new ATOM 0 HG3 GLU B 117 9.322 -12.594 3.111 1.00 44.30 H new ATOM 1202 N GLU B 118 10.323 -8.254 1.448 1.00 13.10 N ATOM 1203 CA GLU B 118 10.738 -6.885 1.178 1.00 35.20 C ATOM 1204 C GLU B 118 9.549 -5.941 1.243 1.00 62.20 C ATOM 1205 O GLU B 118 9.592 -4.918 1.930 1.00 20.00 O ATOM 1206 CB GLU B 118 11.406 -6.796 -0.196 1.00 31.10 C ATOM 1207 CG GLU B 118 12.907 -7.014 -0.158 1.00 34.10 C ATOM 1208 CD GLU B 118 13.651 -5.882 0.516 1.00 5.24 C ATOM 1209 OE1 GLU B 118 13.012 -5.124 1.276 1.00 21.20 O ATOM 1210 OE2 GLU B 118 14.871 -5.749 0.285 1.00 21.10 O ATOM 0 H GLU B 118 10.481 -8.901 0.676 1.00 13.10 H new ATOM 0 HA GLU B 118 11.457 -6.588 1.941 1.00 35.20 H new ATOM 0 HB2 GLU B 118 10.957 -7.537 -0.858 1.00 31.10 H new ATOM 0 HB3 GLU B 118 11.201 -5.816 -0.628 1.00 31.10 H new ATOM 0 HG2 GLU B 118 13.120 -7.945 0.367 1.00 34.10 H new ATOM 0 HG3 GLU B 118 13.278 -7.130 -1.176 1.00 34.10 H new ATOM 1217 N ILE B 119 8.481 -6.276 0.525 1.00 43.30 N ATOM 1218 CA ILE B 119 7.280 -5.463 0.503 1.00 75.10 C ATOM 1219 C ILE B 119 6.634 -5.401 1.884 1.00 25.10 C ATOM 1220 O ILE B 119 6.058 -4.382 2.265 1.00 63.30 O ATOM 1221 CB ILE B 119 6.252 -6.000 -0.513 1.00 62.20 C ATOM 1222 CG1 ILE B 119 6.902 -6.176 -1.886 1.00 10.40 C ATOM 1223 CG2 ILE B 119 5.056 -5.063 -0.604 1.00 72.50 C ATOM 1224 CD1 ILE B 119 5.945 -6.666 -2.951 1.00 34.00 C ATOM 0 H ILE B 119 8.428 -7.115 -0.053 1.00 43.30 H new ATOM 0 HA ILE B 119 7.583 -4.460 0.201 1.00 75.10 H new ATOM 0 HB ILE B 119 5.901 -6.973 -0.170 1.00 62.20 H new ATOM 0 HG12 ILE B 119 7.327 -5.224 -2.202 1.00 10.40 H new ATOM 0 HG13 ILE B 119 7.729 -6.881 -1.800 1.00 10.40 H new ATOM 0 HG21 ILE B 119 4.340 -5.456 -1.325 1.00 72.50 H new ATOM 0 HG22 ILE B 119 4.580 -4.984 0.374 1.00 72.50 H new ATOM 0 HG23 ILE B 119 5.390 -4.077 -0.926 1.00 72.50 H new ATOM 0 HD11 ILE B 119 6.475 -6.767 -3.898 1.00 34.00 H new ATOM 0 HD12 ILE B 119 5.538 -7.634 -2.657 1.00 34.00 H new ATOM 0 HD13 ILE B 119 5.131 -5.950 -3.066 1.00 34.00 H new ATOM 1236 N GLU B 120 6.732 -6.490 2.629 1.00 53.50 N ATOM 1237 CA GLU B 120 6.157 -6.559 3.966 1.00 62.40 C ATOM 1238 C GLU B 120 6.922 -5.664 4.934 1.00 23.20 C ATOM 1239 O GLU B 120 6.348 -5.126 5.880 1.00 12.00 