USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 641 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 79 GLN :FLIP amide:sc= -0.219 F(o=-1.1,f=-0.22) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= -0.0189 (180deg=-0.211) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.18) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.4!) USER MOD Single : A 80 ASN : amide:sc= 0.0349 X(o=0.035,f=-0.13) USER MOD Single : A 88 LYS NZ :NH3+ 153:sc= -0.125 (180deg=-0.866) USER MOD Single : A 90 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.57) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -2 K(o=-2,f=-3) USER MOD Single : A 103 LYS NZ :NH3+ -155:sc= -1.4 (180deg=-2.33) USER MOD Single : A 107 SER OG : rot -7:sc= -0.589 USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.113) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 71:sc= 0.868 USER MOD Single : A 119 CYS SG : rot -120:sc= -0.0174 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.0495 X(o=-0.05,f=-0.3) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 5.560 -1.921 5.390 1.00 0.00 N ATOM 2 CA LYS A 60 6.136 -3.256 5.496 1.00 0.00 C ATOM 3 C LYS A 60 6.597 -3.760 4.133 1.00 0.00 C ATOM 4 O LYS A 60 6.330 -4.902 3.761 1.00 0.00 O ATOM 5 CB LYS A 60 5.115 -4.228 6.093 1.00 0.00 C ATOM 6 CG LYS A 60 4.451 -3.712 7.357 1.00 0.00 C ATOM 7 CD LYS A 60 3.635 -4.796 8.041 1.00 0.00 C ATOM 8 CE LYS A 60 4.482 -5.603 9.012 1.00 0.00 C ATOM 9 NZ LYS A 60 4.840 -4.815 10.224 1.00 0.00 N ATOM 0 HA LYS A 60 7.003 -3.199 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.347 -4.437 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.611 -5.173 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.212 -3.341 8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.805 -2.869 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.800 -4.342 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.209 -5.461 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.938 -6.500 9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.392 -5.933 8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.142 -5.461 10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.616 -4.161 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.012 -4.272 10.542 1.00 0.00 H new ATOM 23 N GLU A 61 7.292 -2.901 3.393 1.00 0.00 N ATOM 24 CA GLU A 61 7.791 -3.262 2.071 1.00 0.00 C ATOM 25 C GLU A 61 8.578 -4.568 2.124 1.00 0.00 C ATOM 26 O GLU A 61 8.979 -5.022 3.196 1.00 0.00 O ATOM 27 CB GLU A 61 8.673 -2.144 1.512 1.00 0.00 C ATOM 28 CG GLU A 61 9.850 -1.793 2.406 1.00 0.00 C ATOM 29 CD GLU A 61 9.520 -0.699 3.403 1.00 0.00 C ATOM 30 OE1 GLU A 61 8.350 -0.265 3.443 1.00 0.00 O ATOM 31 OE2 GLU A 61 10.434 -0.276 4.142 1.00 0.00 O ATOM 0 H GLU A 61 7.522 -1.952 3.686 1.00 0.00 H new ATOM 0 HA GLU A 61 6.933 -3.402 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.048 -2.443 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.064 -1.253 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.171 -2.685 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.689 -1.474 1.787 1.00 0.00 H new ATOM 38 N THR A 62 8.797 -5.168 0.958 1.00 0.00 N ATOM 39 CA THR A 62 9.535 -6.422 0.870 1.00 0.00 C ATOM 40 C THR A 62 10.972 -6.184 0.423 1.00 0.00 C ATOM 41 O THR A 62 11.841 -7.035 0.612 1.00 0.00 O ATOM 42 CB THR A 62 8.861 -7.403 -0.107 1.00 0.00 C ATOM 43 OG1 THR A 62 7.436 -7.305 0.005 1.00 0.00 O ATOM 44 CG2 THR A 62 9.300 -8.832 0.172 1.00 0.00 C ATOM 0 H THR A 62 8.474 -4.805 0.061 1.00 0.00 H new ATOM 0 HA THR A 62 9.536 -6.859 1.869 1.00 0.00 H new ATOM 0 HB THR A 62 9.164 -7.138 -1.120 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.015 -7.931 -0.621 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.811 -9.507 -0.531 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.381 -8.910 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.023 -9.105 1.190 1.00 0.00 H new ATOM 52 N VAL A 63 11.217 -5.020 -0.172 1.00 0.00 N ATOM 53 CA VAL A 63 12.551 -4.669 -0.645 1.00 0.00 C ATOM 54 C VAL A 63 13.101 -3.462 0.106 1.00 0.00 C ATOM 55 O VAL A 63 12.356 -2.644 0.647 1.00 0.00 O ATOM 56 CB VAL A 63 12.549 -4.364 -2.155 1.00 0.00 C ATOM 57 CG1 VAL A 63 12.490 -5.653 -2.961 1.00 0.00 C ATOM 58 CG2 VAL A 63 11.387 -3.449 -2.511 1.00 0.00 C ATOM 0 H VAL A 63 10.509 -4.305 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 63 13.190 -5.532 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 63 13.477 -3.850 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.489 -5.417 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 63 13.358 -6.269 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.580 -6.198 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 63 11.400 -3.244 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.448 -3.934 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.479 -2.513 -1.961 1.00 0.00 H new ATOM 68 N PRO A 64 14.437 -3.345 0.141 1.00 0.00 N ATOM 69 CA PRO A 64 15.116 -2.239 0.823 1.00 0.00 C ATOM 70 C PRO A 64 14.921 -0.908 0.105 1.00 0.00 C ATOM 71 O PRO A 64 14.121 -0.805 -0.825 1.00 0.00 O ATOM 72 CB PRO A 64 16.590 -2.654 0.789 1.00 0.00 C ATOM 73 CG PRO A 64 16.701 -3.559 -0.389 1.00 0.00 C ATOM 74 CD PRO A 64 15.386 -4.283 -0.481 1.00 0.00 C ATOM 0 HA PRO A 64 14.726 -2.079 1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.243 -1.787 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.879 -3.163 1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.899 -2.992 -1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.525 -4.261 -0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.118 -4.500 -1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.414 -5.236 0.047 1.00 0.00 H new ATOM 82 N TYR A 65 15.657 0.108 0.542 1.00 0.00 N ATOM 83 CA TYR A 65 15.562 1.433 -0.057 1.00 0.00 C ATOM 84 C TYR A 65 16.690 1.659 -1.060 1.00 0.00 C ATOM 85 O TYR A 65 16.580 2.497 -1.955 1.00 0.00 O ATOM 86 CB TYR A 65 15.605 2.511 1.027 1.00 0.00 C ATOM 87 CG TYR A 65 14.269 2.758 1.689 1.00 0.00 C ATOM 88 CD1 TYR A 65 13.313 3.569 1.089 1.00 0.00 C ATOM 89 CD2 TYR A 65 13.961 2.180 2.915 1.00 0.00 C ATOM 90 CE1 TYR A 65 12.091 3.797 1.691 1.00 0.00 C ATOM 91 CE2 TYR A 65 12.741 2.402 3.523 1.00 0.00 C ATOM 92 CZ TYR A 65 11.809 3.212 2.907 1.00 0.00 C ATOM 93 OH TYR A 65 10.593 3.436 3.510 1.00 0.00 O ATOM 0 H TYR A 65 16.326 0.039 1.309 1.00 0.00 H new ATOM 0 HA TYR A 65 14.611 1.497 -0.586 1.00 0.00 H new ATOM 0 HB2 TYR A 65 16.330 2.221 1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.961 3.443 0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 65 13.529 4.029 0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 65 14.688 1.546 3.401 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.360 4.431 1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 65 12.518 1.944 4.475 1.00 0.00 H new ATOM 0 HH TYR A 65 10.555 2.950 4.360 1.00 0.00 H new ATOM 103 N GLN A 66 17.773 0.905 -0.902 1.00 0.00 N ATOM 104 CA GLN A 66 18.921 1.023 -1.793 1.00 0.00 C ATOM 105 C GLN A 66 18.717 0.194 -3.057 1.00 0.00 C ATOM 106 O GLN A 66 19.314 0.474 -4.097 1.00 0.00 O ATOM 107 CB GLN A 66 20.197 0.575 -1.076 1.00 0.00 C ATOM 108 CG GLN A 66 21.394 0.427 -2.001 1.00 0.00 C ATOM 109 CD GLN A 66 22.654 0.018 -1.264 1.00 0.00 C ATOM 110 OE1 GLN A 66 22.626 -0.864 -0.406 1.00 0.00 O ATOM 111 NE2 GLN A 66 23.769 0.658 -1.596 1.00 0.00 N ATOM 0 H GLN A 66 17.879 0.207 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 66 19.021 2.070 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 66 20.438 1.297 -0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 66 20.010 -0.378 -0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 66 21.168 -0.316 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 66 21.569 1.371 -2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 66 23.747 1.383 -2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 66 24.648 0.425 -1.134 1.00 0.00 H new ATOM 120 N ILE A 67 17.870 -0.825 -2.960 1.00 0.00 N ATOM 121 CA ILE A 67 17.587 -1.693 -4.096 1.00 0.00 C ATOM 122 C ILE A 67 16.101 -1.682 -4.439 1.00 0.00 C ATOM 123 O ILE A 67 15.252 -2.089 -3.646 1.00 0.00 O ATOM 124 CB ILE A 67 18.028 -3.143 -3.820 1.00 0.00 C ATOM 125 CG1 ILE A 67 19.429 -3.165 -3.206 1.00 0.00 C ATOM 126 CG2 ILE A 67 17.993 -3.960 -5.103 1.00 0.00 C ATOM 127 CD1 ILE A 67 20.494 -2.585 -4.110 1.00 0.00 C ATOM 0 H ILE A 67 17.368 -1.070 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 67 18.155 -1.303 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 67 17.333 -3.590 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 67 19.415 -2.607 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 67 19.693 -4.194 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 67 18.307 -4.982 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.979 -3.967 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 67 18.668 -3.517 -5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 67 21.461 -2.633 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 67 20.536 -3.157 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 67 20.254 -1.546 -4.335 1.00 0.00 H new ATOM 139 N PRO A 68 15.778 -1.207 -5.651 1.00 0.00 N ATOM 140 CA PRO A 68 16.780 -0.719 -6.604 1.00 0.00 C ATOM 141 C PRO A 68 17.420 0.590 -6.153 1.00 0.00 C ATOM 142 O PRO A 68 17.009 1.181 -5.154 1.00 0.00 O ATOM 143 CB PRO A 68 15.975 -0.506 -7.888 1.00 0.00 C ATOM 144 CG PRO A 68 14.578 -0.275 -7.425 1.00 0.00 C ATOM 145 CD PRO A 68 14.409 -1.108 -6.185 1.00 0.00 C ATOM 0 HA PRO A 68 17.610 -1.417 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 68 16.351 0.346 