USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 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 : amide:sc= -0.352 X(o=-0.36,f=-0.15) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -118:sc=-0.00348 (180deg=-0.0761) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 42:sc= -0.0933 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.2!) USER MOD Single : A 80 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.4) USER MOD Single : A 88 LYS NZ :NH3+ -117:sc= -1.49 (180deg=-3.67!) USER MOD Single : A 90 GLN : amide:sc= 0.367 K(o=0.37,f=-0.16) USER MOD Single : A 98 ASN : amide:sc= -0.358 K(o=-0.36,f=-1.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.6!) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= -0.133 (180deg=-0.657) USER MOD Single : A 107 SER OG : rot 180:sc= -1.39 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 82:sc= -1.27! USER MOD Single : A 119 CYS SG : rot -150:sc= 0 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=-0.00831 X(o=-0.0083,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 1.449 -4.883 -0.132 1.00 0.00 N ATOM 2 CA LYS A 60 2.324 -4.417 -1.201 1.00 0.00 C ATOM 3 C LYS A 60 1.788 -4.840 -2.566 1.00 0.00 C ATOM 4 O LYS A 60 1.643 -6.030 -2.843 1.00 0.00 O ATOM 5 CB LYS A 60 3.739 -4.966 -1.005 1.00 0.00 C ATOM 6 CG LYS A 60 4.244 -4.848 0.423 1.00 0.00 C ATOM 7 CD LYS A 60 4.371 -3.396 0.851 1.00 0.00 C ATOM 8 CE LYS A 60 5.409 -3.228 1.951 1.00 0.00 C ATOM 9 NZ LYS A 60 6.767 -2.969 1.397 1.00 0.00 N ATOM 0 HA LYS A 60 2.354 -3.328 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.758 -6.014 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.421 -4.434 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.562 -5.368 1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.213 -5.340 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.648 -2.785 -0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.405 -3.033 1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.119 -2.403 2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.434 -4.127 2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.445 -2.860 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.055 -3.768 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.750 -2.098 0.829 1.00 0.00 H new ATOM 23 N GLU A 61 1.497 -3.857 -3.412 1.00 0.00 N ATOM 24 CA GLU A 61 0.978 -4.129 -4.748 1.00 0.00 C ATOM 25 C GLU A 61 1.949 -3.639 -5.819 1.00 0.00 C ATOM 26 O GLU A 61 2.277 -4.367 -6.756 1.00 0.00 O ATOM 27 CB GLU A 61 -0.385 -3.461 -4.935 1.00 0.00 C ATOM 28 CG GLU A 61 -0.421 -2.013 -4.477 1.00 0.00 C ATOM 29 CD GLU A 61 -1.819 -1.426 -4.507 1.00 0.00 C ATOM 30 OE1 GLU A 61 -2.547 -1.574 -3.504 1.00 0.00 O ATOM 31 OE2 GLU A 61 -2.185 -0.818 -5.535 1.00 0.00 O ATOM 0 H GLU A 61 1.611 -2.867 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 61 0.863 -5.208 -4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.661 -3.507 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.136 -4.026 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.025 -1.946 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.233 -1.418 -5.115 1.00 0.00 H new ATOM 38 N THR A 62 2.404 -2.399 -5.673 1.00 0.00 N ATOM 39 CA THR A 62 3.335 -1.810 -6.628 1.00 0.00 C ATOM 40 C THR A 62 4.741 -1.726 -6.045 1.00 0.00 C ATOM 41 O THR A 62 4.959 -2.042 -4.875 1.00 0.00 O ATOM 42 CB THR A 62 2.884 -0.400 -7.055 1.00 0.00 C ATOM 43 OG1 THR A 62 3.685 0.060 -8.150 1.00 0.00 O ATOM 44 CG2 THR A 62 2.991 0.578 -5.895 1.00 0.00 C ATOM 0 H THR A 62 2.143 -1.783 -4.903 1.00 0.00 H new ATOM 0 HA THR A 62 3.345 -2.461 -7.502 1.00 0.00 H new ATOM 0 HB THR A 62 1.841 -0.455 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.821 -0.673 -8.786 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.667 1.566 -6.221 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.357 0.241 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.026 0.629 -5.556 1.00 0.00 H new ATOM 52 N VAL A 63 5.693 -1.296 -6.867 1.00 0.00 N ATOM 53 CA VAL A 63 7.078 -1.169 -6.432 1.00 0.00 C ATOM 54 C VAL A 63 7.496 0.295 -6.349 1.00 0.00 C ATOM 55 O VAL A 63 6.941 1.164 -7.022 1.00 0.00 O ATOM 56 CB VAL A 63 8.036 -1.911 -7.383 1.00 0.00 C ATOM 57 CG1 VAL A 63 7.880 -3.417 -7.229 1.00 0.00 C ATOM 58 CG2 VAL A 63 7.792 -1.486 -8.823 1.00 0.00 C ATOM 0 H VAL A 63 5.530 -1.030 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 63 7.141 -1.619 -5.441 1.00 0.00 H new ATOM 0 HB VAL A 63 9.060 -1.647 -7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.564 -3.925 -7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.109 -3.703 -6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.855 -3.703 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.477 -2.020 -9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.765 -1.720 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.959 -0.413 -8.919 1.00 0.00 H new ATOM 68 N PRO A 64 8.499 0.578 -5.505 1.00 0.00 N ATOM 69 CA PRO A 64 9.015 1.936 -5.315 1.00 0.00 C ATOM 70 C PRO A 64 9.770 2.446 -6.537 1.00 0.00 C ATOM 71 O PRO A 64 9.747 1.822 -7.598 1.00 0.00 O ATOM 72 CB PRO A 64 9.964 1.792 -4.122 1.00 0.00 C ATOM 73 CG PRO A 64 10.386 0.363 -4.145 1.00 0.00 C ATOM 74 CD PRO A 64 9.208 -0.408 -4.671 1.00 0.00 C ATOM 0 HA PRO A 64 8.213 2.657 -5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.821 2.459 -4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.465 2.042 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.259 0.224 -4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.662 0.021 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.522 -1.274 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.577 -0.779 -3.863 1.00 0.00 H new ATOM 82 N TYR A 65 10.439 3.583 -6.382 1.00 0.00 N ATOM 83 CA TYR A 65 11.200 4.178 -7.474 1.00 0.00 C ATOM 84 C TYR A 65 12.684 4.250 -7.129 1.00 0.00 C ATOM 85 O TYR A 65 13.533 4.356 -8.013 1.00 0.00 O ATOM 86 CB TYR A 65 10.670 5.578 -7.790 1.00 0.00 C ATOM 87 CG TYR A 65 11.474 6.307 -8.843 1.00 0.00 C ATOM 88 CD1 TYR A 65 11.535 5.836 -10.149 1.00 0.00 C ATOM 89 CD2 TYR A 65 12.172 7.467 -8.532 1.00 0.00 C ATOM 90 CE1 TYR A 65 12.270 6.498 -11.113 1.00 0.00 C ATOM 91 CE2 TYR A 65 12.908 8.137 -9.490 1.00 0.00 C ATOM 92 CZ TYR A 65 12.954 7.648 -10.779 1.00 0.00 C ATOM 93 OH TYR A 65 13.685 8.312 -11.737 1.00 0.00 O ATOM 0 H TYR A 65 10.470 4.111 -5.510 1.00 0.00 H new ATOM 0 HA TYR A 65 11.080 3.544 -8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.636 5.499 -8.125 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.664 6.170 -6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.999 4.937 -10.415 1.00 0.00 H new ATOM 0 HD2 TYR A 65 12.139 7.852 -7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.309 6.117 -12.123 1.00 0.00 H new ATOM 0 HE2 TYR A 65 13.444 9.038 -9.231 1.00 0.00 H new ATOM 0 HH TYR A 65 14.105 9.103 -11.338 1.00 0.00 H new ATOM 103 N GLN A 66 12.987 4.192 -5.836 1.00 0.00 N ATOM 104 CA GLN A 66 14.369 4.251 -5.373 1.00 0.00 C ATOM 105 C GLN A 66 14.931 2.849 -5.158 1.00 0.00 C ATOM 106 O GLN A 66 15.786 2.638 -4.298 1.00 0.00 O ATOM 107 CB GLN A 66 14.459 5.053 -4.074 1.00 0.00 C ATOM 108 CG GLN A 66 13.551 4.532 -2.972 1.00 0.00 C ATOM 109 CD GLN A 66 13.805 5.207 -1.638 1.00 0.00 C ATOM 110 OE1 GLN A 66 14.089 4.545 -0.639 1.00 0.00 O ATOM 111 NE2 GLN A 66 13.704 6.530 -1.615 1.00 0.00 N ATOM 0 H GLN A 66 12.295 4.104 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 66 14.963 4.747 -6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 66 15.490 5.040 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.206 6.093 -4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.511 4.686 -3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.696 3.457 -2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.466 7.038 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.864 7.039 -0.745 1.00 0.00 H new ATOM 120 N ILE A 67 14.446 1.896 -5.946 1.00 0.00 N ATOM 121 CA ILE A 67 14.901 0.515 -5.843 1.00 0.00 C ATOM 122 C ILE A 67 15.319 -0.030 -7.204 1.00 0.00 C ATOM 123 O ILE A 67 14.587 0.066 -8.190 1.00 0.00 O ATOM 124 CB ILE A 67 13.808 -0.395 -5.251 1.00 0.00 C ATOM 125 CG1 ILE A 67 13.570 -0.052 -3.779 1.00 0.00 C ATOM 126 CG2 ILE A 67 14.198 -1.858 -5.403 1.00 0.00 C ATOM 127 CD1 ILE A 67 14.771 -0.309 -2.897 1.00 0.00 C ATOM 0 H ILE A 67 13.738 2.055 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 67 15.763 0.516 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 67 12.880 -0.227 -5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.289 0.998 -3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.727 -0.636 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.416 -2.489 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 67 14.322 -2.094 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.135 -2.041 -4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.530 -0.043 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.039 -1.364 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 67 15.611 0.295 -3.240 1.00 0.00 H new ATOM 139 N PRO A 68 16.523 -0.617 -7.262 1.00 0.00 N ATOM 140 CA PRO A 68 17.403 -0.736 -6.096 1.00 0.00 C ATOM 141 C PRO A 68 17.972 0.609 -5.659 1.00 0.00 C ATOM 142 O PRO A 68 17.903 0.972 -4.484 1.00 0.00 O ATOM 143 CB PRO A 68 18.523 -1.656 -6.589 1.00 0.00 C ATOM 144 CG PRO A 68 18.544 -1.469 -8.067 1.00 0.00 C ATOM 145 CD PRO A 68 17.119 -1.210 -8.471 1.00 0.00 C ATOM 0 HA PRO A 68 16.873 -1.117 -5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.481 -1.388 -6.142 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.327 -2.695 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 68 19.187 -0.634 -8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.937 -2.354 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.060 -0.532 -9.322 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.610 -2.129 -8.760 1.00 0.00 H new ATOM 153 N TYR A 69 18.533 1.346 -6.611 1.00 0.00 N ATOM 154 CA TYR A 69 19.115 2.652 -6.324 1.00 0.00 C ATOM 155 C TYR A 69 18.776 3.654 -7.423 1.00 0.00 C ATOM 156 O TYR A 69 18.801 3.325 -8.610 1.00 0.00 O ATOM 157 CB TYR A 69 20.633 2.535 -6.177 1.00 0.00 C ATOM 158 CG TYR A 69 21.353 2.309 -7.487 1.00 0.00 C ATOM 159 CD1 TYR A 69 21.378 1.053 -8.081 1.00 0.00 C ATOM 160 CD2 TYR A 69 22.010 3.350 -8.131 1.00 0.00 C ATOM 161 CE1 TYR A 69 22.035 0.841 -9.277 1.00 0.00 C ATOM 162 CE2 TYR A 69 22.668 3.148 -9.328 1.00 0.00 C ATOM 163 CZ TYR A 69 22.678 1.892 -9.897 1.00 0.00 C ATOM 164 OH TYR A 69 23.334 1.686 -11.089 1.00 0.00 O ATOM 0 H TYR A 69 18.597 1.061 -7.588 1.00 0.00 H new ATOM 0 HA TYR A 69 18.691 3.012 -5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 69 21.016 3.444 -5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.862 1.712 -5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.875 0.228 -7.599 1.00 0.00 H new ATOM 0 HD2 TYR A 69 22.006 4.335 -7.688 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.045 -0.142 -9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.172 3.969 -9.816 1.00 0.00 H new ATOM 0 HH TYR A 69 23.733 2.528 -11.393 1.00 0.00 H new ATOM 174 N THR A 70 18.458 4.880 -7.020 1.00 0.00 N ATOM 175 CA THR A 70 18.112 5.931 -7.968 1.00 0.00 C ATOM 176 C THR A 70 19.255 6.928 -8.124 1.00 0.00 C ATOM 177 O THR A 70 20.102 7.080 -7.244 1.00 0.00 O ATOM 178 CB THR A 70 16.843 6.687 -7.531 1.00 0.00 C ATOM 179 OG1 THR A 70 16.565 6.422 -6.152 1.00 0.00 O ATOM 180 CG2 THR A 70 15.650 6.277 -8.382 1.00 0.00 C ATOM 0 H THR A 70 18.433 5.169 -6.042 1.00 0.00 H new ATOM 0 HA THR A 70 17.924 5.444 -8.925 1.00 0.00 H new ATOM 0 HB THR A 70 17.017 7.754 -7.667 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.758 6.908 -5.882 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.765 6.823 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.853 6.507 -9.428 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.476 5.207 -8.273 1.00 0.00 H new ATOM 188 N PRO A 71 19.280 7.625 -9.270 1.00 0.00 N ATOM 189 CA PRO A 71 20.314 8.621 -9.567 1.00 0.00 C ATOM 190 C PRO A 71 20.186 9.867 -8.698 1.00 0.00 C ATOM 191 O PRO A 71 21.181 10.392 -8.198 1.00 0.00 O ATOM 192 CB PRO A 71 20.061 8.966 -11.037 1.00 0.00 C ATOM 193 CG PRO A 71 18.619 8.663 -11.255 1.00 0.00 C ATOM 194 CD PRO A 71 18.302 7.495 -10.363 1.00 0.00 C ATOM 0 HA PRO A 71 21.316 8.240 -9.370 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.280 10.014 -11.241 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.694 8.373 -11.697 1.00 0.00 H new ATOM 0 HG2 PRO A 71 17.998 9.523 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 71 18.425 8.420 -12.300 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.278 7.538 -9.993 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.411 6.547 -10.889 1.00 0.00 H new ATOM 202 N SER A 72 18.955 10.335 -8.521 1.00 0.00 N ATOM 203 CA SER A 72 18.697 11.522 -7.714 1.00 0.00 C ATOM 204 C SER A 72 19.289 11.368 -6.316 1.00 0.00 C ATOM 205 O SER A 72 19.792 12.328 -5.734 1.00 0.00 O ATOM 206 CB SER A 72 17.192 11.783 -7.617 1.00 0.00 C ATOM 207 OG SER A 72 16.542 10.751 -6.896 1.00 0.00 O ATOM 0 H SER A 72 18.120 9.910 -8.925 1.00 0.00 H new ATOM 0 HA SER A 72 19.175 12.372 -8.201 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.016 12.740 -7.126 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.767 11.855 -8.618 1.00 0.00 H new ATOM 0 HG SER A 72 15.582 10.941 -6.846 1.00 0.00 H new ATOM 213 N GLU A 73 19.223 10.152 -5.783 1.00 0.00 N ATOM 214 CA GLU A 73 19.752 9.871 -4.453 1.00 0.00 C ATOM 215 C GLU A 73 21.271 10.009 -4.432 1.00 0.00 C ATOM 216 O GLU A 73 21.830 10.706 -3.584 1.00 0.00 O ATOM 217 CB GLU A 73 19.350 8.464 -4.007 1.00 0.00 C ATOM 218 CG GLU A 73 17.871 8.166 -4.191 1.00 0.00 C ATOM 219 CD GLU A 73 16.988 9.030 -3.312 1.00 0.00 C ATOM 220 OE1 GLU A 73 17.455 9.446 -2.231 1.00 0.00 O ATOM 221 OE2 GLU A 73 15.832 9.289 -3.704 1.00 0.00 O ATOM 0 H GLU A 73 18.809 9.346 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 73 19.329 10.598 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.932 7.734 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.610 8.337 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.600 8.321 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.685 7.116 -3.966 1.00 0.00 H new ATOM 228 N LEU A 74 21.934 9.340 -5.369 1.00 0.00 N ATOM 229 CA LEU A 74 23.389 9.387 -5.458 1.00 0.00 C ATOM 230 C LEU A 74 23.877 10.819 -5.652 1.00 0.00 C ATOM 231 O LEU A 74 24.743 11.294 -4.918 1.00 0.00 O ATOM 232 CB LEU A 74 23.877 8.510 -6.612 1.00 0.00 C ATOM 233 CG LEU A 74 23.418 7.051 -6.587 1.00 0.00 C ATOM 234 CD1 LEU A 74 24.116 6.253 -7.677 1.00 0.00 C ATOM 235 CD2 LEU A 74 23.678 6.433 -5.221 1.00 0.00 C ATOM 0 H LEU A 74 21.487 8.759 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 74 23.798 9.007 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.545 8.958 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 74 24.967 8.527 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 74 22.345 7.025 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.777 5.218 -7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 74 23.878 6.682 -8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 74 25.194 6.287 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.345 5.395 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 74 24.745 6.472 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.130 6.989 -4.460 1.00 0.00 H new ATOM 247 N GLU A 75 23.313 11.502 -6.643 1.00 0.00 N