O ATOM 1240 CB GLU B 120 6.173 -8.003 4.476 1.00 42.30 C ATOM 1241 CG GLU B 120 5.314 -8.225 5.709 1.00 30.10 C ATOM 1242 CD GLU B 120 6.075 -7.995 7.000 1.00 74.40 C ATOM 1243 OE1 GLU B 120 6.815 -8.902 7.424 1.00 74.50 O ATOM 1244 OE2 GLU B 120 5.927 -6.897 7.588 1.00 24.20 O ATOM 0 H GLU B 120 7.206 -7.342 2.331 1.00 53.50 H new ATOM 0 HA GLU B 120 5.126 -6.209 3.909 1.00 62.40 H new ATOM 0 HB2 GLU B 120 5.829 -8.664 3.680 1.00 42.30 H new ATOM 0 HB3 GLU B 120 7.200 -8.287 4.704 1.00 42.30 H new ATOM 0 HG2 GLU B 120 4.455 -7.555 5.674 1.00 30.10 H new ATOM 0 HG3 GLU B 120 4.925 -9.243 5.698 1.00 30.10 H new ATOM 1251 N ARG B 121 8.220 -5.507 4.689 1.00 53.20 N ATOM 1252 CA ARG B 121 9.060 -4.668 5.538 1.00 55.40 C ATOM 1253 C ARG B 121 8.801 -3.192 5.275 1.00 13.40 C ATOM 1254 O ARG B 121 8.896 -2.363 6.180 1.00 2.01 O ATOM 1255 CB ARG B 121 10.538 -4.990 5.302 1.00 31.30 C ATOM 1256 CG ARG B 121 11.062 -6.107 6.181 1.00 21.30 C ATOM 1257 CD ARG B 121 12.514 -5.878 6.574 1.00 34.50 C ATOM 1258 NE ARG B 121 12.629 -5.108 7.810 1.00 25.00 N ATOM 1259 CZ ARG B 121 12.229 -5.552 8.999 1.00 62.30 C ATOM 1260 NH1 ARG B 121 11.689 -6.761 9.117 1.00 4.23 N ATOM 1261 NH2 ARG B 121 12.369 -4.784 10.075 1.00 60.30 N ATOM 0 H ARG B 121 8.712 -5.948 3.912 1.00 53.20 H new ATOM 0 HA ARG B 121 8.809 -4.880 6.577 1.00 55.40 H new ATOM 0 HB2 ARG B 121 10.679 -5.265 4.257 1.00 31.30 H new ATOM 0 HB3 ARG B 121 11.130 -4.092 5.478 1.00 31.30 H new ATOM 0 HG2 ARG B 121 10.449 -6.182 7.079 1.00 21.30 H new ATOM 0 HG3 ARG B 121 10.973 -7.057 5.654 1.00 21.30 H new ATOM 0 HD2 ARG B 121 13.013 -6.839 6.698 1.00 34.50 H new ATOM 0 HD3 ARG B 121 13.029 -5.353 5.770 1.00 34.50 H new ATOM 0 HE ARG B 121 13.040 -4.176 7.759 1.00 25.00 H new ATOM 0 HH11 ARG B 121 11.580 -7.353 8.294 1.00 4.23 H new ATOM 0 HH12 ARG B 121 11.384 -7.096 10.031 1.00 4.23 H new ATOM 0 HH21 ARG B 121 12.783 -3.856 9.989 1.00 60.30 H new ATOM 0 HH22 ARG B 121 12.063 -5.123 10.987 1.00 60.30 H new ATOM 1275 N GLN B 122 8.474 -2.866 4.028 1.00 20.40 N ATOM 1276 CA GLN B 122 8.201 -1.487 3.645 1.00 24.40 C ATOM 1277 C GLN B 122 6.966 -0.955 4.366 1.00 11.30 C ATOM 1278 O GLN B 122 7.016 0.086 5.020 1.00 30.40 O ATOM 1279 CB GLN