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.037 -1.375 -8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.407 0.780 -7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.860 -0.566 -8.191 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.733 -0.635 -5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.995 -2.090 -6.414 1.00 0.00 H new ATOM 153 N TYR A 69 18.426 1.037 -6.896 1.00 0.00 N ATOM 154 CA TYR A 69 19.124 2.276 -6.571 1.00 0.00 C ATOM 155 C TYR A 69 18.880 3.335 -7.641 1.00 0.00 C ATOM 156 O TYR A 69 18.983 3.062 -8.838 1.00 0.00 O ATOM 157 CB TYR A 69 20.624 2.017 -6.425 1.00 0.00 C ATOM 158 CG TYR A 69 21.198 1.147 -7.521 1.00 0.00 C ATOM 159 CD1 TYR A 69 21.548 1.687 -8.752 1.00 0.00 C ATOM 160 CD2 TYR A 69 21.390 -0.215 -7.324 1.00 0.00 C ATOM 161 CE1 TYR A 69 22.071 0.895 -9.756 1.00 0.00 C ATOM 162 CE2 TYR A 69 21.915 -1.014 -8.321 1.00 0.00 C ATOM 163 CZ TYR A 69 22.253 -0.454 -9.536 1.00 0.00 C ATOM 164 OH TYR A 69 22.776 -1.246 -10.533 1.00 0.00 O ATOM 0 H TYR A 69 18.777 0.561 -7.727 1.00 0.00 H new ATOM 0 HA TYR A 69 18.733 2.647 -5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 69 21.150 2.972 -6.418 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.810 1.543 -5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.409 2.744 -8.927 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.124 -0.657 -6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.336 1.330 -10.708 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.060 -2.071 -8.151 1.00 0.00 H new ATOM 0 HH TYR A 69 22.841 -2.171 -10.216 1.00 0.00 H new ATOM 174 N THR A 70 18.556 4.547 -7.202 1.00 0.00 N ATOM 175 CA THR A 70 18.296 5.649 -8.120 1.00 0.00 C ATOM 176 C THR A 70 19.462 6.632 -8.143 1.00 0.00 C ATOM 177 O THR A 70 20.213 6.763 -7.177 1.00 0.00 O ATOM 178 CB THR A 70 17.009 6.405 -7.741 1.00 0.00 C ATOM 179 OG1 THR A 70 16.579 6.015 -6.433 1.00 0.00 O ATOM 180 CG2 THR A 70 15.903 6.129 -8.748 1.00 0.00 C ATOM 0 H THR A 70 18.467 4.790 -6.215 1.00 0.00 H new ATOM 0 HA THR A 70 18.173 5.212 -9.111 1.00 0.00 H new ATOM 0 HB THR A 70 17.226 7.473 -7.748 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.761 6.502 -6.199 1.00 0.00 H new ATOM 0 HG21 THR A 70 15.004 6.674 -8.459 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.223 6.455 -9.738 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.689 5.060 -8.769 1.00 0.00 H new ATOM 188 N PRO A 71 19.617 7.340 -9.271 1.00 0.00 N ATOM 189 CA PRO A 71 20.689 8.325 -9.446 1.00 0.00 C ATOM 190 C PRO A 71 20.485 9.563 -8.581 1.00 0.00 C ATOM 191 O PRO A 71 21.442 10.123 -8.045 1.00 0.00 O ATOM 192 CB PRO A 71 20.598 8.688 -10.930 1.00 0.00 C ATOM 193 CG PRO A 71 19.183 8.407 -11.303 1.00 0.00 C ATOM 194 CD PRO A 71 18.759 7.234 -10.463 1.00 0.00 C ATOM 0 HA PRO A 71 21.660 7.928 -9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.851 9.735 -11.098 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.290 8.093 -11.526 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.550 9.273 -11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 71 19.097 8.178 -12.365 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.702 7.287 -10.203 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.912 6.290 -10.985 1.00 0.00 H new ATOM 202 N SER A 72 19.232 9.987 -8.448 1.00 0.00 N ATOM 203 CA SER A 72 18.904 11.162 -7.650 1.00 0.00 C ATOM 204 C SER A 72 19.471 11.037 -6.239 1.00 0.00 C ATOM 205 O SER A 72 20.015 11.994 -5.691 1.00 0.00 O ATOM 206 CB SER A 72 17.387 11.354 -7.587 1.00 0.00 C ATOM 207 OG SER A 72 17.035 12.314 -6.606 1.00 0.00 O ATOM 0 H SER A 72 18.428 9.534 -8.883 1.00 0.00 H new ATOM 0 HA SER A 72 19.354 12.032 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.017 11.673 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.906 10.403 -7.359 1.00 0.00 H new ATOM 0 HG SER A 72 16.061 12.420 -6.586 1.00 0.00 H new ATOM 213 N GLU A 73 19.337 9.849 -5.658 1.00 0.00 N ATOM 214 CA GLU A 73 19.835 9.598 -4.310 1.00 0.00 C ATOM 215 C GLU A 73 21.353 9.750 -4.254 1.00 0.00 C ATOM 216 O GLU A 73 21.885 10.469 -3.406 1.00 0.00 O ATOM 217 CB GLU A 73 19.435 8.195 -3.848 1.00 0.00 C ATOM 218 CG GLU A 73 17.985 7.849 -4.139 1.00 0.00 C ATOM 219 CD GLU A 73 17.022 8.913 -3.650 1.00 0.00 C ATOM 220 OE1 GLU A 73 17.309 9.539 -2.608 1.00 0.00 O ATOM 221 OE2 GLU A 73 15.981 9.119 -4.309 1.00 0.00 O ATOM 0 H GLU A 73 18.888 9.046 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 73 19.388 10.334 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.079 7.464 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.612 8.111 -2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.856 7.714 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.740 6.898 -3.666 1.00 0.00 H new ATOM 228 N LEU A 74 22.044 9.070 -5.162 1.00 0.00 N ATOM 229 CA LEU A 74 23.501 9.129 -5.216 1.00 0.00 C ATOM 230 C LEU A 74 23.980 10.558 -5.447 1.00 0.00 C ATOM 231 O LEU A 74 24.824 11.066 -4.710 1.00 0.00 O ATOM 232 CB LEU A 74 24.026 8.217 -6.326 1.00 0.00 C ATOM 233 CG LEU A 74 23.599 6.751 -6.249 1.00 0.00 C ATOM 234 CD1 LEU A 74 24.336 5.924 -7.291 1.00 0.00 C ATOM 235 CD2 LEU A 74 23.846 6.196 -4.854 1.00 0.00 C ATOM 0 H LEU A 74 21.620 8.472 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 74 23.890 8.786 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.699 8.620 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 74 25.115 8.258 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 74 22.531 6.693 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 74 24.019 4.884 -7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 74 24.109 6.306 -8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 74 25.410 5.989 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.536 5.152 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 74 24.907 6.268 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.272 6.770 -4.127 1.00 0.00 H new ATOM 247 N GLU A 75 23.433 11.201 -6.474 1.00 0.00 N ATOM 248 CA GLU A 75 23.804 12.573 -6.801 1.00 0.00 C ATOM 249 C GLU A 75 23.499 13.511 -5.637 1.00 0.00 C ATOM 250 O GLU A 75 24.287 14.401 -5.321 1.00 0.00 O ATOM 251 CB GLU A 75 23.064 13.041 -8.055 1.00 0.00 C ATOM 252 CG GLU A 75 23.344 12.188 -9.281 1.00 0.00 C ATOM 253 CD GLU A 75 24.603 12.612 -10.012 1.00 0.00 C ATOM 254 OE1 GLU A 75 24.606 13.713 -10.600 1.00 0.00 O ATOM 255 OE2 GLU A 75 25.586 11.842 -9.994 1.00 0.00 O ATOM 0 H GLU A 75 22.732 10.794 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 75 24.877 12.596 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.992 13.037 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.345 14.072 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.437 11.145 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.495 12.248 -9.962 1.00 0.00 H new ATOM 262 N GLU A 76 22.348 13.304 -5.004 1.00 0.00 N ATOM 263 CA GLU A 76 21.937 14.133 -3.877 1.00 0.00 C ATOM 264 C GLU A 76 22.848 13.903 -2.673 1.00 0.00 C ATOM 265 O GLU A 76 23.152 14.833 -1.925 1.00 0.00 O ATOM 266 CB GLU A 76 20.486 13.832 -3.496 1.00 0.00 C ATOM 267 CG GLU A 76 20.021 14.560 -2.246 1.00 0.00 C ATOM 268 CD GLU A 76 18.510 14.633 -2.141 1.00 0.00 C ATOM 269 OE1 GLU A 76 17.877 15.167 -3.075 1.00 0.00 O ATOM 270 OE2 GLU A 76 17.962 14.157 -1.125 1.00 0.00 O ATOM 0 H GLU A 76 21.685 12.570 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 76 22.017 15.177 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.837 14.105 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.374 12.758 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.418 14.054 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.431 15.570 -2.245 1.00 0.00 H new ATOM 277 N LEU A 77 23.279 12.660 -2.494 1.00 0.00 N ATOM 278 CA LEU A 77 24.154 12.307 -1.381 1.00 0.00 C ATOM 279 C LEU A 77 25.511 12.990 -1.518 1.00 0.00 C ATOM 280 O LEU A 77 25.968 13.670 -0.600 1.00 0.00 O ATOM 281 CB LEU A 77 24.339 10.790 -1.314 1.00 0.00 C ATOM 282 CG LEU A 77 24.448 10.189 0.088 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.657 10.753 0.818 1.00 0.00 C ATOM 284 CD2 LEU A 77 23.175 10.448 0.880 1.00 0.00 C ATOM 0 H LEU A 77 23.037 11.880 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 77 23.686 12.651 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.500 10.319 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.239 10.529 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 77 24.578 9.111 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.718 10.314 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.563 10.515 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.558 11.835 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.271 10.013 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 77 23.013 11.522 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.328 9.994 0.366 1.00 0.00 H new ATOM 296 N GLN A 78 26.147 12.806 -2.670 1.00 0.00 N ATOM 297 CA GLN A 78 27.451 13.406 -2.926 1.00 0.00 C ATOM 298 C GLN A 78 27.378 14.927 -2.832 1.00 0.00 C ATOM 299 O GLN A 78 28.251 15.563 -2.241 1.00 0.00 O ATOM 300 CB GLN A 78 27.963 12.993 -4.307 1.00 0.00 C ATOM 301 CG GLN A 78 27.014 13.350 -5.440 1.00 0.00 C ATOM 302 CD GLN A 78 27.491 12.836 -6.784 1.00 0.00 C ATOM 303 OE1 GLN A 78 26.960 11.858 -7.312 1.00 0.00 O ATOM 304 NE2 GLN A 78 28.497 13.495 -7.347 1.00 0.00 N ATOM 0 H GLN A 78 25.781 12.247 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 78 28.145 13.046 -2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.926 13.472 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.136 11.917 -4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.028 12.937 -5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.903 14.433 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 78 28.907 14.300 -6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 78 28.859 13.196 -8.252 1.00 0.00 H new ATOM 313 N GLN A 79 26.333 15.502 -3.417 1.00 0.00 N ATOM 314 CA GLN A 79 26.148 16.948 -3.399 1.00 0.00 C ATOM 315 C GLN A 79 26.046 17.466 -1.968 1.00 0.00 C ATOM 316 O GLN A 79 26.653 18.477 -1.620 1.00 0.00 O ATOM 317 CB GLN A 79 24.892 17.332 -4.184 1.00 0.00 C ATOM 318 CG GLN A 79 25.138 17.517 -5.673 1.00 0.00 C ATOM 319 CD GLN A 79 25.954 18.757 -5.980 1.00 0.00 C ATOM 320 OE1 GLN A 79 27.259 18.580 -6.148 1.00 0.00 O flip ATOM 321 NE2 GLN A 79 25.417 19.862 -6.066 1.00 0.00 N flip ATOM 0 H GLN A 79 25.602 14.989 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 79 27.017 17.406 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.135 16.561 -4.042 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.486 18.256 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.655 16.641 -6.064 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.181 17.579 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.410 19.952 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 79 25.979 20.687 -6.274 1.00 0.00 H new ATOM 330 N ASN A 80 25.274 16.765 -1.144 1.00 0.00 N ATOM 331 CA ASN A 80 25.092 17.155 0.249 1.00 0.00 C ATOM 332 C ASN A 80 26.397 17.016 1.028 1.00 0.00 C ATOM 333 O ASN A 80 26.656 17.772 1.965 1.00 0.00 O ATOM 334 CB ASN A 80 24.002 16.302 0.901 1.00 0.00 C ATOM 335 CG ASN A 80 22.620 16.904 0.735 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.390 18.063 1.079 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.692 16.115 0.205 1.00 0.00 N ATOM 0 H ASN A 80 24.765 15.924 -1.417 1.00 0.00 H new ATOM 0 HA ASN A 80 24.787 18.201 0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 80 24.015 15.304 0.464 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.220 16.188 1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.743 16.464 0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.928 15.160 -0.066 1.00 0.00 H new ATOM 344 N ILE A 81 27.214 16.045 0.634 1.00 0.00 N ATOM 345 CA ILE A 81 28.492 15.808 1.293 1.00 0.00 C ATOM 346 C ILE A 81 29.442 16.983 1.089 1.00 0.00 C ATOM 347 O ILE A 81 29.944 17.565 2.051 1.00 0.00 O ATOM 348 CB ILE A 81 29.163 14.523 0.774 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.347 13.295 1.181 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.586 14.418 1.302 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.475 12.137 0.216 1.00 0.00 C ATOM 0 H ILE A 81 27.013 15.410 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 81 28.282 15.694 2.357 1.00 0.00 H new ATOM 0 HB ILE A 81 29.202 14.566 -0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.666 12.969 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.297 13.577 1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 81 31.047 13.504 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.163 15.280 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.569 14.394 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 81 27.870 11.301 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.129 12.445 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.519 11.828 0.154 1.00 0.00 H new ATOM 363 N LYS A 82 29.685 17.329 -0.171 1.00 0.00 N ATOM 364 CA LYS A 82 30.572 18.436 -0.504 1.00 0.00 C ATOM 365 C LYS A 82 29.954 19.770 -0.097 1.00 0.00 C ATOM 366 O LYS A 82 30.663 20.754 0.119 1.00 0.00 O ATOM 367 CB LYS A 82 30.877 18.440 -2.003 1.00 0.00 C ATOM 368 CG LYS A 82 29.638 18.343 -2.876 1.00 0.00 C ATOM 369 CD LYS A 82 29.802 17.294 -3.963 1.00 0.00 C ATOM 370 CE LYS A 82 30.204 17.923 -5.288 1.00 0.00 C ATOM 371 NZ LYS A 82 30.018 16.982 -6.428 1.00 0.00 N ATOM 0 H LYS A 82 29.279 16.857 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 82 31.502 18.302 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.417 19.353 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.539 17.605 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 82 28.775 18.096 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.436 19.312 -3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 82 30.557 16.569 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 82 28.867 16.748 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 82 29.611 18.821 -5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.248 18.234 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 30.303 17.448 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 30.603 16.135 -6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 29.018 16.705 -6.489 1.00 0.00 H new ATOM 385 N LEU A 83 28.630 19.796 0.009 1.00 0.00 N ATOM 386 CA LEU A 83 27.917 21.009 0.392 1.00 0.00 C ATOM 387 C LEU A 83 27.906 21.178 1.908 1.00 0.00 C ATOM 388 O LEU A 83 27.833 22.297 2.416 1.00 0.00 O ATOM 389 CB LEU A 83 26.483 20.970 -0.138 1.00 0.00 C ATOM 390 CG LEU A 83 26.302 21.336 -1.612 1.00 0.00 C ATOM 391 CD1 LEU A 83 24.895 20.995 -2.078 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.597 22.812 -1.835 1.00 0.00 C ATOM 0 H LEU A 83 28.029 18.991 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 83 28.437 21.861 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.086 19.967 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 83 25.877 21.649 0.461 1.00 0.00 H new ATOM 0 HG LEU A 83 27.009 20.752 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.785 21.262 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.720 19.926 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.170 21.552 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.463 23.055 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.915 23.414 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.625 23.026 -1.541 1.00 0.00 H new ATOM 404 N GLU A 84 27.981 20.061 2.624 1.00 0.00 N ATOM 405 CA GLU A 84 27.981 20.087 4.082 1.00 0.00 C ATOM 406 C GLU A 84 29.374 19.796 4.631 1.00 0.00 C ATOM 407 O GLU A 84 30.076 20.700 5.086 1.00 0.00 O ATOM 408 CB GLU A 84 26.981 19.068 4.632 1.00 0.00 C ATOM 409 CG GLU A 84 25.530 19.435 4.369 1.00 0.00 C ATOM 410 CD GLU A 84 24.583 18.846 5.396 1.00 0.00 C ATOM 411 OE1 GLU A 84 24.659 19.253 6.574 1.00 0.00 O ATOM 412 OE2 GLU A 84 23.767 17.977 5.022 1.00 0.00 O ATOM 0 H GLU A 84 28.043 19.127 2.219 1.00 0.00 H new ATOM 0 HA GLU A 84 27.684 21.086 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.187 18.094 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.132 18.967 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.428 20.520 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.245 19.087 3.376 1.00 0.00 H new ATOM 419 N LEU A 85 29.769 18.528 4.586 1.00 0.00 N ATOM 420 CA LEU A 85 31.078 18.116 5.079 1.00 0.00 C ATOM 421 C LEU A 85 32.185 18.961 4.456 1.00 0.00 C ATOM 422 O LEU A 85 31.939 19.744 3.540 1.00 0.00 O ATOM 423 CB LEU A 85 31.318 16.636 4.774 1.00 0.00 C ATOM 424 CG LEU A 85 30.625 15.639 5.703 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.979 15.926 7.154 1.00 0.00 C ATOM 426 CD2 LEU A 85 29.117 15.680 5.501 1.00 0.00 C ATOM 0 H LEU A 85 29.201 17.768 4.213 1.00 0.00 H new ATOM 0 HA LEU A 85 31.095 18.265 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.991 16.438 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.391 16.448 4.807 1.00 0.00 H new ATOM 0 HG LEU A 85 30.977 14.637 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.477 15.206 7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 85 32.058 15.843 7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.657 16.934 7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.641 14.964 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.748 16.682 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.881 15.423 4.468 1.00 0.00 H new ATOM 438 N GLU A 86 33.404 18.793 4.959 1.00 0.00 N ATOM 439 CA GLU A 86 34.549 19.540 4.451 1.00 0.00 C ATOM 440 C GLU A 86 35.848 19.037 5.074 1.00 0.00 C ATOM 441 O GLU A 86 35.832 18.220 5.994 1.00 0.00 O ATOM 442 CB GLU A 86 34.379 21.034 4.736 1.00 0.00 C ATOM 443 CG GLU A 86 34.264 21.362 6.215 1.00 0.00 C ATOM 444 CD GLU A 86 34.059 22.843 6.470 1.00 0.00 C ATOM 445 OE1 GLU A 86 34.312 23.644 5.546 1.00 0.00 O ATOM 446 OE2 GLU A 86 33.646 23.200 7.593 1.00 0.00 O ATOM 0 H GLU A 86 33.624 18.147 5.717 1.00 0.00 H new ATOM 0 HA GLU A 86 34.600 19.386 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 86 35.228 21.574 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.488 21.394 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 86 33.431 20.805 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 86 35.167 21.030 6.728 1.00 0.00 H new ATOM 453 N GLY A 87 36.972 19.532 4.566 1.00 0.00 N ATOM 454 CA GLY A 87 38.264 19.121 5.084 1.00 0.00 C ATOM 455 C GLY A 87 38.502 17.631 4.934 1.00 0.00 C ATOM 456 O GLY A 87 38.505 17.104 3.821 1.00 0.00 O ATOM 0 H GLY A 87 37.011 20.210 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 87 39.051 19.666 4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.333 19.392 6.137 1.00 0.00 H new ATOM 460 N LYS A 88 38.703 16.950 6.057 1.00 0.00 N ATOM 461 CA LYS A 88 38.943 15.512 6.047 1.00 0.00 C ATOM 462 C LYS A 88 37.670 14.745 6.390 1.00 0.00 C ATOM 463 O LYS A 88 37.680 13.859 7.243 1.00 0.00 O ATOM 464 CB LYS A 88 40.051 15.152 7.040 1.00 0.00 C ATOM 465 CG LYS A 88 40.992 14.072 6.537 1.00 0.00 C ATOM 466 CD LYS A 88 40.520 12.687 6.945 1.00 0.00 C ATOM 467 CE LYS A 88 41.674 11.697 6.995 1.00 0.00 C ATOM 468 NZ LYS A 88 42.699 12.091 8.001 1.00 0.00 N ATOM 0 H LYS A 88 38.704 17.371 6.986 1.00 