ATOM 248 CA GLU A 75 23.690 12.881 -6.931 1.00 0.00 C ATOM 249 C GLU A 75 23.417 13.782 -5.730 1.00 0.00 C ATOM 250 O GLU A 75 24.215 14.663 -5.409 1.00 0.00 O ATOM 251 CB GLU A 75 22.928 13.397 -8.153 1.00 0.00 C ATOM 252 CG GLU A 75 23.146 12.562 -9.404 1.00 0.00 C ATOM 253 CD GLU A 75 24.462 12.872 -10.090 1.00 0.00 C ATOM 254 OE1 GLU A 75 24.921 14.030 -9.999 1.00 0.00 O ATOM 255 OE2 GLU A 75 25.033 11.956 -10.719 1.00 0.00 O ATOM 0 H GLU A 75 22.594 11.123 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 75 24.759 12.901 -7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.863 13.420 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.233 14.424 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.118 11.505 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.327 12.738 -10.101 1.00 0.00 H new ATOM 262 N GLU A 76 22.285 13.555 -5.072 1.00 0.00 N ATOM 263 CA GLU A 76 21.906 14.347 -3.908 1.00 0.00 C ATOM 264 C GLU A 76 22.846 14.076 -2.737 1.00 0.00 C ATOM 265 O GLU A 76 23.155 14.975 -1.953 1.00 0.00 O ATOM 266 CB GLU A 76 20.464 14.039 -3.501 1.00 0.00 C ATOM 267 CG GLU A 76 20.048 14.691 -2.193 1.00 0.00 C ATOM 268 CD GLU A 76 18.562 14.561 -1.923 1.00 0.00 C ATOM 269 OE1 GLU A 76 17.785 15.359 -2.489 1.00 0.00 O ATOM 270 OE2 GLU A 76 18.175 13.664 -1.146 1.00 0.00 O ATOM 0 H GLU A 76 21.614 12.829 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 76 21.982 15.401 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.793 14.372 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.343 12.959 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.604 14.237 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.318 15.747 -2.216 1.00 0.00 H new ATOM 277 N LEU A 77 23.297 12.832 -2.623 1.00 0.00 N ATOM 278 CA LEU A 77 24.202 12.441 -1.548 1.00 0.00 C ATOM 279 C LEU A 77 25.555 13.128 -1.698 1.00 0.00 C ATOM 280 O LEU A 77 26.042 13.770 -0.768 1.00 0.00 O ATOM 281 CB LEU A 77 24.386 10.923 -1.536 1.00 0.00 C ATOM 282 CG LEU A 77 24.443 10.264 -0.158 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.551 10.881 0.683 1.00 0.00 C ATOM 284 CD2 LEU A 77 23.102 10.389 0.550 1.00 0.00 C ATOM 0 H LEU A 77 23.051 12.076 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 77 23.760 12.754 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.567 10.474 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.307 10.685 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 77 24.663 9.205 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.577 10.400 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.509 10.739 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.362 11.947 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.162 9.914 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 77 22.852 11.443 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.330 9.900 -0.044 1.00 0.00 H new ATOM 296 N GLN A 78 26.156 12.989 -2.875 1.00 0.00 N ATOM 297 CA GLN A 78 27.453 13.597 -3.147 1.00 0.00 C ATOM 298 C GLN A 78 27.388 15.112 -2.984 1.00 0.00 C ATOM 299 O GLN A 78 28.242 15.713 -2.333 1.00 0.00 O ATOM 300 CB GLN A 78 27.920 13.244 -4.560 1.00 0.00 C ATOM 301 CG GLN A 78 26.906 13.587 -5.640 1.00 0.00 C ATOM 302 CD GLN A 78 27.283 13.022 -6.995 1.00 0.00 C ATOM 303 OE1 GLN A 78 26.816 11.951 -7.386 1.00 0.00 O ATOM 304 NE2 GLN A 78 28.131 13.740 -7.721 1.00 0.00 N ATOM 0 H GLN A 78 25.766 12.461 -3.655 1.00 0.00 H new ATOM 0 HA GLN A 78 28.169 13.202 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.852 13.770 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.140 12.177 -4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.928 13.203 -5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.814 14.670 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 78 28.493 14.622 -7.358 1.00 0.00 H new ATOM 0 HE22 GLN A 78 28.420 13.410 -8.642 1.00 0.00 H new ATOM 313 N GLN A 79 26.370 15.724 -3.581 1.00 0.00 N ATOM 314 CA GLN A 79 26.195 17.169 -3.503 1.00 0.00 C ATOM 315 C GLN A 79 26.081 17.626 -2.052 1.00 0.00 C ATOM 316 O GLN A 79 26.709 18.603 -1.648 1.00 0.00 O ATOM 317 CB GLN A 79 24.951 17.597 -4.284 1.00 0.00 C ATOM 318 CG GLN A 79 25.219 17.861 -5.757 1.00 0.00 C ATOM 319 CD GLN A 79 26.102 19.072 -5.982 1.00 0.00 C ATOM 320 OE1 GLN A 79 25.632 20.210 -5.955 1.00 0.00 O ATOM 321 NE2 GLN A 79 27.389 18.834 -6.205 1.00 0.00 N ATOM 0 H GLN A 79 25.654 15.241 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 79 27.073 17.640 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.191 16.821 -4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.540 18.499 -3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.692 16.984 -6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.271 18.006 -6.274 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.735 17.875 -6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 79 28.031 19.610 -6.363 1.00 0.00 H new ATOM 330 N ASN A 80 25.274 16.912 -1.274 1.00 0.00 N ATOM 331 CA ASN A 80 25.076 17.244 0.132 1.00 0.00 C ATOM 332 C ASN A 80 26.369 17.063 0.921 1.00 0.00 C ATOM 333 O ASN A 80 26.619 17.774 1.895 1.00 0.00 O ATOM 334 CB ASN A 80 23.972 16.373 0.734 1.00 0.00 C ATOM 335 CG ASN A 80 22.586 16.924 0.460 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.359 18.131 0.542 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.651 16.040 0.132 1.00 0.00 N ATOM 0 H ASN A 80 24.747 16.100 -1.594 1.00 0.00 H new ATOM 0 HA ASN A 80 24.777 18.290 0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 80 24.046 15.365 0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.122 16.294 1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.700 16.352 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.884 15.049 0.076 1.00 0.00 H new ATOM 344 N ILE A 81 27.188 16.108 0.493 1.00 0.00 N ATOM 345 CA ILE A 81 28.456 15.834 1.158 1.00 0.00 C ATOM 346 C ILE A 81 29.413 17.014 1.023 1.00 0.00 C ATOM 347 O ILE A 81 29.900 17.549 2.019 1.00 0.00 O ATOM 348 CB ILE A 81 29.130 14.573 0.587 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.359 13.320 1.009 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.578 14.491 1.048 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.495 12.170 0.036 1.00 0.00 C ATOM 0 H ILE A 81 26.996 15.511 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 81 28.231 15.670 2.212 1.00 0.00 H new ATOM 0 HB ILE A 81 29.119 14.634 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.712 12.999 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.304 13.572 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 81 31.041 13.594 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.120 15.371 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.611 14.449 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 81 27.923 11.316 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.115 12.472 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.545 11.891 -0.053 1.00 0.00 H new ATOM 363 N LYS A 82 29.677 17.416 -0.215 1.00 0.00 N ATOM 364 CA LYS A 82 30.573 18.534 -0.482 1.00 0.00 C ATOM 365 C LYS A 82 29.942 19.853 -0.047 1.00 0.00 C ATOM 366 O LYS A 82 30.643 20.833 0.210 1.00 0.00 O ATOM 367 CB LYS A 82 30.922 18.591 -1.971 1.00 0.00 C ATOM 368 CG LYS A 82 29.709 18.523 -2.883 1.00 0.00 C ATOM 369 CD LYS A 82 29.874 17.456 -3.953 1.00 0.00 C ATOM 370 CE LYS A 82 31.027 17.781 -4.891 1.00 0.00 C ATOM 371 NZ LYS A 82 30.733 18.968 -5.741 1.00 0.00 N ATOM 0 H LYS A 82 29.283 16.984 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 82 31.486 18.380 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.467 19.513 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.593 17.766 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 82 28.819 18.311 -2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.554 19.493 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 82 30.049 16.489 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 82 28.951 17.368 -4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 82 31.929 17.967 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.231 16.920 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 30.732 18.686 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 29.800 19.353 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 31.461 19.695 -5.586 1.00 0.00 H new ATOM 385 N LEU A 83 28.617 19.870 0.036 1.00 0.00 N ATOM 386 CA LEU A 83 27.891 21.069 0.443 1.00 0.00 C ATOM 387 C LEU A 83 27.850 21.191 1.963 1.00 0.00 C ATOM 388 O LEU A 83 27.762 22.293 2.504 1.00 0.00 O ATOM 389 CB LEU A 83 26.468 21.041 -0.117 1.00 0.00 C ATOM 390 CG LEU A 83 26.315 21.446 -1.583 1.00 0.00 C ATOM 391 CD1 LEU A 83 24.936 21.068 -2.101 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.559 22.939 -1.753 1.00 0.00 C ATOM 0 H LEU A 83 28.023 19.068 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 83 28.416 21.936 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.071 20.033 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 83 25.848 21.702 0.488 1.00 0.00 H new ATOM 0 HG LEU A 83 27.061 20.907 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.846 21.364 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.798 19.990 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.174 21.578 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.446 23.209 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.837 23.496 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.569 23.183 -1.423 1.00 0.00 H new ATOM 404 N GLU A 84 27.916 20.052 2.645 1.00 0.00 N ATOM 405 CA GLU A 84 27.888 20.033 4.103 1.00 0.00 C ATOM 406 C GLU A 84 29.270 19.722 4.670 1.00 0.00 C ATOM 407 O GLU A 84 29.964 20.610 5.167 1.00 0.00 O ATOM 408 CB GLU A 84 26.875 18.999 4.602 1.00 0.00 C ATOM 409 CG GLU A 84 25.430 19.386 4.337 1.00 0.00 C ATOM 410 CD GLU A 84 24.497 18.952 5.451 1.00 0.00 C ATOM 411 OE1 GLU A 84 24.857 18.015 6.194 1.00 0.00 O ATOM 412 OE2 GLU A 84 23.407 19.549 5.579 1.00 0.00 O ATOM 0 H GLU A 84 27.989 19.131 2.212 1.00 0.00 H new ATOM 0 HA GLU A 84 27.587 21.022 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.080 18.042 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.013 18.855 5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.364 20.467 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.104 18.937 3.399 1.00 0.00 H new ATOM 419 N LEU A 85 29.663 18.455 4.592 1.00 0.00 N ATOM 420 CA LEU A 85 30.963 18.025 5.097 1.00 0.00 C ATOM 421 C LEU A 85 32.085 18.872 4.505 1.00 0.00 C ATOM 422 O LEU A 85 31.892 19.561 3.504 1.00 0.00 O ATOM 423 CB LEU A 85 31.196 16.549 4.771 1.00 0.00 C ATOM 424 CG LEU A 85 30.461 15.542 5.657 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.734 15.825 7.126 1.00 0.00 C ATOM 426 CD2 LEU A 85 28.966 15.574 5.375 1.00 0.00 C ATOM 0 H LEU A 85 29.101 17.708 4.184 1.00 0.00 H new ATOM 0 HA LEU A 85 30.966 18.157 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.901 16.375 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.265 16.348 4.836 1.00 0.00 H new ATOM 0 HG LEU A 85 30.833 14.544 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.203 15.099 7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.804 15.750 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.391 16.830 7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.460 14.851 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.579 16.572 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.787 15.321 4.330 1.00 0.00 H new ATOM 438 N GLU A 86 33.257 18.812 5.129 1.00 0.00 N ATOM 439 CA GLU A 86 34.410 19.573 4.662 1.00 0.00 C ATOM 440 C GLU A 86 35.638 19.281 5.520 1.00 0.00 C ATOM 441 O GLU A 86 35.535 19.122 6.735 1.00 0.00 O ATOM 442 CB GLU A 86 34.103 21.071 4.683 1.00 0.00 C ATOM 443 CG GLU A 86 33.653 21.581 6.042 1.00 0.00 C ATOM 444 CD GLU A 86 34.781 22.220 6.828 1.00 0.00 C ATOM 445 OE1 GLU A 86 35.578 22.966 6.221 1.00 0.00 O ATOM 446 OE2 GLU A 86 34.867 21.975 8.049 1.00 0.00 O ATOM 0 H GLU A 86 33.433 18.245 5.958 1.00 0.00 H new ATOM 0 HA GLU A 86 34.624 19.268 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 86 34.993 21.620 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.326 21.284 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 86 32.852 22.308 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 86 33.238 20.753 6.617 1.00 0.00 H new ATOM 453 N GLY A 87 36.800 19.214 4.877 1.00 0.00 N ATOM 454 CA GLY A 87 38.031 18.941 5.596 1.00 0.00 C ATOM 455 C GLY A 87 38.078 17.531 6.150 1.00 0.00 C ATOM 456 O GLY A 87 37.542 17.260 7.225 1.00 0.00 O ATOM 0 H GLY A 87 36.911 19.344 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 87 38.879 19.095 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.136 19.653 6.414 1.00 0.00 H new ATOM 460 N LYS A 88 38.720 16.629 5.416 1.00 0.00 N ATOM 461 CA LYS A 88 38.836 15.239 5.839 1.00 0.00 C ATOM 462 C LYS A 88 37.475 14.675 6.232 1.00 0.00 C ATOM 463 O LYS A 88 37.375 13.841 7.131 1.00 0.00 O ATOM 464 CB LYS A 88 39.808 15.122 7.016 1.00 0.00 C ATOM 465 CG LYS A 88 40.923 14.117 6.786 1.00 0.00 C ATOM 466 CD LYS A 88 40.676 12.825 7.546 1.00 0.00 C ATOM 467 CE LYS A 88 41.602 11.714 7.074 1.00 0.00 C ATOM 468 NZ LYS A 88 41.480 11.476 5.609 1.00 0.00 N ATOM 0 H LYS A 88 39.169 16.836 4.524 1.00 0.00 H new ATOM 0 HA LYS A 88 39.221 14.660 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.247 16.100 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.252 14.837 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 88 41.007 13.903 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 88 41.873 14.549 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 88 40.824 12.995 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 88 39.639 12.516 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 88 42.633 11.973 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 88 41.370 10.795 7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 41.129 10.512 5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 40.815 12.163 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 42.412 11.587 5.160 1.00 0.00 H new ATOM 482 N GLU A 89 36.430 15.134 5.551 1.00 0.00 N ATOM 483 CA GLU A 89 35.074 14.674 5.830 1.00 0.00 C ATOM 484 C GLU A 89 34.304 14.433 4.534 1.00 0.00 C ATOM 485 O GLU A 89 33.756 13.352 4.319 1.00 0.00 O ATOM 486 CB GLU A 89 34.333 15.695 6.695 1.00 0.00 C ATOM 487 CG GLU A 89 34.655 15.587 8.175 1.00 0.00 C ATOM 488 CD GLU A 89 33.723 14.641 8.908 1.00 0.00 C ATOM 489 OE1 GLU A 89 34.042 13.436 8.984 1.00 0.00 O ATOM 490 OE2 GLU A 89 32.676 15.106 9.405 1.00 0.00 O ATOM 0 H GLU A 89 36.496 15.824 4.802 1.00 0.00 H new ATOM 0 HA GLU A 89 35.142 13.731 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 89 34.581 16.699 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.260 15.566 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 89 35.683 15.244 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 89 34.594 16.576 8.629 1.00 0.00 H new ATOM 497 N GLN A 90 34.268 15.448 3.677 1.00 0.00 N ATOM 498 CA GLN A 90 33.564 15.347 2.404 1.00 0.00 C ATOM 499 C GLN A 90 34.329 14.461 1.427 1.00 0.00 C ATOM 500 O GLN A 90 33.732 13.701 0.666 1.00 0.00 O ATOM 501 CB GLN A 90 33.360 16.737 1.799 1.00 0.00 C ATOM 502 CG GLN A 90 34.656 17.498 1.572 1.00 0.00 C ATOM 503 CD GLN A 90 34.444 18.806 0.836 1.00 0.00 C ATOM 504 OE1 GLN A 90 34.994 19.020 -0.245 1.00 0.00 O ATOM 505 NE2 GLN A 90 33.643 19.691 1.419 1.00 0.00 N ATOM 0 H GLN A 90 34.718 16.349 3.841 1.00 0.00 H new ATOM 0 HA GLN A 90 