B 122 8.005 -1.384 2.131 1.00 13.40 C ATOM 1280 CG GLN B 122 9.171 -1.938 1.328 1.00 44.40 C ATOM 1281 CD GLN B 122 9.439 -1.141 0.066 1.00 50.10 C ATOM 1282 OE1 GLN B 122 10.445 -0.441 -0.037 1.00 45.00 O ATOM 1283 NE2 GLN B 122 8.536 -1.246 -0.903 1.00 24.30 N ATOM 0 H GLN B 122 8.392 -3.539 3.266 1.00 20.40 H new ATOM 0 HA GLN B 122 9.059 -0.880 3.936 1.00 24.40 H new ATOM 0 HB2 GLN B 122 7.097 -1.919 1.853 1.00 13.40 H new ATOM 0 HB3 GLN B 122 7.854 -0.338 1.863 1.00 13.40 H new ATOM 0 HG2 GLN B 122 10.067 -1.941 1.949 1.00 44.40 H new ATOM 0 HG3 GLN B 122 8.965 -2.975 1.062 1.00 44.40 H new ATOM 0 HE21 GLN B 122 7.716 -1.839 -0.774 1.00 24.30 H new ATOM 0 HE22 GLN B 122 8.663 -0.734 -1.776 1.00 24.30 H new ATOM 1292 N LEU B 123 5.858 -1.679 4.242 1.00 43.10 N ATOM 1293 CA LEU B 123 4.609 -1.281 4.882 1.00 43.40 C ATOM 1294 C LEU B 123 4.773 -1.214 6.397 1.00 1.44 C ATOM 1295 O LEU B 123 4.202 -0.344 7.055 1.00 74.10 O ATOM 1296 CB LEU B 123 3.491 -2.260 4.520 1.00 43.00 C ATOM 1297 CG LEU B 123 3.806 -3.732 4.791 1.00 31.30 C ATOM 1298 CD1 LEU B 123 3.343 -4.128 6.185 1.00 21.20 C ATOM 1299 CD2 LEU B 123 3.156 -4.618 3.739 1.00 32.40 C ATOM 0 H LEU B 123 5.800 -2.544 3.704 1.00 43.10 H new ATOM 0 HA LEU B 123 4.343 -0.288 4.519 1.00 43.40 H new ATOM 0 HB2 LEU B 123 2.595 -1.987 5.078 1.00 43.00 H new ATOM 0 HB3 LEU B 123 3.255 -2.144 3.462 1.00 43.00 H new ATOM 0 HG LEU B 123 4.886 -3.870 4.736 1.00 31.30 H new ATOM 0 HD11 LEU B 123 3.575 -5.178 6.361 1.00 21.20 H new ATOM 0 HD12 LEU B 123 3.855 -3.514 6.926 1.00 21.20 H new ATOM 0 HD13 LEU B 123 2.267 -3.975 6.268 1.00 21.20 H new ATOM 0 HD21 LEU B 123 3.390 -5.662 3.947 1.00 32.40 H new ATOM 0 HD22 LEU B 123 2.075 -4.477 3.762 1.00 32.40 H new ATOM 0 HD23 LEU B 123 3.536 -4.351 2.753 1.00 32.40 H new ATOM 1311 N LYS B 124 5.556 -2.138 6.945 1.00 72.10 N ATOM 1312 CA LYS B 124 5.794 -2.182 8.383 1.00 73.50 C ATOM 1313 C LYS B 124 6.477 -0.905 8.861 1.00 23.10 C ATOM 1314 O LYS B 124 6.270 -0.464 9.990 1.00 13.10 O ATOM 1315 CB LYS B 124 6.651 -3.398 8.741 1.00 74.40 C ATOM 1316 CG LYS B 124 6.284 -4.029 10.074 1.00 65.40 C ATOM 1317 CD LYS B 124 7.325 -5.045 10.514 1.00 51.20 C ATOM 1318 CE LYS B 124 7.074 -5.517 