0.00 H new ATOM 0 HA LYS A 88 39.257 15.229 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.629 16.048 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.597 14.820 7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 88 41.064 14.128 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 88 41.993 14.247 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 88 40.041 12.738 7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 88 39.768 12.335 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 88 41.291 10.705 7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 88 42.138 11.630 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 43.196 11.243 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 43.383 12.741 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 42.235 12.565 8.802 1.00 0.00 H new ATOM 482 N GLU A 89 36.576 15.092 5.718 1.00 0.00 N ATOM 483 CA GLU A 89 35.296 14.435 5.952 1.00 0.00 C ATOM 484 C GLU A 89 34.551 14.212 4.640 1.00 0.00 C ATOM 485 O GLU A 89 34.182 13.086 4.308 1.00 0.00 O ATOM 486 CB GLU A 89 34.436 15.269 6.904 1.00 0.00 C ATOM 487 CG GLU A 89 34.953 15.288 8.333 1.00 0.00 C ATOM 488 CD GLU A 89 34.278 16.347 9.184 1.00 0.00 C ATOM 489 OE1 GLU A 89 34.294 17.529 8.783 1.00 0.00 O ATOM 490 OE2 GLU A 89 33.735 15.992 10.251 1.00 0.00 O ATOM 0 H GLU A 89 36.551 15.824 5.008 1.00 0.00 H new ATOM 0 HA GLU A 89 35.493 13.464 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 89 34.384 16.292 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.419 14.877 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 89 34.795 14.309 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 89 36.028 15.466 8.324 1.00 0.00 H new ATOM 497 N GLN A 90 34.332 15.293 3.899 1.00 0.00 N ATOM 498 CA GLN A 90 33.630 15.216 2.623 1.00 0.00 C ATOM 499 C GLN A 90 34.418 14.383 1.617 1.00 0.00 C ATOM 500 O GLN A 90 33.839 13.732 0.749 1.00 0.00 O ATOM 501 CB GLN A 90 33.389 16.619 2.064 1.00 0.00 C ATOM 502 CG GLN A 90 34.666 17.350 1.683 1.00 0.00 C ATOM 503 CD GLN A 90 34.403 18.588 0.848 1.00 0.00 C ATOM 504 OE1 GLN A 90 35.086 18.837 -0.146 1.00 0.00 O ATOM 505 NE2 GLN A 90 33.409 19.372 1.249 1.00 0.00 N ATOM 0 H GLN A 90 34.630 16.233 4.160 1.00 0.00 H new ATOM 0 HA GLN A 90 32.669 14.731 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 90 32.747 16.546 1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.850 17.209 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.201 17.634 2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.316 16.673 1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 90 32.869 19.127 2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 90 33.185 20.219 0.727 1.00 0.00 H new ATOM 514 N GLU A 91 35.741 14.410 1.742 1.00 0.00 N ATOM 515 CA GLU A 91 36.608 13.658 0.842 1.00 0.00 C ATOM 516 C GLU A 91 36.337 12.160 0.952 1.00 0.00 C ATOM 517 O GLU A 91 36.235 11.460 -0.057 1.00 0.00 O ATOM 518 CB GLU A 91 38.078 13.946 1.154 1.00 0.00 C ATOM 519 CG GLU A 91 38.454 13.689 2.604 1.00 0.00 C ATOM 520 CD GLU A 91 39.873 14.118 2.924 1.00 0.00 C ATOM 521 OE1 GLU A 91 40.187 15.312 2.739 1.00 0.00 O ATOM 522 OE2 GLU A 91 40.668 13.259 3.359 1.00 0.00 O ATOM 0 H GLU A 91 36.236 14.944 2.457 1.00 0.00 H new ATOM 0 HA GLU A 91 36.392 13.975 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.705 13.329 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.296 14.986 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 91 37.762 14.223 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 91 38.342 12.627 2.822 1.00 0.00 H new ATOM 529 N LEU A 92 36.224 11.674 2.183 1.00 0.00 N ATOM 530 CA LEU A 92 35.965 10.259 2.427 1.00 0.00 C ATOM 531 C LEU A 92 34.603 9.851 1.875 1.00 0.00 C ATOM 532 O LEU A 92 34.496 8.905 1.095 1.00 0.00 O ATOM 533 CB LEU A 92 36.032 9.959 3.925 1.00 0.00 C ATOM 534 CG LEU A 92 37.283 10.450 4.653 1.00 0.00 C ATOM 535 CD1 LEU A 92 37.216 10.094 6.130 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.535 9.863 4.018 1.00 0.00 C ATOM 0 H LEU A 92 36.308 12.239 3.028 1.00 0.00 H new ATOM 0 HA LEU A 92 36.732 9.681 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.160 10.404 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 92 35.956 8.880 4.063 1.00 0.00 H new ATOM 0 HG LEU A 92 37.329 11.535 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 92 38.115 10.452 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 92 36.340 10.563 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 92 37.145 9.012 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.416 10.224 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.496 8.775 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 92 38.591 10.169 2.973 1.00 0.00 H new ATOM 548 N ALA A 93 33.565 10.574 2.282 1.00 0.00 N ATOM 549 CA ALA A 93 32.210 10.290 1.825 1.00 0.00 C ATOM 550 C ALA A 93 32.135 10.280 0.302 1.00 0.00 C ATOM 551 O ALA A 93 31.686 9.305 -0.301 1.00 0.00 O ATOM 552 CB ALA A 93 31.236 11.308 2.398 1.00 0.00 C ATOM 0 H ALA A 93 33.636 11.361 2.927 1.00 0.00 H new ATOM 0 HA ALA A 93 31.933 9.298 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.228 11.084 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.261 11.263 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.520 12.308 2.070 1.00 0.00 H new ATOM 558 N LEU A 94 32.577 11.371 -0.314 1.00 0.00 N ATOM 559 CA LEU A 94 32.560 11.489 -1.768 1.00 0.00 C ATOM 560 C LEU A 94 33.447 10.428 -2.411 1.00 0.00 C ATOM 561 O LEU A 94 33.137 9.914 -3.485 1.00 0.00 O ATOM 562 CB LEU A 94 33.024 12.884 -2.191 1.00 0.00 C ATOM 563 CG LEU A 94 31.934 13.951 -2.293 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.442 15.284 -1.766 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.457 14.092 -3.731 1.00 0.00 C ATOM 0 H LEU A 94 32.952 12.187 0.171 1.00 0.00 H new ATOM 0 HA LEU A 94 31.536 11.334 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.775 13.227 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.517 12.803 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 94 31.089 13.638 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.653 16.032 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 94 32.734 15.175 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.304 15.602 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.681 14.856 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 94 32.295 14.381 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 94 31.053 13.140 -4.075 1.00 0.00 H new ATOM 577 N GLU A 95 34.551 10.104 -1.744 1.00 0.00 N ATOM 578 CA GLU A 95 35.482 9.103 -2.251 1.00 0.00 C ATOM 579 C GLU A 95 34.767 7.782 -2.522 1.00 0.00 C ATOM 580 O GLU A 95 34.761 7.287 -3.650 1.00 0.00 O ATOM 581 CB GLU A 95 36.622 8.883 -1.254 1.00 0.00 C ATOM 582 CG GLU A 95 37.887 9.651 -1.597 1.00 0.00 C ATOM 583 CD GLU A 95 38.837 9.765 -0.420 1.00 0.00 C ATOM 584 OE1 GLU A 95 39.146 8.725 0.197 1.00 0.00 O ATOM 585 OE2 GLU A 95 39.272 10.896 -0.117 1.00 0.00 O ATOM 0 H GLU A 95 34.822 10.520 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 95 35.896 9.472 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 95 36.286 9.178 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.854 7.819 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 95 38.396 9.155 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 95 37.619 10.650 -1.941 1.00 0.00 H new ATOM 592 N LEU A 96 34.166 7.218 -1.481 1.00 0.00 N ATOM 593 CA LEU A 96 33.447 5.954 -1.605 1.00 0.00 C ATOM 594 C LEU A 96 32.279 6.085 -2.577 1.00 0.00 C ATOM 595 O LEU A 96 32.060 5.217 -3.423 1.00 0.00 O ATOM 596 CB LEU A 96 32.939 5.497 -0.237 1.00 0.00 C ATOM 597 CG LEU A 96 32.129 4.201 -0.220 1.00 0.00 C ATOM 598 CD1 LEU A 96 32.941 3.071 0.393 1.00 0.00 C ATOM 599 CD2 LEU A 96 30.825 4.396 0.540 1.00 0.00 C ATOM 0 H LEU A 96 34.162 7.615 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 96 34.139 5.208 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.797 5.374 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.323 6.292 0.184 1.00 0.00 H new ATOM 0 HG LEU A 96 31.890 3.932 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 96 32.348 2.157 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.846 2.914 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 96 33.212 3.331 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.262 3.463 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 96 31.043 4.690 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.235 5.175 0.057 1.00 0.00 H new ATOM 611 N LEU A 97 31.532 7.176 -2.452 1.00 0.00 N ATOM 612 CA LEU A 97 30.386 7.423 -3.320 1.00 0.00 C ATOM 613 C LEU A 97 30.795 7.373 -4.789 1.00 0.00 C ATOM 614 O LEU A 97 30.187 6.664 -5.589 1.00 0.00 O ATOM 615 CB LEU A 97 29.761 8.782 -2.999 1.00 0.00 C ATOM 616 CG LEU A 97 28.255 8.901 -3.238 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.694 10.114 -2.513 1.00 0.00 C ATOM 618 CD2 LEU A 97 27.956 8.982 -4.728 1.00 0.00 C ATOM 0 H LEU A 97 31.699 7.904 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 97 29.650 6.640 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 97 29.962 9.014 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.265 9.542 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 97 27.772 8.009 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.621 10.183 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 97 27.875 10.014 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.183 11.016 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.880 9.066 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.451 9.856 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.322 