32.591 14.893 2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 90 32.836 16.637 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.717 17.320 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.128 17.699 2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.345 16.873 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 90 33.208 19.472 2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 90 33.463 20.589 0.970 1.00 0.00 H new ATOM 514 N GLU A 91 35.655 14.565 1.456 1.00 0.00 N ATOM 515 CA GLU A 91 36.501 13.773 0.571 1.00 0.00 C ATOM 516 C GLU A 91 36.251 12.281 0.770 1.00 0.00 C ATOM 517 O GLU A 91 36.119 11.527 -0.195 1.00 0.00 O ATOM 518 CB GLU A 91 37.977 14.091 0.821 1.00 0.00 C ATOM 519 CG GLU A 91 38.351 14.125 2.293 1.00 0.00 C ATOM 520 CD GLU A 91 39.091 15.392 2.678 1.00 0.00 C ATOM 521 OE1 GLU A 91 38.483 16.480 2.604 1.00 0.00 O ATOM 522 OE2 GLU A 91 40.278 15.294 3.054 1.00 0.00 O ATOM 0 H GLU A 91 36.165 15.189 2.082 1.00 0.00 H new ATOM 0 HA GLU A 91 36.249 14.032 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.591 13.346 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.213 15.056 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 91 37.447 14.039 2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 91 38.973 13.261 2.526 1.00 0.00 H new ATOM 529 N LEU A 92 36.186 11.861 2.029 1.00 0.00 N ATOM 530 CA LEU A 92 35.952 10.458 2.356 1.00 0.00 C ATOM 531 C LEU A 92 34.611 9.987 1.804 1.00 0.00 C ATOM 532 O LEU A 92 34.539 8.990 1.086 1.00 0.00 O ATOM 533 CB LEU A 92 35.993 10.255 3.872 1.00 0.00 C ATOM 534 CG LEU A 92 37.384 10.187 4.503 1.00 0.00 C ATOM 535 CD1 LEU A 92 38.196 9.059 3.885 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.107 11.516 4.343 1.00 0.00 C ATOM 0 H LEU A 92 36.292 12.471 2.840 1.00 0.00 H new ATOM 0 HA LEU A 92 36.742 9.865 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.442 11.069 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 92 35.463 9.333 4.109 1.00 0.00 H new ATOM 0 HG LEU A 92 37.270 9.984 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 92 39.183 9.026 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 92 37.686 8.110 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 92 38.302 9.231 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.095 11.450 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.210 11.749 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 92 37.534 12.303 4.833 1.00 0.00 H new ATOM 548 N ALA A 93 33.549 10.712 2.143 1.00 0.00 N ATOM 549 CA ALA A 93 32.211 10.370 1.678 1.00 0.00 C ATOM 550 C ALA A 93 32.140 10.379 0.155 1.00 0.00 C ATOM 551 O ALA A 93 31.738 9.393 -0.464 1.00 0.00 O ATOM 552 CB ALA A 93 31.188 11.334 2.262 1.00 0.00 C ATOM 0 H ALA A 93 33.590 11.540 2.738 1.00 0.00 H new ATOM 0 HA ALA A 93 31.981 9.361 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.193 11.067 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.213 11.275 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.425 12.350 1.948 1.00 0.00 H new ATOM 558 N LEU A 94 32.532 11.498 -0.444 1.00 0.00 N ATOM 559 CA LEU A 94 32.512 11.636 -1.896 1.00 0.00 C ATOM 560 C LEU A 94 33.374 10.564 -2.557 1.00 0.00 C ATOM 561 O LEU A 94 33.056 10.081 -3.643 1.00 0.00 O ATOM 562 CB LEU A 94 33.006 13.025 -2.303 1.00 0.00 C ATOM 563 CG LEU A 94 31.944 14.124 -2.362 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.481 15.417 -1.766 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.485 14.346 -3.795 1.00 0.00 C ATOM 0 H LEU A 94 32.868 12.323 0.053 1.00 0.00 H new ATOM 0 HA LEU A 94 31.483 11.509 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.781 13.333 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.476 12.949 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 94 31.085 13.805 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.712 16.188 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 94 32.760 15.250 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.357 15.741 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.729 15.131 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 94 32.336 14.644 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 94 31.060 13.422 -4.188 1.00 0.00 H new ATOM 577 N GLU A 95 34.464 10.196 -1.891 1.00 0.00 N ATOM 578 CA GLU A 95 35.370 9.180 -2.414 1.00 0.00 C ATOM 579 C GLU A 95 34.645 7.851 -2.608 1.00 0.00 C ATOM 580 O GLU A 95 34.586 7.319 -3.717 1.00 0.00 O ATOM 581 CB GLU A 95 36.560 8.991 -1.470 1.00 0.00 C ATOM 582 CG GLU A 95 37.521 7.900 -1.912 1.00 0.00 C ATOM 583 CD GLU A 95 38.476 8.367 -2.992 1.00 0.00 C ATOM 584 OE1 GLU A 95 38.134 9.331 -3.710 1.00 0.00 O ATOM 585 OE2 GLU A 95 39.565 7.770 -3.121 1.00 0.00 O ATOM 0 H GLU A 95 34.741 10.585 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 95 35.734 9.520 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 95 37.104 9.932 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.188 8.754 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 95 38.093 7.554 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 95 36.952 7.047 -2.280 1.00 0.00 H new ATOM 592 N LEU A 96 34.094 7.321 -1.521 1.00 0.00 N ATOM 593 CA LEU A 96 33.372 6.055 -1.570 1.00 0.00 C ATOM 594 C LEU A 96 32.178 6.144 -2.515 1.00 0.00 C ATOM 595 O LEU A 96 31.852 5.184 -3.213 1.00 0.00 O ATOM 596 CB LEU A 96 32.900 5.660 -0.169 1.00 0.00 C ATOM 597 CG LEU A 96 32.143 4.335 -0.065 1.00 0.00 C ATOM 598 CD1 LEU A 96 33.035 3.257 0.529 1.00 0.00 C ATOM 599 CD2 LEU A 96 30.882 4.506 0.770 1.00 0.00 C ATOM 0 H LEU A 96 34.134 7.748 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 96 34.053 5.292 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.770 5.611 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.258 6.453 0.214 1.00 0.00 H new ATOM 0 HG LEU A 96 31.851 4.025 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 96 32.480 2.321 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.909 3.116 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 96 33.357 3.559 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.356 3.554 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 96 31.152 4.839 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.234 5.248 0.303 1.00 0.00 H new ATOM 611 N LEU A 97 31.531 7.304 -2.534 1.00 0.00 N ATOM 612 CA LEU A 97 30.374 7.521 -3.396 1.00 0.00 C ATOM 613 C LEU A 97 30.758 7.389 -4.866 1.00 0.00 C ATOM 614 O LEU A 97 30.122 6.654 -5.620 1.00 0.00 O ATOM 615 CB LEU A 97 29.772 8.903 -3.136 1.00 0.00 C ATOM 616 CG LEU A 97 28.272 9.042 -3.400 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.748 10.349 -2.824 1.00 0.00 C ATOM 618 CD2 LEU A 97 27.984 8.961 -4.892 1.00 0.00 C ATOM 0 H LEU A 97 31.788 8.109 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 97 29.631 6.758 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 97 29.964 9.171 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.298 9.629 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 97 27.757 8.218 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.679 10.431 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 97 27.921 10.368 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.268 11.186 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.912 9.062 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.510 9.764 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.323 7.999 -5.276 1.00 0.00 H new ATOM 630 N ASN A 98 31.803 8.106 -5.266 1.00 0.00 N ATOM 631 CA ASN A 98 32.273 8.067 -6.646 1.00 0.00 C ATOM 632 C ASN A 98 32.935 6.729 -6.958 1.00 0.00 C ATOM 633 O ASN A 98 32.910 6.263 -8.098 1.00 0.00 O ATOM 634 CB ASN A 98 33.259 9.209 -6.903 1.00 0.00 C ATOM 635 CG ASN A 98 33.671 9.300 -8.360 1.00 0.00 C ATOM 636 OD1 ASN A 98 