11.937 1.00 61.30 C ATOM 1319 NZ LYS B 124 5.928 -6.464 12.014 1.00 55.10 N ATOM 0 H LYS B 124 6.036 -2.866 6.415 1.00 72.10 H new ATOM 0 HA LYS B 124 4.829 -2.265 8.884 1.00 73.50 H new ATOM 0 HB2 LYS B 124 6.552 -4.146 7.955 1.00 74.40 H new ATOM 0 HB3 LYS B 124 7.699 -3.099 8.766 1.00 74.40 H new ATOM 0 HG2 LYS B 124 6.190 -3.252 10.832 1.00 65.40 H new ATOM 0 HG3 LYS B 124 5.312 -4.515 9.993 1.00 65.40 H new ATOM 0 HD2 LYS B 124 7.310 -5.900 9.838 1.00 51.20 H new ATOM 0 HD3 LYS B 124 8.319 -4.602 10.446 1.00 51.20 H new ATOM 0 HE2 LYS B 124 7.971 -6.001 12.322 1.00 61.30 H new ATOM 0 HE3 LYS B 124 6.877 -4.656 12.576 1.00 61.30 H new ATOM 0 HZ1 LYS B 124 5.790 -6.762 13.001 1.00 55.10 H new ATOM 0 HZ2 LYS B 124 5.066 -5.995 11.670 1.00 55.10 H new ATOM 0 HZ3 LYS B 124 6.127 -7.298 11.425 1.00 55.10 H new ATOM 1333 N ALA B 125 7.292 -0.316 7.991 1.00 43.50 N ATOM 1334 CA ALA B 125 8.006 0.911 8.325 1.00 75.30 C ATOM 1335 C ALA B 125 7.078 2.119 8.265 1.00 75.20 C ATOM 1336 O ALA B 125 7.265 3.095 8.993 1.00 23.40 O ATOM 1337 CB ALA B 125 9.188 1.104 7.388 1.00 1.40 C ATOM 0 H ALA B 125 7.474 -0.668 7.051 1.00 43.50 H new ATOM 0 HA ALA B 125 8.377 0.821 9.346 1.00 75.30 H new ATOM 0 HB1 ALA B 125 9.712 2.024 7.648 1.00 1.40 H new ATOM 0 HB2 ALA B 125 9.869 0.259 7.483 1.00 1.40 H new ATOM 0 HB3 ALA B 125 8.831 1.169 6.360 1.00 1.40 H new ATOM 1343 N LEU B 126 6.078 2.049 7.392 1.00 1.25 N ATOM 1344 CA LEU B 126 5.121 3.139 7.238 1.00 41.30 C ATOM 1345 C LEU B 126 4.284 3.311 8.501 1.00 23.20 C ATOM 1346 O LEU B 126 3.863 4.419 8.833 1.00 44.20 O ATOM 1347 CB LEU B 126 4.207 2.876 6.039 1.00 44.00 C ATOM 1348 CG LEU B 126 4.718 3.420 4.704 1.00 51.30 C ATOM 1349 CD1 LEU B 126 4.745 4.941 4.722 1.00 34.40 C ATOM 1350 CD2 LEU B 126 6.100 2.864 4.396 1.00 71.00 C ATOM 0 H LEU B 126 5.909 1.250 6.781 1.00 1.25 H new ATOM 0 HA LEU B 126 5.680 4.059 7.066 1.00 41.30 H new ATOM 0 HB2 LEU B 126 4.059 1.800 5.943 1.00 44.00 H new ATOM 0 HB3 LEU B 126 3.230 3.315 6.243 1.00 44.00 H new ATOM 0 HG LEU B 126 4.035 3.099 3.917 1.00 51.30 H new ATOM 0 HD11 LEU B 126 5.111 5.310 3.764 1.00 34.40 H new ATOM 0 HD12 LEU B 126 3.738 5.321 4.896 1.00 34.40 H new ATOM 0 HD13 LEU B 126 5.405 5.284 