8.082 -5.222 1.00 0.00 H new ATOM 630 N ASN A 98 31.832 8.130 -5.135 1.00 0.00 N ATOM 631 CA ASN A 98 32.324 8.171 -6.507 1.00 0.00 C ATOM 632 C ASN A 98 33.024 6.865 -6.873 1.00 0.00 C ATOM 633 O ASN A 98 33.040 6.462 -8.036 1.00 0.00 O ATOM 634 CB ASN A 98 33.285 9.347 -6.692 1.00 0.00 C ATOM 635 CG ASN A 98 32.861 10.268 -7.819 1.00 0.00 C ATOM 636 OD1 ASN A 98 33.482 10.292 -8.882 1.00 0.00 O ATOM 637 ND2 ASN A 98 31.800 11.033 -7.591 1.00 0.00 N ATOM 0 H ASN A 98 32.347 8.723 -4.484 1.00 0.00 H new ATOM 0 HA ASN A 98 31.468 8.302 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 98 33.342 9.916 -5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 98 34.286 8.966 -6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 98 31.469 11.674 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 98 31.316 10.980 -6.695 1.00 0.00 H new ATOM 644 N TYR A 99 33.602 6.210 -5.872 1.00 0.00 N ATOM 645 CA TYR A 99 34.306 4.952 -6.088 1.00 0.00 C ATOM 646 C TYR A 99 33.340 3.856 -6.529 1.00 0.00 C ATOM 647 O TYR A 99 33.688 2.992 -7.334 1.00 0.00 O ATOM 648 CB TYR A 99 35.032 4.524 -4.811 1.00 0.00 C ATOM 649 CG TYR A 99 36.512 4.833 -4.824 1.00 0.00 C ATOM 650 CD1 TYR A 99 37.328 4.380 -5.853 1.00 0.00 C ATOM 651 CD2 TYR A 99 37.095 5.578 -3.806 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.681 4.659 -5.868 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.446 5.863 -3.814 1.00 0.00 C ATOM 654 CZ TYR A 99 39.235 5.401 -4.847 1.00 0.00 C ATOM 655 OH TYR A 99 40.582 5.683 -4.858 1.00 0.00 O ATOM 0 H TYR A 99 33.597 6.530 -4.903 1.00 0.00 H new ATOM 0 HA TYR A 99 35.039 5.106 -6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.573 5.022 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.894 3.452 -4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 99 36.897 3.800 -6.655 1.00 0.00 H new ATOM 0 HD2 TYR A 99 36.481 5.940 -2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 99 39.301 4.298 -6.675 1.00 0.00 H new ATOM 0 HE2 TYR A 99 38.883 6.445 -3.016 1.00 0.00 H new ATOM 0 HH TYR A 99 40.811 6.216 -4.068 1.00 0.00 H new ATOM 665 N LEU A 100 32.124 3.899 -5.995 1.00 0.00 N ATOM 666 CA LEU A 100 31.105 2.911 -6.333 1.00 0.00 C ATOM 667 C LEU A 100 29.705 3.489 -6.149 1.00 0.00 C ATOM 668 O LEU A 100 29.299 3.815 -5.034 1.00 0.00 O ATOM 669 CB LEU A 100 31.272 1.662 -5.467 1.00 0.00 C ATOM 670 CG LEU A 100 30.263 0.538 -5.709 1.00 0.00 C ATOM 671 CD1 LEU A 100 30.455 -0.063 -7.092 1.00 0.00 C ATOM 672 CD2 LEU A 100 30.391 -0.534 -4.636 1.00 0.00 C ATOM 0 H LEU A 100 31.820 4.607 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 100 31.230 2.638 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.274 1.264 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 100 31.211 1.959 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 100 29.259 0.959 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 100 29.728 -0.861 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 100 30.311 0.709 -7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 100 31.463 -0.469 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 100 29.666 -1.326 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.398 -0.952 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 100 30.202 -0.093 -3.657 1.00 0.00 H new ATOM 684 N ASN A 101 28.971 3.610 -7.250 1.00 0.00 N ATOM 685 CA ASN A 101 27.616 4.146 -7.211 1.00 0.00 C ATOM 686 C ASN A 101 26.775 3.422 -6.164 1.00 0.00 C ATOM 687 O ASN A 101 25.924 4.025 -5.511 1.00 0.00 O ATOM 688 CB ASN A 101 26.956 4.023 -8.585 1.00 0.00 C ATOM 689 CG ASN A 101 26.770 5.369 -9.260 1.00 0.00 C ATOM 690 OD1 ASN A 101 25.714 5.651 -9.827 1.00 0.00 O ATOM 691 ND2 ASN A 101 27.799 6.207 -9.201 1.00 0.00 N ATOM 0 H ASN A 101 29.292 3.344 -8.181 1.00 0.00 H new ATOM 0 HA ASN A 101 27.677 5.200 -6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 101 27.565 3.382 -9.222 1.00 0.00 H new ATOM 0 HB3 ASN A 101 25.987 3.537 -8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.733 7.127 -9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 101 28.655 5.930 -8.720 1.00 0.00 H new ATOM 698 N GLU A 102 27.020 2.124 -6.010 1.00 0.00 N ATOM 699 CA GLU A 102 26.285 1.318 -5.043 1.00 0.00 C ATOM 700 C GLU A 102 26.608 1.751 -3.616 1.00 0.00 C ATOM 701 O GLU A 102 25.726 2.174 -2.868 1.00 0.00 O ATOM 702 CB GLU A 102 26.616 -0.165 -5.225 1.00 0.00 C ATOM 703 CG GLU A 102 25.781 -0.848 -6.295 1.00 0.00 C ATOM 704 CD GLU A 102 26.399 -0.741 -7.675 1.00 0.00 C ATOM 705 OE1 GLU A 102 26.546 0.394 -8.173 1.00 0.00 O ATOM 706 OE2 GLU A 102 26.736 -1.794 -8.257 1.00 0.00 O ATOM 0 H GLU A 102 27.721 1.609 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 102 25.220 1.469 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 102 27.671 -0.264 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 102 26.468 -0.681 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 102 25.657 -1.900 -6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 102 24.785 -0.404 -6.312 1.00 0.00 H new ATOM 713 N LYS A 103 27.879 1.641 -3.244 1.00 0.00 N ATOM 714 CA LYS A 103 28.321 2.021 -1.908 1.00 0.00 C ATOM 715 C LYS A 103 28.013 3.489 -1.629 1.00 0.00 C ATOM 716 O LYS A 103 28.763 4.377 -2.032 1.00 0.00 O ATOM 717 CB LYS A 103 29.822 1.765 -1.753 1.00 0.00 C ATOM 718 CG LYS A 103 30.172 0.302 -1.547 1.00 0.00 C ATOM 719 CD LYS A 103 29.993 -0.116 -0.097 1.00 0.00 C ATOM 720 CE LYS A 103 31.326 -0.179 0.633 1.00 0.00 C ATOM 721 NZ LYS A 103 31.208 -0.877 1.943 1.00 0.00 N ATOM 0 H LYS A 103 28.621 1.291 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 103 27.778 1.411 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 103 30.338 2.132 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 103 30.195 2.342 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 103 29.542 -0.317 -2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 103 31.204 0.127 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 103 29.334 0.590 0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 103 29.508 -1.091 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 103 32.057 -0.696 0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 103 31.701 0.832 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 31.963 -0.551 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 30.282 -0.665 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 31.296 -1.903 1.799 1.00 0.00 H new ATOM 735 N GLY A 104 26.906 3.736 -0.936 1.00 0.00 N ATOM 736 CA GLY A 104 26.520 5.097 -0.615 1.00 0.00 C ATOM 737 C GLY A 104 25.072 5.202 -0.178 1.00 0.00 C ATOM 738 O GLY A 104 24.755 5.005 0.995 1.00 0.00 O ATOM 0 H GLY A 104 26.269 3.017 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 104 27.164 5.476 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.680 5.732 -1.486 1.00 0.00 H new ATOM 742 N PHE A 105 24.191 5.514 -1.123 1.00 0.00 N ATOM 743 CA PHE A 105 22.769 5.647 -0.828 1.00 0.00 C ATOM 744 C PHE A 105 22.254 4.425 -0.073 1.00 0.00 C ATOM 745 O PHE A 105 22.076 3.353 -0.652 1.00 0.00 O ATOM 746 CB PHE A 105 21.974 5.834 -2.122 1.00 0.00 C ATOM 747 CG PHE A 105 20.494 5.646 -1.949 1.00 0.00 C ATOM 748 CD1 PHE A 105 19.810 6.313 -0.945 1.00 0.00 C ATOM 749 CD2 PHE A 105 19.787 4.802 -2.789 1.00 0.00 C ATOM 750 CE1 PHE A 105 18.449 6.141 -0.783 1.00 0.00 C ATOM 751 CE2 PHE A 105 18.425 4.626 -2.632 1.00 0.00 C ATOM 752 CZ PHE A 105 17.755 5.297 -1.628 1.00 0.00 C ATOM 0 H PHE A 105 24.437 5.679 -2.099 1.00 0.00 H new ATOM 0 HA PHE A 105 22.634 6.525 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.162 6.834 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 105 22.337 5.127 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.347 6.975 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 105 20.306 4.275 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 105 17.928 6.666 0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 105 17.885 3.965 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.691 5.162 -1.504 1.00 0.00 H new ATOM 762 N LEU A 106 22.015 4.596 1.223 1.00 0.00 N ATOM 763 CA LEU A 106 21.521 3.507 2.059 1.00 0.00 C ATOM 764 C LEU A 106 22.493 2.332 2.055 1.00 0.00 C ATOM 765 O LEU A 106 22.086 1.177 2.177 1.00 0.00 O ATOM 766 CB LEU A 106 20.145 3.048 1.572 1.00 0.00 C ATOM 767 CG LEU A 106 18.940 3.680 2.270 1.00 0.00 C ATOM 768 CD1 LEU A 106 18.807 3.149 3.689 1.00 0.00 C ATOM 769 CD2 LEU A 106 19.062 5.197 2.275 1.00 0.00 C ATOM 0 H LEU A 106 22.155 5.477 1.717 1.00 0.00 H new ATOM 0 HA LEU A 106 21.433 3.877 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.072 3.256 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 106 20.082 1.966 1.691 1.00 0.00 H new ATOM 0 HG LEU A 106 18.040 3.410 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 106 17.944 3.610 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 106 18.673 2.068 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 106 19.708 3.389 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 106 18.196 5.630 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 106 19.970 5.487 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 106 19.108 5.562 1.249 1.00 0.00 H new ATOM 781 N SER A 107 23.779 2.635 1.914 1.00 0.00 N ATOM 782 CA SER A 107 24.810 1.604 1.892 1.00 0.00 C ATOM 783 C SER A 107 24.729 0.729 3.140 1.00 0.00 C ATOM 784 O SER A 107 23.871 0.931 4.000 1.00 0.00 O ATOM 785 CB SER A 107 26.197 2.241 1.791 1.00 0.00 C ATOM 786 OG SER A 107 27.077 1.427 1.035 1.00 0.00 O ATOM 0 H SER A 107 24.132 3.587 1.813 1.00 0.00 H new ATOM 0 HA SER A 107 24.643 0.976 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 107 