34.331 8.404 -8.887 1.00 0.00 O ATOM 637 ND2 ASN A 98 33.283 10.386 -9.018 1.00 0.00 N ATOM 0 H ASN A 98 32.340 8.721 -4.655 1.00 0.00 H new ATOM 0 HA ASN A 98 31.410 8.186 -7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 98 32.806 10.152 -6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 98 34.146 9.066 -6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 98 33.531 10.503 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 98 32.737 11.103 -8.541 1.00 0.00 H new ATOM 644 N TYR A 99 33.526 6.115 -5.939 1.00 0.00 N ATOM 645 CA TYR A 99 34.196 4.831 -6.104 1.00 0.00 C ATOM 646 C TYR A 99 33.192 3.731 -6.435 1.00 0.00 C ATOM 647 O TYR A 99 33.456 2.863 -7.268 1.00 0.00 O ATOM 648 CB TYR A 99 34.967 4.467 -4.834 1.00 0.00 C ATOM 649 CG TYR A 99 36.453 4.727 -4.933 1.00 0.00 C ATOM 650 CD1 TYR A 99 36.941 6.010 -5.152 1.00 0.00 C ATOM 651 CD2 TYR A 99 37.370 3.691 -4.808 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.298 6.253 -5.244 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.729 3.924 -4.896 1.00 0.00 C ATOM 654 CZ TYR A 99 39.188 5.207 -5.115 1.00 0.00 C ATOM 655 OH TYR A 99 40.540 5.443 -5.205 1.00 0.00 O ATOM 0 H TYR A 99 33.555 6.486 -4.989 1.00 0.00 H new ATOM 0 HA TYR A 99 34.897 4.920 -6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.562 5.036 -3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.805 3.413 -4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 99 36.247 6.832 -5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 99 37.014 2.685 -4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 99 38.660 7.256 -5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 99 39.428 3.107 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 99 41.027 4.600 -5.091 1.00 0.00 H new ATOM 665 N LEU A 100 32.039 3.774 -5.778 1.00 0.00 N ATOM 666 CA LEU A 100 30.993 2.783 -6.002 1.00 0.00 C ATOM 667 C LEU A 100 29.612 3.381 -5.750 1.00 0.00 C ATOM 668 O LEU A 100 29.207 3.571 -4.604 1.00 0.00 O ATOM 669 CB LEU A 100 31.209 1.571 -5.094 1.00 0.00 C ATOM 670 CG LEU A 100 30.155 0.467 -5.186 1.00 0.00 C ATOM 671 CD1 LEU A 100 29.957 0.037 -6.631 1.00 0.00 C ATOM 672 CD2 LEU A 100 30.552 -0.723 -4.324 1.00 0.00 C ATOM 0 H LEU A 100 31.804 4.485 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 100 31.046 2.464 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.182 1.137 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 100 31.253 1.919 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 100 29.210 0.862 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 100 29.203 -0.749 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 100 29.627 0.891 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 100 30.899 -0.339 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 100 29.790 -1.499 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.508 -1.118 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 100 30.642 -0.406 -3.285 1.00 0.00 H new ATOM 684 N ASN A 101 28.894 3.674 -6.830 1.00 0.00 N ATOM 685 CA ASN A 101 27.558 4.249 -6.726 1.00 0.00 C ATOM 686 C ASN A 101 26.632 3.335 -5.930 1.00 0.00 C ATOM 687 O ASN A 101 25.638 3.785 -5.362 1.00 0.00 O ATOM 688 CB ASN A 101 26.976 4.494 -8.120 1.00 0.00 C ATOM 689 CG ASN A 101 27.346 5.859 -8.669 1.00 0.00 C ATOM 690 OD1 ASN A 101 27.756 6.750 -7.924 1.00 0.00 O ATOM 691 ND2 ASN A 101 27.201 6.029 -9.978 1.00 0.00 N ATOM 0 H ASN A 101 29.215 3.523 -7.786 1.00 0.00 H new ATOM 0 HA ASN A 101 27.639 5.200 -6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 101 27.334 3.722 -8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 101 25.891 4.404 -8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.433 6.926 -10.405 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.858 5.263 -10.557 1.00 0.00 H new ATOM 698 N GLU A 102 26.968 2.049 -5.893 1.00 0.00 N ATOM 699 CA GLU A 102 26.166 1.071 -5.167 1.00 0.00 C ATOM 700 C GLU A 102 26.454 1.136 -3.670 1.00 0.00 C ATOM 701 O GLU A 102 25.707 0.589 -2.858 1.00 0.00 O ATOM 702 CB GLU A 102 26.444 -0.339 -5.690 1.00 0.00 C ATOM 703 CG GLU A 102 25.670 -0.684 -6.952 1.00 0.00 C ATOM 704 CD GLU A 102 24.371 -1.410 -6.660 1.00 0.00 C ATOM 705 OE1 GLU A 102 24.409 -2.646 -6.484 1.00 0.00 O ATOM 706 OE2 GLU A 102 23.318 -0.742 -6.607 1.00 0.00 O ATOM 0 H GLU A 102 27.789 1.661 -6.357 1.00 0.00 H new ATOM 0 HA GLU A 102 25.115 1.309 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 102 27.511 -0.440 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 102 26.195 -1.061 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 102 25.454 0.231 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 102 26.292 -1.305 -7.597 1.00 0.00 H new ATOM 713 N LYS A 103 27.543 1.808 -3.311 1.00 0.00 N ATOM 714 CA LYS A 103 27.931 1.946 -1.913 1.00 0.00 C ATOM 715 C LYS A 103 27.861 3.404 -1.470 1.00 0.00 C ATOM 716 O LYS A 103 28.826 4.153 -1.613 1.00 0.00 O ATOM 717 CB LYS A 103 29.347 1.405 -1.699 1.00 0.00 C ATOM 718 CG LYS A 103 29.385 -0.066 -1.322 1.00 0.00 C ATOM 719 CD LYS A 103 30.776 -0.494 -0.885 1.00 0.00 C ATOM 720 CE LYS A 103 30.950 -0.370 0.621 1.00 0.00 C ATOM 721 NZ LYS A 103 30.033 -1.281 1.362 1.00 0.00 N ATOM 0 H LYS A 103 28.173 2.266 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 103 27.232 1.367 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 103 29.925 1.553 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.834 1.985 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 103 28.675 -0.254 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 103 29.068 -0.669 -2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 103 30.953 -1.526 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 103 31.522 0.119 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 103 31.982 -0.598 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 103 30.763 0.660 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 30.444 -1.508 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 29.113 -0.814 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 29.900 -2.157 0.818 1.00 0.00 H new ATOM 735 N GLY A 104 26.712 3.800 -0.930 1.00 0.00 N ATOM 736 CA GLY A 104 26.539 5.166 -0.473 1.00 0.00 C ATOM 737 C GLY A 104 25.132 5.438 0.020 1.00 0.00 C ATOM 738 O GLY A 104 24.843 5.293 1.208 1.00 0.00 O ATOM 0 H GLY A 104 25.898 3.199 -0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 104 27.248 5.370 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.774 5.851 -1.288 1.00 0.00 H new ATOM 742 N PHE A 105 24.253 5.837 -0.894 1.00 0.00 N ATOM 743 CA PHE A 105 22.868 6.133 -0.545 1.00 0.00 C ATOM 744 C PHE A 105 22.269 5.013 0.301 1.00 0.00 C ATOM 745 O PHE A 105 21.764 5.251 1.399 1.00 0.00 O ATOM 746 CB PHE A 105 22.033 6.334 -1.811 1.00 0.00 C ATOM 747 CG PHE A 105 20.553 6.364 -1.555 1.00 0.00 C ATOM 748 CD1 PHE A 105 20.013 7.261 -0.647 1.00 0.00 C ATOM 749 CD2 PHE A 105 19.703 5.497 -2.221 1.00 0.00 C ATOM 750 CE1 PHE A 105 18.652 7.290 -0.409 1.00 0.00 C ATOM 751 CE2 PHE A 105 18.341 5.522 -1.987 1.00 0.00 C ATOM 752 CZ PHE A 105 17.815 6.421 -1.080 1.00 0.00 C ATOM 0 H PHE A 105 24.475 5.963 -1.882 1.00 0.00 H new ATOM 0 HA PHE A 105 22.855 7.053 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.330 7.268 -2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 105 22.256 5.532 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.662 7.944 -0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 105 20.109 4.793 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.243 7.993 0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 105 17.689 4.840 -2.512 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.751 6.444 -0.896 1.00 0.00 H new ATOM 762 N LEU A 106 22.328 3.792 -0.218 1.00 0.00 N ATOM 763 CA LEU A 