5.519 1.00 34.40 H new ATOM 0 HD21 LEU B 126 6.448 3.262 3.443 1.00 71.00 H new ATOM 0 HD22 LEU B 126 6.793 3.155 5.185 1.00 71.00 H new ATOM 0 HD23 LEU B 126 6.050 1.777 4.339 1.00 71.00 H new ATOM 1362 N GLY B 127 4.048 2.208 9.205 1.00 45.10 N ATOM 1363 CA GLY B 127 3.263 2.258 10.424 1.00 24.30 C ATOM 1364 C GLY B 127 4.021 1.724 11.623 1.00 63.00 C ATOM 1365 O GLY B 127 3.697 0.656 12.144 1.00 44.20 O ATOM 0 H GLY B 127 4.387 1.280 8.952 1.00 45.10 H new ATOM 0 HA2 GLY B 127 2.962 3.288 10.617 1.00 24.30 H new ATOM 0 HA3 GLY B 127 2.349 1.679 10.288 1.00 24.30 H new ATOM 1369 N VAL B 128 5.031 2.467 12.063 1.00 11.40 N ATOM 1370 CA VAL B 128 5.836 2.061 13.208 1.00 61.30 C ATOM 1371 C VAL B 128 5.457 2.855 14.454 1.00 61.40 C ATOM 1372 O VAL B 128 5.253 4.067 14.391 1.00 2.12 O ATOM 1373 CB VAL B 128 7.342 2.247 12.932 1.00 33.20 C ATOM 1374 CG1 VAL B 128 8.169 1.675 14.073 1.00 4.23 C ATOM 1375 CG2 VAL B 128 7.728 1.604 11.609 1.00 51.20 C ATOM 0 H VAL B 128 5.311 3.354 11.644 1.00 11.40 H new ATOM 0 HA VAL B 128 5.634 1.003 13.378 1.00 61.30 H new ATOM 0 HB VAL B 128 7.550 3.315 12.863 1.00 33.20 H new ATOM 0 HG11 VAL B 128 9.229 1.816 13.860 1.00 4.23 H new ATOM 0 HG12 VAL B 128 7.914 2.188 15.000 1.00 4.23 H new ATOM 0 HG13 VAL B 128 7.958 0.611 14.177 1.00 4.23 H new ATOM 0 HG21 VAL B 128 8.794 1.746 11.433 1.00 51.20 H new ATOM 0 HG22 VAL B 128 7.505 0.538 11.644 1.00 51.20 H new ATOM 0 HG23 VAL B 128 7.162 2.067 10.801 1.00 51.20 H new ATOM 1385 N ASP B 129 5.363 2.163 15.585 1.00 43.20 N ATOM 1386 CA ASP B 129 5.008 2.803 16.845 1.00 52.10 C ATOM 1387 C ASP B 129 5.153 1.830 18.010 1.00 14.10 C ATOM 1388 O ASP B 129 5.848 0.805 17.841 1.00 24.20 O ATOM 1389 CB ASP B 129 3.574 3.333 16.786 1.00 11.30 C ATOM 1390 CG ASP B 129 3.386 4.586 17.619 1.00 74.10 C ATOM 1391 OD1 ASP B 129 3.059 4.458 18.818 1.00 52.30 O ATOM 1392 OD2 ASP B 129 3.567 5.695 17.073 1.00 70.00 O ATOM 1393 OXT ASP B 129 4.573 2.100 19.082 1.00 37.10 O ATOM 0 H ASP B 129 5.528 1.159 15.654 1.00 43.20 H new ATOM 0 HA ASP B 129 5.691 3.637 17.004 1.00 52.10 H new ATOM 0 HB2 ASP B 129 3.311 3.546 15.750 1.00 11.30 H new ATOM 0 HB3 ASP B 129 2.889 2.561 17.137 1.00 11.30 H new TER 1398 ASP B 129