26.116 3.224 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 107 26.605 2.393 2.790 1.00 0.00 H new ATOM 0 HG SER A 107 26.640 0.573 0.833 1.00 0.00 H new ATOM 792 N LYS A 108 25.629 -0.244 3.232 1.00 0.00 N ATOM 793 CA LYS A 108 25.664 -1.150 4.373 1.00 0.00 C ATOM 794 C LYS A 108 25.937 -0.387 5.666 1.00 0.00 C ATOM 795 O LYS A 108 25.805 0.835 5.716 1.00 0.00 O ATOM 796 CB LYS A 108 26.734 -2.224 4.166 1.00 0.00 C ATOM 797 CG LYS A 108 26.245 -3.633 4.456 1.00 0.00 C ATOM 798 CD LYS A 108 25.962 -4.400 3.175 1.00 0.00 C ATOM 799 CE LYS A 108 24.795 -3.795 2.410 1.00 0.00 C ATOM 800 NZ LYS A 108 23.504 -3.983 3.128 1.00 0.00 N ATOM 0 H LYS A 108 26.345 -0.425 2.528 1.00 0.00 H new ATOM 0 HA LYS A 108 24.688 -1.629 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.090 -2.177 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 108 27.586 -2.005 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 108 26.994 -4.166 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 108 25.340 -3.588 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 108 26.851 -4.399 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 108 25.742 -5.441 3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 108 24.974 -2.731 2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 108 24.732 -4.253 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 22.716 -3.744 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 23.417 -4.974 3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 23.477 -3.362 3.962 1.00 0.00 H new ATOM 814 N SER A 109 26.321 -1.117 6.708 1.00 0.00 N ATOM 815 CA SER A 109 26.612 -0.509 8.001 1.00 0.00 C ATOM 816 C SER A 109 27.857 0.369 7.921 1.00 0.00 C ATOM 817 O SER A 109 28.695 0.198 7.037 1.00 0.00 O ATOM 818 CB SER A 109 26.804 -1.591 9.066 1.00 0.00 C ATOM 819 OG SER A 109 25.572 -1.931 9.676 1.00 0.00 O ATOM 0 H SER A 109 26.438 -2.130 6.682 1.00 0.00 H new ATOM 0 HA SER A 109 25.764 0.118 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.245 -2.478 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.504 -1.239 9.824 1.00 0.00 H new ATOM 0 HG SER A 109 25.722 -2.625 10.351 1.00 0.00 H new ATOM 825 N VAL A 110 27.970 1.311 8.853 1.00 0.00 N ATOM 826 CA VAL A 110 29.112 2.216 8.890 1.00 0.00 C ATOM 827 C VAL A 110 30.426 1.446 8.832 1.00 0.00 C ATOM 828 O VAL A 110 31.395 1.897 8.222 1.00 0.00 O ATOM 829 CB VAL A 110 29.096 3.088 10.159 1.00 0.00 C ATOM 830 CG1 VAL A 110 28.018 4.157 10.060 1.00 0.00 C ATOM 831 CG2 VAL A 110 28.890 2.226 11.395 1.00 0.00 C ATOM 0 H VAL A 110 27.284 1.467 9.592 1.00 0.00 H new ATOM 0 HA VAL A 110 29.033 2.860 8.014 1.00 0.00 H new ATOM 0 HB VAL A 110 30.061 3.586 10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 110 28.022 4.763 10.966 1.00 0.00 H new ATOM 0 HG12 VAL A 110 28.215 4.793 9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 110 27.044 3.682 9.946 1.00 0.00 H new ATOM 0 HG21 VAL A 110 28.881 2.859 12.283 1.00 0.00 H new ATOM 0 HG22 VAL A 110 27.940 1.698 11.316 1.00 0.00 H new ATOM 0 HG23 VAL A 110 29.701 1.502 11.473 1.00 0.00 H new ATOM 841 N GLU A 111 30.451 0.281 9.471 1.00 0.00 N ATOM 842 CA GLU A 111 31.648 -0.553 9.492 1.00 0.00 C ATOM 843 C GLU A 111 32.091 -0.904 8.075 1.00 0.00 C ATOM 844 O GLU A 111 33.272 -0.807 7.742 1.00 0.00 O ATOM 845 CB GLU A 111 31.391 -1.833 10.290 1.00 0.00 C ATOM 846 CG GLU A 111 31.151 -1.590 11.770 1.00 0.00 C ATOM 847 CD GLU A 111 30.713 -2.843 12.504 1.00 0.00 C ATOM 848 OE1 GLU A 111 31.438 -3.857 12.433 1.00 0.00 O ATOM 849 OE2 GLU A 111 29.644 -2.809 13.149 1.00 0.00 O ATOM 0 H GLU A 111 29.657 -0.107 9.981 1.00 0.00 H new ATOM 0 HA GLU A 111 32.446 0.013 9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.526 -2.345 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 111 32.245 -2.501 10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 111 32.065 -1.208 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 111 30.390 -0.819 11.889 1.00 0.00 H new ATOM 856 N GLU A 112 31.136 -1.312 7.246 1.00 0.00 N ATOM 857 CA GLU A 112 31.428 -1.679 5.865 1.00 0.00 C ATOM 858 C GLU A 112 32.167 -0.553 5.148 1.00 0.00 C ATOM 859 O GLU A 112 33.312 -0.717 4.727 1.00 0.00 O ATOM 860 CB GLU A 112 30.136 -2.013 5.118 1.00 0.00 C ATOM 861 CG GLU A 112 29.795 -3.494 5.124 1.00 0.00 C ATOM 862 CD GLU A 112 30.894 -4.348 4.523 1.00 0.00 C ATOM 863 OE1 GLU A 112 31.285 -4.083 3.367 1.00 0.00 O ATOM 864 OE2 GLU A 112 31.363 -5.280 5.208 1.00 0.00 O ATOM 0 H GLU A 112 30.153 -1.397 7.506 1.00 0.00 H new ATOM 0 HA GLU A 112 32.069 -2.561 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.313 -1.457 5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 112 30.225 -1.673 4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 112 29.609 -3.816 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 112 28.871 -3.653 4.567 1.00 0.00 H new ATOM 871 N ILE A 113 31.502 0.590 5.012 1.00 0.00 N ATOM 872 CA ILE A 113 32.095 1.743 4.347 1.00 0.00 C ATOM 873 C ILE A 113 33.439 2.107 4.970 1.00 0.00 C ATOM 874 O ILE A 113 34.392 2.437 4.265 1.00 0.00 O ATOM 875 CB ILE A 113 31.164 2.969 4.409 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.893 2.713 3.597 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.885 4.208 3.899 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.620 3.014 4.356 1.00 0.00 C ATOM 0 H ILE A 113 30.553 0.742 5.353 1.00 0.00 H new ATOM 0 HA ILE A 113 32.245 1.463 3.304 1.00 0.00 H new ATOM 0 HB ILE A 113 30.881 3.140 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 113 29.920 3.322 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 113 29.879 1.671 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.214 5.066 3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.763 4.398 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.195 4.049 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 113 27.760 2.810 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.570 2.386 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 113 28.612 4.063 4.651 1.00 0.00 H new ATOM 890 N SER A 114 33.507 2.043 6.296 1.00 0.00 N ATOM 891 CA SER A 114 34.733 2.367 7.015 1.00 0.00 C ATOM 892 C SER A 114 35.866 1.431 6.606 1.00 0.00 C ATOM 893 O SER A 114 36.995 1.867 6.380 1.00 0.00 O ATOM 894 CB SER A 114 34.503 2.279 8.524 1.00 0.00 C ATOM 895 OG SER A 114 35.612 1.685 9.176 1.00 0.00 O ATOM 0 H SER A 114 32.727 1.770 6.894 1.00 0.00 H new ATOM 0 HA SER A 114 35.017 3.387 6.757 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.332 3.277 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.604 1.696 8.724 1.00 0.00 H new ATOM 0 HG SER A 114 36.370 2.306 9.162 1.00 0.00 H new ATOM 901 N ASP A 115 35.557 0.143 6.513 1.00 0.00 N ATOM 902 CA ASP A 115 36.548 -0.856 6.131 1.00 0.00 C ATOM 903 C ASP A 115 37.013 -0.638 4.694 1.00 0.00 C ATOM 904 O ASP A 115 38.187 -0.826 4.376 1.00 0.00 O ATOM 905 CB ASP A 115 35.969 -2.264 6.284 1.00 0.00 C ATOM 906 CG ASP A 115 36.855 -3.165 7.123 1.00 0.00 C ATOM 907 OD1 ASP A 115 38.084 -2.943 7.137 1.00 0.00 O ATOM 908 OD2 ASP A 115 36.318 -4.091 7.765 1.00 0.00 O ATOM 0 H ASP A 115 34.627 -0.234 6.697 1.00 0.00 H new ATOM 0 HA ASP A 115 37.408 -0.751 6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 115 34.982 -2.200 6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 115 35.834 -2.708 5.298 1.00 0.00 H new ATOM 913 N VAL A 116 36.084 -0.241 3.831 1.00 0.00 N ATOM 914 CA VAL A 116 36.399 0.003 2.428 1.00 0.00 C ATOM 915 C VAL A 116 37.189 1.296 2.259 1.00 0.00 C ATOM 916 O VAL A 116 38.036 1.406 1.372 1.00 0.00 O ATOM 917 CB VAL A 116 35.121 0.079 1.571 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.467 0.390 0.123 1.00 0.00 C ATOM 919 CG2 VAL A 116 34.334 -1.219 1.673 1.00 0.00 C ATOM 0 H VAL A 116 35.107 -0.081 4.078 1.00 0.00 H new ATOM 0 HA VAL A 116 37.006 -0.837 2.089 1.00 0.00 H new ATOM 0 HB VAL A 116 34.496 0.887 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.552 0.440 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 116 35.985 1.347 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 116 36.112 -0.394 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 116 33.434 -1.148 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 116 34.949 -2.046 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 116 34.054 -1.394 2.712 1.00 0.00 H new ATOM 929 N LEU A 117 36.906 2.271 3.114 1.00 0.00 N ATOM 930 CA LEU A 117 37.591 3.558 3.061 1.00 0.00 C ATOM 931 C LEU A 117 38.865 3.533 3.899 1.00 0.00 C ATOM 932 O LEU A 117 39.667 4.466 3.855 1.00 0.00 O ATOM 933 CB LEU A 117 36.665 4.672 3.553 1.00 0.00 C ATOM 934 CG LEU A 117 36.607 5.929 2.685 1.00 0.00 C ATOM 935 CD1 LEU A 117 37.944 6.654 2.704 1.00 0.00 C ATOM 936 CD2 LEU A 117 36.210 5.575 1.259 1.00 0.00 C ATOM 0 H LEU A 117 36.207 2.196 3.853 1.00 0.00 H new ATOM 0 HA LEU A 117 37.865 3.753 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.657 4.267 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 117 36.979 4.961 4.556 1.00 0.00 H new ATOM 0 HG LEU A 117 35.850 6.596 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 117 37.883 7.546 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 117 38.187 6.942 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 117 38.721 5.994 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 117 36.174 6.482 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 117 36.943 4.888 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 117 35.228 5.102 1.262 1.00 0.00 H new ATOM 948 N ARG A 118 39.045 2.458 4.660 1.00 0.00 N ATOM 949 CA ARG A 118 40.221 2.311 5.508 1.00 0.00 C ATOM 950 C ARG A 118 40.286 3.426 6.547 1.00 