106 21.791 2.634 0.488 1.00 0.00 C ATOM 764 C LEU A 106 22.913 1.708 0.948 1.00 0.00 C ATOM 765 O LEU A 106 22.699 0.515 1.160 1.00 0.00 O ATOM 766 CB LEU A 106 20.820 1.868 -0.412 1.00 0.00 C ATOM 767 CG LEU A 106 21.435 1.183 -1.633 1.00 0.00 C ATOM 768 CD1 LEU A 106 20.700 -0.111 -1.946 1.00 0.00 C ATOM 769 CD2 LEU A 106 21.412 2.115 -2.836 1.00 0.00 C ATOM 0 H LEU A 106 22.742 3.578 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 106 21.256 2.992 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.318 1.111 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 106 20.052 2.561 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 106 22.473 0.942 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 106 21.152 -0.584 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 106 20.768 -0.784 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 106 19.652 0.107 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 106 21.854 1.611 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 106 20.382 2.388 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 106 21.984 3.015 -2.610 1.00 0.00 H new ATOM 781 N SER A 107 24.109 2.268 1.103 1.00 0.00 N ATOM 782 CA SER A 107 25.265 1.492 1.537 1.00 0.00 C ATOM 783 C SER A 107 24.958 0.734 2.825 1.00 0.00 C ATOM 784 O SER A 107 23.897 0.909 3.426 1.00 0.00 O ATOM 785 CB SER A 107 26.471 2.410 1.747 1.00 0.00 C ATOM 786 OG SER A 107 27.582 1.975 0.982 1.00 0.00 O ATOM 0 H SER A 107 24.302 3.255 0.935 1.00 0.00 H new ATOM 0 HA SER A 107 25.500 0.768 0.757 1.00 0.00 H new ATOM 0 HB2 SER A 107 26.209 3.430 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 107 26.738 2.429 2.804 1.00 0.00 H new ATOM 0 HG SER A 107 28.339 2.579 1.132 1.00 0.00 H new ATOM 792 N LYS A 108 25.895 -0.110 3.245 1.00 0.00 N ATOM 793 CA LYS A 108 25.728 -0.895 4.462 1.00 0.00 C ATOM 794 C LYS A 108 25.974 -0.039 5.700 1.00 0.00 C ATOM 795 O LYS A 108 25.954 1.190 5.631 1.00 0.00 O ATOM 796 CB LYS A 108 26.683 -2.091 4.457 1.00 0.00 C ATOM 797 CG LYS A 108 26.668 -2.876 3.157 1.00 0.00 C ATOM 798 CD LYS A 108 25.371 -3.649 2.988 1.00 0.00 C ATOM 799 CE LYS A 108 24.408 -2.925 2.059 1.00 0.00 C ATOM 800 NZ LYS A 108 22.991 -3.095 2.486 1.00 0.00 N ATOM 0 H LYS A 108 26.778 -0.268 2.760 1.00 0.00 H new ATOM 0 HA LYS A 108 24.701 -1.258 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.696 -1.737 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 108 26.420 -2.758 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 108 26.798 -2.193 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 108 27.510 -3.568 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 108 25.586 -4.641 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 108 24.902 -3.791 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 108 24.655 -1.864 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 108 24.529 -3.303 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 22.367 -2.587 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 22.747 -4.106 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 22.869 -2.711 3.445 1.00 0.00 H new ATOM 814 N SER A 109 26.208 -0.696 6.832 1.00 0.00 N ATOM 815 CA SER A 109 26.456 0.005 8.086 1.00 0.00 C ATOM 816 C SER A 109 27.740 0.826 8.004 1.00 0.00 C ATOM 817 O SER A 109 28.538 0.662 7.081 1.00 0.00 O ATOM 818 CB SER A 109 26.547 -0.992 9.243 1.00 0.00 C ATOM 819 OG SER A 109 25.337 -1.714 9.389 1.00 0.00 O ATOM 0 H SER A 109 26.231 -1.713 6.906 1.00 0.00 H new ATOM 0 HA SER A 109 25.622 0.684 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.369 -1.686 9.066 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.771 -0.461 10.168 1.00 0.00 H new ATOM 0 HG SER A 109 25.421 -2.346 10.134 1.00 0.00 H new ATOM 825 N VAL A 110 27.932 1.710 8.978 1.00 0.00 N ATOM 826 CA VAL A 110 29.119 2.557 9.018 1.00 0.00 C ATOM 827 C VAL A 110 30.392 1.718 9.034 1.00 0.00 C ATOM 828 O VAL A 110 31.330 1.985 8.284 1.00 0.00 O ATOM 829 CB VAL A 110 29.109 3.478 10.253 1.00 0.00 C ATOM 830 CG1 VAL A 110 30.271 4.458 10.197 1.00 0.00 C ATOM 831 CG2 VAL A 110 27.783 4.217 10.355 1.00 0.00 C ATOM 0 H VAL A 110 27.282 1.858 9.750 1.00 0.00 H new ATOM 0 HA VAL A 110 29.102 3.169 8.116 1.00 0.00 H new ATOM 0 HB VAL A 110 29.226 2.863 11.145 1.00 0.00 H new ATOM 0 HG11 VAL A 110 30.248 5.100 11.077 1.00 0.00 H new ATOM 0 HG12 VAL A 110 31.211 3.907 10.175 1.00 0.00 H new ATOM 0 HG13 VAL A 110 30.188 5.070 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 110 27.793 4.863 11.233 1.00 0.00 H new ATOM 0 HG22 VAL A 110 27.634 4.822 9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 110 26.971 3.496 10.445 1.00 0.00 H new ATOM 841 N GLU A 111 30.416 0.704 9.893 1.00 0.00 N ATOM 842 CA GLU A 111 31.575 -0.174 10.005 1.00 0.00 C ATOM 843 C GLU A 111 31.991 -0.703 8.636 1.00 0.00 C ATOM 844 O GLU A 111 33.179 -0.832 8.345 1.00 0.00 O ATOM 845 CB GLU A 111 31.268 -1.342 10.945 1.00 0.00 C ATOM 846 CG GLU A 111 30.996 -0.915 12.377 1.00 0.00 C ATOM 847 CD GLU A 111 30.553 -2.070 13.255 1.00 0.00 C ATOM 848 OE1 GLU A 111 31.429 -2.789 13.778 1.00 0.00 O ATOM 849 OE2 GLU A 111 29.328 -2.252 13.420 1.00 0.00 O ATOM 0 H GLU A 111 29.647 0.470 10.521 1.00 0.00 H new ATOM 0 HA GLU A 111 32.401 0.406 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.402 -1.885 10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 111 32.108 -2.036 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 111 31.898 -0.469 12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 111 30.226 -0.143 12.382 1.00 0.00 H new ATOM 856 N GLU A 112 31.003 -1.009 7.801 1.00 0.00 N ATOM 857 CA GLU A 112 31.267 -1.526 6.463 1.00 0.00 C ATOM 858 C GLU A 112 32.031 -0.505 5.626 1.00 0.00 C ATOM 859 O GLU A 112 33.157 -0.758 5.195 1.00 0.00 O ATOM 860 CB GLU A 112 29.955 -1.893 5.766 1.00 0.00 C ATOM 861 CG GLU A 112 29.720 -3.391 5.662 1.00 0.00 C ATOM 862 CD GLU A 112 30.877 -4.119 5.007 1.00 0.00 C ATOM 863 OE1 GLU A 112 31.056 -3.965 3.781 1.00 0.00 O ATOM 864 OE2 GLU A 112 31.604 -4.842 5.720 1.00 0.00 O ATOM 0 H GLU A 112 30.013 -0.908 8.027 1.00 0.00 H new ATOM 0 HA GLU A 112 31.881 -2.421 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.126 -1.440 6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 112 29.953 -1.463 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 112 29.557 -3.799 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 112 28.810 -3.573 5.090 1.00 0.00 H new ATOM 871 N ILE A 113 31.412 0.649 5.399 1.00 0.00 N ATOM 872 CA ILE A 113 32.033 1.708 4.615 1.00 0.00 C ATOM 873 C ILE A 113 33.412 2.062 5.163 1.00 0.00 C ATOM 874 O ILE A 113 34.371 2.217 4.407 1.00 0.00 O ATOM 875 CB ILE A 113 31.161 2.977 4.591 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.831 2.695 3.890 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.899 4.115 3.901 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.630 3.236 4.633 1.00 0.00 C ATOM 0 H ILE A 113 30.480 0.874 5.748 1.00 0.00 H new ATOM 0 HA ILE A 113 32.135 1.329 3.598 1.00 0.00 H new ATOM 0 HB ILE A 113 30.953 3.276 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 113 29.857 3.130 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 113 29.716 1.618 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.269 5.005 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.822 4.329 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.135 3.827 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 113 27.722 2.999 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.579 2.782 5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 113 28.722 4.317 4.735 1.00 0.00 H new ATOM 890 N SER A 114 33.503 2.186 6.483 1.00 0.00 N ATOM 891 CA SER A 114 34.764 2.524 7.134 1.00 0.00 C ATOM 892 C SER A 114 35.847 