0.00 C ATOM 951 O ARG A 118 41.338 3.680 7.136 1.00 0.00 O ATOM 952 CB ARG A 118 41.493 2.318 4.657 1.00 0.00 C ATOM 953 CG ARG A 118 41.498 1.265 3.561 1.00 0.00 C ATOM 954 CD ARG A 118 42.168 1.781 2.297 1.00 0.00 C ATOM 955 NE ARG A 118 43.625 1.753 2.399 1.00 0.00 N ATOM 956 CZ ARG A 118 44.436 1.780 1.348 1.00 0.00 C ATOM 957 NH1 ARG A 118 43.935 1.837 0.121 1.00 0.00 N ATOM 958 NH2 ARG A 118 45.751 1.752 1.522 1.00 0.00 N ATOM 0 H ARG A 118 38.391 1.676 4.706 1.00 0.00 H new ATOM 0 HA ARG A 118 40.145 1.357 6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.612 3.302 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.355 2.160 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 118 42.019 0.374 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 118 40.474 0.967 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 118 41.852 1.176 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 118 41.838 2.801 2.102 1.00 0.00 H new ATOM 0 HE ARG A 118 44.042 1.710 3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 118 42.925 1.860 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 118 44.560 1.858 -0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 118 46.140 1.710 2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 118 46.373 1.773 0.714 1.00 0.00 H new ATOM 972 N CYS A 119 39.156 4.089 6.767 1.00 0.00 N ATOM 973 CA CYS A 119 39.084 5.178 7.734 1.00 0.00 C ATOM 974 C CYS A 119 38.251 4.775 8.947 1.00 0.00 C ATOM 975 O CYS A 119 37.526 3.780 8.911 1.00 0.00 O ATOM 976 CB CYS A 119 38.488 6.427 7.084 1.00 0.00 C ATOM 977 SG CYS A 119 39.717 7.643 6.555 1.00 0.00 S ATOM 0 H CYS A 119 38.277 3.891 6.289 1.00 0.00 H new ATOM 0 HA CYS A 119 40.097 5.400 8.069 1.00 0.00 H new ATOM 0 HB2 CYS A 119 37.895 6.126 6.220 1.00 0.00 H new ATOM 0 HB3 CYS A 119 37.805 6.900 7.790 1.00 0.00 H new ATOM 0 HG CYS A 119 39.508 8.768 7.172 1.00 0.00 H new ATOM 983 N SER A 120 38.361 5.552 10.019 1.00 0.00 N ATOM 984 CA SER A 120 37.622 5.273 11.245 1.00 0.00 C ATOM 985 C SER A 120 36.118 5.349 11.002 1.00 0.00 C ATOM 986 O SER A 120 35.644 6.180 10.228 1.00 0.00 O ATOM 987 CB SER A 120 38.023 6.260 12.343 1.00 0.00 C ATOM 988 OG SER A 120 39.333 5.994 12.814 1.00 0.00 O ATOM 0 H SER A 120 38.955 6.380 10.064 1.00 0.00 H new ATOM 0 HA SER A 120 37.870 4.262 11.567 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.971 7.278 11.958 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.316 6.196 13.170 1.00 0.00 H new ATOM 0 HG SER A 120 39.566 6.639 13.514 1.00 0.00 H new ATOM 994 N VAL A 121 35.372 4.474 11.669 1.00 0.00 N ATOM 995 CA VAL A 121 33.922 4.441 11.528 1.00 0.00 C ATOM 996 C VAL A 121 33.292 5.739 12.021 1.00 0.00 C ATOM 997 O VAL A 121 32.338 6.241 11.428 1.00 0.00 O ATOM 998 CB VAL A 121 33.309 3.259 12.302 1.00 0.00 C ATOM 999 CG1 VAL A 121 31.790 3.295 12.218 1.00 0.00 C ATOM 1000 CG2 VAL A 121 33.849 1.939 11.773 1.00 0.00 C ATOM 0 H VAL A 121 35.749 3.778 12.313 1.00 0.00 H new ATOM 0 HA VAL A 121 33.710 4.318 10.466 1.00 0.00 H new ATOM 0 HB VAL A 121 33.593 3.348 13.351 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.375 2.452 12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.424 4.227 12.649 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.482 3.232 11.174 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.405 1.115 12.331 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.597 1.840 10.717 1.00 0.00 H new ATOM 0 HG23 VAL A 121 34.932 1.916 11.891 1.00 0.00 H new ATOM 1010 N GLU A 122 33.832 6.276 13.110 1.00 0.00 N ATOM 1011 CA GLU A 122 33.322 7.516 13.684 1.00 0.00 C ATOM 1012 C GLU A 122 33.186 8.594 12.613 1.00 0.00 C ATOM 1013 O GLU A 122 32.210 9.343 12.593 1.00 0.00 O ATOM 1014 CB GLU A 122 34.245 8.004 14.802 1.00 0.00 C ATOM 1015 CG GLU A 122 35.722 7.907 14.458 1.00 0.00 C ATOM 1016 CD GLU A 122 36.598 8.683 15.422 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.183 9.780 15.850 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.699 8.192 15.749 1.00 0.00 O ATOM 0 H GLU A 122 34.622 5.872 13.613 1.00 0.00 H new ATOM 0 HA GLU A 122 32.335 7.316 14.101 1.00 0.00 H new ATOM 0 HB2 GLU A 122 34.002 9.041 15.035 1.00 0.00 H new ATOM 0 HB3 GLU A 122 34.051 7.421 15.702 1.00 0.00 H new ATOM 0 HG2 GLU A 122 36.024 6.860 14.461 1.00 0.00 H new ATOM 0 HG3 GLU A 122 35.881 8.281 13.447 1.00 0.00 H new ATOM 1025 N GLU A 123 34.173 8.667 11.726 1.00 0.00 N ATOM 1026 CA GLU A 123 34.164 9.655 10.653 1.00 0.00 C ATOM 1027 C GLU A 123 33.054 9.358 9.650 1.00 0.00 C ATOM 1028 O GLU A 123 32.286 10.246 9.275 1.00 0.00 O ATOM 1029 CB GLU A 123 35.518 9.679 9.941 1.00 0.00 C ATOM 1030 CG GLU A 123 36.037 11.081 9.667 1.00 0.00 C ATOM 1031 CD GLU A 123 36.870 11.628 10.810 1.00 0.00 C ATOM 1032 OE1 GLU A 123 38.040 11.211 10.942 1.00 0.00 O ATOM 1033 OE2 GLU A 123 36.353 12.471 11.571 1.00 0.00 O ATOM 0 H GLU A 123 34.989 8.054 11.729 1.00 0.00 H new ATOM 0 HA GLU A 123 33.977 10.633 11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.248 9.143 10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.432 9.141 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 123 36.637 11.071 8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 123 35.194 11.748 9.485 1.00 0.00 H new ATOM 1040 N LEU A 124 32.975 8.105 9.218 1.00 0.00 N ATOM 1041 CA LEU A 124 31.959 7.689 8.257 1.00 0.00 C ATOM 1042 C LEU A 124 30.557 7.919 8.812 1.00 0.00 C ATOM 1043 O LEU A 124 29.652 8.332 8.088 1.00 0.00 O ATOM 1044 CB LEU A 124 32.142 6.214 7.897 1.00 0.00 C ATOM 1045 CG LEU A 124 31.182 5.655 6.846 1.00 0.00 C ATOM 1046 CD1 LEU A 124 29.858 5.267 7.485 1.00 0.00 C ATOM 1047 CD2 LEU A 124 30.962 6.668 5.732 1.00 0.00 C ATOM 0 H LEU A 124 33.602 7.359 9.518 1.00 0.00 H new ATOM 0 HA LEU A 124 32.077 8.293 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 124 33.162 6.072 7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 124 32.037 5.623 8.807 1.00 0.00 H new ATOM 0 HG LEU A 124 31.629 4.760 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 124 29.188 4.871 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 124 30.031 4.506 8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.405 6.145 7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.276 6.253 4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.537 7.581 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 124 31.915 6.896 5.255 1.00 0.00 H new ATOM 1059 N GLU A 125 30.386 7.649 10.103 1.00 0.00 N ATOM 1060 CA GLU A 125 29.094 7.828 10.756 1.00 0.00 C ATOM 1061 C GLU A 125 28.725 9.306 10.835 1.00 0.00 C ATOM 1062 O GLU A 125 27.592 9.692 10.547 1.00 0.00 O ATOM 1063 CB GLU A 125 29.119 7.220 12.160 1.00 0.00 C ATOM 1064 CG GLU A 125 28.589 8.153 13.236 1.00 0.00 C ATOM 1065 CD GLU A 125 28.435 7.467 14.579 1.00 0.00 C ATOM 1066 OE1 GLU A 125 27.990 6.300 14.600 1.00 0.00 O ATOM 1067 OE2 GLU A 125 28.758 8.095 15.608 1.00 0.00 O ATOM 0 H GLU A 125 31.125 7.306 10.717 1.00 0.00 H new ATOM 0 HA GLU A 125 28.339 7.315 10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 125 28.527 6.304 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 125 30.143 6.938 12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.265 9.001 13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 125 27.624 8.551 12.923 1.00 0.00 H new ATOM 1074 N LYS A 126 29.690 10.131 11.229 1.00 0.00 N ATOM 1075 CA LYS A 126 29.469 11.567 11.347 1.00 0.00 C ATOM 1076 C LYS A 126 29.034 12.162 10.012 1.00 0.00 C ATOM 1077 O LYS A 126 27.986 12.800 9.917 1.00 0.00 O ATOM 1078 CB LYS A 126 30.742 12.261 11.837 1.00 0.00 C ATOM 1079 CG LYS A 126 30.688 12.671 13.298 1.00 0.00 C ATOM 1080 CD LYS A 126 32.074 12.700 13.921 1.00 0.00 C ATOM 1081 CE LYS A 126 32.005 12.917 15.425 1.00 0.00 C ATOM 1082 NZ LYS A 126 31.702 14.334 15.768 1.00 0.00 N ATOM 0 H LYS A 126 30.633 9.829 11.472 1.00 0.00 H new ATOM 0 HA LYS A 126 28.672 11.728 12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 126 31.590 11.593 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 126 30.921 13.146 11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 126 30.229 13.656 13.384 1.00 0.00 H new ATOM 0 HG3 LYS A 126 30.055 11.975 13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 126 32.588 11.762 13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 126 32.663 13.495 13.464 1.00 0.00 H new ATOM 0 HE2 LYS A 126 31.239 12.269 15.851 1.00 0.00 H new ATOM 0 HE3 LYS A 126 32.954 12.629 15.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 31.664 14.440 16.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 32.446 14.951 15.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 30.784 14.602 15.358 1.00 0.00 H new ATOM 1096 N VAL A 127 29.846 11.948 8.981 1.00 0.00 N ATOM 1097 CA VAL A 127 29.544 12.461 7.650 1.00 0.00 C ATOM 1098 C VAL A 127 28.204 11.934 7.149 1.00 0.00 C ATOM 1099 O VAL A 127 27.410 12.676 6.572 1.00 0.00 O ATOM 1100 CB VAL A 127 30.643 12.082 6.640 1.00 0.00 C ATOM 1101 CG1 VAL A 127 31.965 12.731 7.019 1.00 0.00 C ATOM 1102 CG2 VAL A 127 30.787 10.570 6.552 1.00 0.00 C ATOM 0 H VAL A 127 30.718 11.423 9.042 1.00 0.00 H new ATOM 0 HA VAL A 127 29.496 13.547 7.732 1.00 0.00 H new ATOM 0 HB VAL A 127 30.353 12.454 5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.729 12.451 6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.850 13.815 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.265 12.393 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.568 10.320 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 127 31.054 10.172 7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 127 29.843 10.133 6.228 1.00 0.00 H new ATOM 1112 N ARG A 128 27.959 10.647 7.375 1.00 0.00 N ATOM 1113 CA ARG A 128 26.715 10.020 6.946 1.00 0.00 C ATOM 1114 C ARG A 128 25.509 10.747 7.533 1.00 0.00 C ATOM 1115 O ARG A 128 24.598 11.144 6.807 1.00 0.00 O ATOM 1116 CB ARG A 128 26.690 8.549 7.364 1.00 0.00 C ATOM 1117 CG ARG A 128 27.075 7.592 6.248 1.00 0.00 C ATOM 1118 CD ARG A 128 26.105 6.424 6.155 1.00 0.00 C ATOM 1119 NE ARG A 128 25.867 5.806 7.457 1.00 0.00 N ATOM 1120 CZ ARG A 128 24.922 4.899 7.678 1.00 0.00 C ATOM 1121 NH1 ARG A 128 24.130 4.508 6.689 1.00 0.00 N ATOM 1122 NH2 ARG A 128 24.767 4.382 8.890 1.00 0.00 N ATOM 0 H ARG A 128 28.605 10.019 7.852 1.00 0.00 H new ATOM 0 HA ARG A 128 26.662 10.083 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.370 8.407 8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 128 25.690 8.298 7.718 1.00 0.00 H new ATOM 0 HG2 ARG A 128 27.093 8.127 5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 128 28.083 7.216 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 128 25.159 6.771 5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 128 26.501 5.678 5.466 1.00 0.00 H new ATOM 0 HE ARG A 128 26.459 6.086 8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 128 24.246 4.904 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 128 23.405 3.811 6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 128 25.374 4.681 9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 128 24.041 3.686 9.058 1.00 0.00 H new ATOM 1136 N GLN A 129 25.510 10.917 8.851 1.00 0.00 N ATOM 1137 CA GLN A 129 24.415 11.595 9.535 1.00 0.00 C ATOM 1138 C GLN A 129 24.247 13.018 9.014 1.00 0.00 C ATOM 1139 O GLN A 129 23.127 13.484 8.802 1.00 0.00 O ATOM 1140 CB GLN A 129 24.665 11.617 11.044 1.00 0.00 C ATOM 1141 CG GLN A 129 24.874 10.238 11.647 1.00 0.00 C ATOM 1142 CD GLN A 129 23.594 9.641 12.197 1.00 0.00 C ATOM 1143 OE1 GLN A 129 22.854 10.297 12.931 1.00 0.00 O ATOM 1144 NE2 GLN A 129 23.324 8.389 11.844 1.00 0.00 N ATOM 0 H GLN A 129 26.257 10.595 9.467 1.00 0.00 H new ATOM 0 HA GLN A 129 23.496 11.044 9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 129 25.542 12.231 11.249 1.00 0.00 H new ATOM 0 HB3 GLN A 129 23.819 12.095 11.537 1.00 0.00 H new ATOM 0 HG2 GLN A 129 25.284 9.572 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.613 10.303 12.446 1.00 0.00 H new ATOM 0 HE21 GLN A 129 23.965 7.882 11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 129 22.476 7.935 12.183 1.00 0.00 H new ATOM 1153 N LYS A 130 25.366 13.705 8.810 1.00 0.00 N ATOM 1154 CA LYS A 130 25.343 15.075 8.313 1.00 0.00 C ATOM 1155 C LYS A 130 24.569 15.166 7.001 1.00 0.00 C ATOM 1156 O LYS A 130 23.739 16.056 6.819 1.00 0.00 O ATOM 1157 CB LYS A 130 26.770 15.590 8.112 1.00 0.00 C ATOM 1158 CG LYS A 130 27.259 16.482 9.240 1.00 0.00 C ATOM 1159 CD LYS A 130 27.948 17.727 8.708 1.00 0.00 C ATOM 1160 CE LYS A 130 29.117 18.138 9.590 1.00 0.00 C ATOM 1161 NZ LYS A 130 29.577 19.522 9.292 1.00 0.00 N ATOM 0 H LYS A 130 26.301 13.335 8.981 1.00 0.00 H new ATOM 0 HA LYS A 130 24.840 15.695 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.444 14.739 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.819 16.144 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 130 26.416 16.772 9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 130 27.950 15.925 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 130 28.303 17.542 7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 130 27.230 18.545 8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 130 28.823 18.071 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 130 29.943 17.442 9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 30.375 19.764 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 29.882 19.580 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 28.796 20.190 9.454 1.00 0.00 H new ATOM 1175 N VAL A 131 24.846 14.237 6.091 1.00 0.00 N ATOM 1176 CA VAL A 131 24.174 14.211 4.797 1.00 0.00 C ATOM 1177 C VAL A 131 22.833 13.490 4.889 1.00 0.00 C ATOM 1178 O VAL A 131 22.003 13.583 3.984 1.00 0.00 O ATOM 1179 CB VAL A 131 25.042 13.523 3.728 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.338 14.290 3.517 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.325 12.080 4.119 1.00 0.00 C ATOM 0 H VAL A 131 25.531 13.493 6.226 1.00 0.00 H new ATOM 0 HA VAL A 131 24.007 15.248 4.506 1.00 0.00 H new ATOM 0 HB VAL A 131 24.493 13.520 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 131 26.938 13.788 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.111 15.304 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 131 26.895 14.328 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 131 25.940 11.609 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.854 12.058 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.384 11.538 4.214 1.00 0.00 H new ATOM 1191 N LEU A 132 22.628 12.773 5.988 1.00 0.00 N ATOM 1192 CA LEU A 132 21.387 12.036 6.199 1.00 0.00 C ATOM 1193 C LEU A 132 20.285 12.959 6.709 1.00 0.00 C ATOM 1194 O LEU A 132 19.101 12.721 6.468 1.00 0.00 O ATOM 1195 CB LEU A 132 21.611 10.894 7.192 1.00 0.00 C ATOM 1196 CG LEU A 132 20.437 9.935 7.389 1.00 0.00 C ATOM 1197 CD1 LEU A 132 20.935 8.558 7.802 1.00 0.00 C ATOM 1198 CD2 LEU A 132 19.467 10.485 8.425 1.00 0.00 C ATOM 0 H LEU A 132 23.304 12.686 6.746 1.00 0.00 H new ATOM 0 HA LEU A 132 21.073 11.621 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.474 10.316 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 132 21.868 11.326 8.159 1.00 0.00 H new ATOM 0 HG LEU A 132 19.909 9.839 6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 132 20.085 7.889 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 132 21.590 8.160 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.488 8.637 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 132 18.638 9.789 8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 132 19.984 10.611 9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 132 19.084 11.449 8.089 1.00 0.00 H new ATOM 1210 N ARG A 133 20.683 14.014 7.413 1.00 0.00 N ATOM 1211 CA ARG A 133 19.729 14.974 7.956 1.00 0.00 C ATOM 1212 C ARG A 133 18.647 15.304 6.931 1.00 0.00 C ATOM 1213 O ARG A 133 17.471 14.996 7.133 1.00 0.00 O ATOM 1214 CB ARG A 133 20.449 16.254 8.383 1.00 0.00 C ATOM 1215 CG ARG A 133 21.671 16.004 9.251 1.00 0.00 C ATOM 1216 CD ARG A 133 21.354 15.064 10.403 1.00 0.00 C ATOM 1217 NE ARG A 133 20.183 15.500 11.160 1.00 0.00 N ATOM 1218 CZ ARG A 133 20.212 16.476 12.060 1.00 0.00 C ATOM 1219 NH1 ARG A 133 21.346 17.114 12.315 1.00 0.00 N ATOM 1220 NH2 ARG A 133 19.105 16.816 12.708 1.00 0.00 N ATOM 0 H ARG A 133 21.659 14.226 7.621 1.00 0.00 H new ATOM 0 HA ARG A 133 19.254 14.524 8.828 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.753 16.804 7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 133 19.751 16.889 8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 133 22.470 15.579 8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 133 22.039 16.952 9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 133 21.181 14.060 10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 133 22.215 15.004 11.069 1.00 0.00 H new ATOM 0 HE ARG A 133 19.295 15.029 10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 133 22.199 16.856 11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 133 21.365 17.863 13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 133 18.231 16.327 12.515 1.00 0.00 H new ATOM 0 HH22 ARG A 133 19.128 17.566 13.399 1.00 0.00 H new ATOM 1234 N LEU A 134 19.052 15.931 5.833 1.00 0.00 N ATOM 1235 CA LEU A 134 18.117 16.304 4.776 1.00 0.00 C ATOM 1236 C LEU A 134 17.238 15.120 4.384 1.00 0.00 C ATOM 1237 O LEU A 134 16.030 15.266 4.202 1.00 0.00 O ATOM 1238 CB LEU A 134 18.878 16.816 3.552 1.00 0.00 C ATOM 1239 CG LEU A 134 19.245 18.301 3.563 1.00 0.00 C ATOM 1240 CD1 LEU A 134 18.004 19.159 3.372 1.00 0.00 C ATOM 1241 CD2 LEU A 134 19.953 18.666 4.860 1.00 0.00 C ATOM 0 H LEU A 134 20.021 16.192 5.650 1.00 0.00 H new ATOM 0 HA LEU A 134 17.476 17.099 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 134 19.795 16.236 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 134 18.276 16.618 2.665 1.00 0.00 H new ATOM 0 HG LEU A 134 19.926 18.493 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 134 18.285 20.212 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 134 17.538 18.917 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 134 17.299 18.963 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 134 20.207 19.726 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 134 19.296 18.458 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 134 20.864 18.076 4.956 1.00 0.00 H new ATOM 1253 N GLU A 135 17.854 13.949 4.259 1.00 0.00 N ATOM 1254 CA GLU A 135 17.127 12.740 3.890 1.00 0.00 C ATOM 1255 C GLU A 135 16.804 11.901 5.123 1.00 0.00 C ATOM 1256 O GLU A 135 15.991 10.980 5.064 1.00 0.00 O ATOM 1257 CB GLU A 135 17.941 11.912 2.895 1.00 0.00 C ATOM 1258 CG GLU A 135 19.195 11.298 3.496 1.00 0.00 C ATOM 1259 CD GLU A 135 19.855 10.295 2.570 1.00 0.00 C ATOM 1260 OE1 GLU A 135 20.282 10.697 1.468 1.00 0.00 O ATOM 1261 OE2 GLU A 135 19.944 9.108 2.948 1.00 0.00 O ATOM 0 H GLU A 135 18.854 13.812 4.408 1.00 0.00 H new ATOM 0 HA GLU A 135 16.190 13.040 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 135 17.312 11.116 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 135 18.224 12.545 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 135 19.905 12.090 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 135 18.940 10.807 4.435 1.00 0.00 H new TER 1268 GLU A 135