1.511 6.777 1.00 0.00 C ATOM 893 O SER A 114 36.959 1.882 6.401 1.00 0.00 O ATOM 894 CB SER A 114 34.580 2.578 8.652 1.00 0.00 C ATOM 895 OG SER A 114 35.385 1.606 9.298 1.00 0.00 O ATOM 0 H SER A 114 32.719 2.058 7.123 1.00 0.00 H new ATOM 0 HA SER A 114 35.077 3.506 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.840 3.571 9.018 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.532 2.411 8.901 1.00 0.00 H new ATOM 0 HG SER A 114 36.300 1.946 9.387 1.00 0.00 H new ATOM 901 N ASP A 115 35.514 0.230 6.898 1.00 0.00 N ATOM 902 CA ASP A 115 36.458 -0.838 6.588 1.00 0.00 C ATOM 903 C ASP A 115 36.845 -0.809 5.112 1.00 0.00 C ATOM 904 O ASP A 115 37.980 -1.119 4.752 1.00 0.00 O ATOM 905 CB ASP A 115 35.856 -2.198 6.943 1.00 0.00 C ATOM 906 CG ASP A 115 36.719 -2.977 7.916 1.00 0.00 C ATOM 907 OD1 ASP A 115 37.952 -2.776 7.908 1.00 0.00 O ATOM 908 OD2 ASP A 115 36.162 -3.786 8.686 1.00 0.00 O ATOM 0 H ASP A 115 34.598 -0.094 7.208 1.00 0.00 H new ATOM 0 HA ASP A 115 37.357 -0.680 7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 115 34.866 -2.052 7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 115 35.723 -2.782 6.032 1.00 0.00 H new ATOM 913 N VAL A 116 35.893 -0.435 4.263 1.00 0.00 N ATOM 914 CA VAL A 116 36.134 -0.366 2.827 1.00 0.00 C ATOM 915 C VAL A 116 36.994 0.842 2.471 1.00 0.00 C ATOM 916 O VAL A 116 37.793 0.796 1.535 1.00 0.00 O ATOM 917 CB VAL A 116 34.813 -0.292 2.039 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.083 -0.298 0.542 1.00 0.00 C ATOM 919 CG2 VAL A 116 33.896 -1.441 2.428 1.00 0.00 C ATOM 0 H VAL A 116 34.948 -0.175 4.545 1.00 0.00 H new ATOM 0 HA VAL A 116 36.662 -1.278 2.551 1.00 0.00 H new ATOM 0 HB VAL A 116 34.312 0.643 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.138 -0.245 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 116 35.699 0.562 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 116 35.606 -1.215 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 116 32.967 -1.373 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 116 34.387 -2.389 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 116 33.676 -1.386 3.494 1.00 0.00 H new ATOM 929 N LEU A 117 36.825 1.924 3.225 1.00 0.00 N ATOM 930 CA LEU A 117 37.585 3.146 2.990 1.00 0.00 C ATOM 931 C LEU A 117 38.848 3.174 3.846 1.00 0.00 C ATOM 932 O LEU A 117 39.634 4.120 3.779 1.00 0.00 O ATOM 933 CB LEU A 117 36.723 4.373 3.293 1.00 0.00 C ATOM 934 CG LEU A 117 36.625 5.415 2.179 1.00 0.00 C ATOM 935 CD1 LEU A 117 36.184 4.765 0.877 1.00 0.00 C ATOM 936 CD2 LEU A 117 35.665 6.529 2.573 1.00 0.00 C ATOM 0 H LEU A 117 36.168 1.979 4.004 1.00 0.00 H new ATOM 0 HA LEU A 117 37.878 3.166 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.716 4.034 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 117 37.119 4.859 4.184 1.00 0.00 H new ATOM 0 HG LEU A 117 37.613 5.850 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 117 36.120 5.522 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 117 36.909 4.004 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 117 35.207 4.302 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 117 35.608 7.262 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 117 34.675 6.110 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 117 36.024 7.014 3.481 1.00 0.00 H new ATOM 948 N ARG A 118 39.037 2.131 4.647 1.00 0.00 N ATOM 949 CA ARG A 118 40.205 2.036 5.515 1.00 0.00 C ATOM 950 C ARG A 118 40.275 3.228 6.464 1.00 0.00 C ATOM 951 O ARG A 118 41.335 3.539 7.008 1.00 0.00 O ATOM 952 CB ARG A 118 41.483 1.960 4.678 1.00 0.00 C ATOM 953 CG ARG A 118 41.629 0.660 3.904 1.00 0.00 C ATOM 954 CD ARG A 118 41.029 0.771 2.511 1.00 0.00 C ATOM 955 NE ARG A 118 42.002 1.250 1.533 1.00 0.00 N ATOM 956 CZ ARG A 118 42.991 0.503 1.054 1.00 0.00 C ATOM 957 NH1 ARG A 118 43.137 -0.750 1.462 1.00 0.00 N ATOM 958 NH2 ARG A 118 43.836 1.010 0.166 1.00 0.00 N ATOM 0 H ARG A 118 38.397 1.340 4.713 1.00 0.00 H new ATOM 0 HA ARG A 118 40.113 1.126 6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.498 2.794 3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.345 2.081 5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 118 42.684 0.398 3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 118 41.139 -0.147 4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 118 40.652 -0.203 2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 118 40.176 1.450 2.536 1.00 0.00 H new ATOM 0 HE ARG A 118 41.918 2.210 1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 118 42.489 -1.143 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 118 43.897 -1.321 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 118 43.727 1.974 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 118 44.595 0.436 -0.201 1.00 0.00 H new ATOM 972 N CYS A 119 39.140 3.890 6.658 1.00 0.00 N ATOM 973 CA CYS A 119 39.073 5.049 7.541 1.00 0.00 C ATOM 974 C CYS A 119 38.317 4.713 8.823 1.00 0.00 C ATOM 975 O CYS A 119 37.638 3.690 8.905 1.00 0.00 O ATOM 976 CB CYS A 119 38.396 6.221 6.829 1.00 0.00 C ATOM 977 SG CYS A 119 39.130 7.832 7.196 1.00 0.00 S ATOM 0 H CYS A 119 38.254 3.644 6.216 1.00 0.00 H new ATOM 0 HA CYS A 119 40.092 5.333 7.804 1.00 0.00 H new ATOM 0 HB2 CYS A 119 38.438 6.051 5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 119 37.342 6.242 7.108 1.00 0.00 H new ATOM 0 HG CYS A 119 38.216 8.753 7.118 1.00 0.00 H new ATOM 983 N SER A 120 38.442 5.581 9.822 1.00 0.00 N ATOM 984 CA SER A 120 37.775 5.374 11.102 1.00 0.00 C ATOM 985 C SER A 120 36.259 5.359 10.929 1.00 0.00 C ATOM 986 O SER A 120 35.707 6.110 10.125 1.00 0.00 O ATOM 987 CB SER A 120 38.176 6.468 12.093 1.00 0.00 C ATOM 988 OG SER A 120 39.531 6.329 12.487 1.00 0.00 O ATOM 0 H SER A 120 38.999 6.434 9.770 1.00 0.00 H new ATOM 0 HA SER A 120 38.088 4.406 11.494 1.00 0.00 H new ATOM 0 HB2 SER A 120 38.025 7.447 11.639 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.532 6.421 12.971 1.00 0.00 H new ATOM 0 HG SER A 120 39.763 7.041 13.119 1.00 0.00 H new ATOM 994 N VAL A 121 35.591 4.499 11.691 1.00 0.00 N ATOM 995 CA VAL A 121 34.139 4.386 11.624 1.00 0.00 C ATOM 996 C VAL A 121 33.465 5.659 12.122 1.00 0.00 C ATOM 997 O VAL A 121 32.500 6.135 11.526 1.00 0.00 O ATOM 998 CB VAL A 121 33.631 3.191 12.453 1.00 0.00 C ATOM 999 CG1 VAL A 121 32.111 3.138 12.436 1.00 0.00 C ATOM 1000 CG2 VAL A 121 34.223 1.891 11.931 1.00 0.00 C ATOM 0 H VAL A 121 36.032 3.870 12.362 1.00 0.00 H new ATOM 0 HA VAL A 121 33.881 4.228 10.577 1.00 0.00 H new ATOM 0 HB VAL A 121 33.955 3.323 13.485 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.770 2.288 13.027 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.710 4.059 12.860 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.762 3.030 11.409 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.854 1.057 12.528 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.930 1.750 10.891 1.00 0.00 H new ATOM 0 HG23 VAL A 121 35.310 1.933 12.000 1.00 0.00 H new ATOM 1010 N GLU A 122 33.982 6.206 13.219 1.00 0.00 N ATOM 1011 CA GLU A 122 33.429 7.425 13.797 1.00 0.00 C ATOM 1012 C GLU A 122 33.287 8.514 12.737 1.00 0.00 C ATOM 1013 O GLU A 122 32.228 9.125 12.600 1.00 0.00 O ATOM 1014 CB GLU A 122 34.317 7.922 14.939 1.00 0.00 C ATOM 1015 CG GLU A 122 35.790 8.002 14.575 1.00 0.00 C ATOM 1016 CD GLU A 122 36.674 8.280 15.775 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.541 9.369 16.371 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.498 7.407 16.119 1.00 0.00 O ATOM 0 H GLU A 122 34.782 5.824 13.724 1.00 0.00 H new ATOM 0 HA GLU A 122 32.439 7.194 14.190 1.00 0.00 H new ATOM 0 HB2 GLU A 122 33.975 8.909 15.251 1.00 0.00 H new ATOM 0 HB3 GLU A 122 34.199 7.258 15.795 1.00 0.00 H new ATOM 0 HG2 GLU A 122 36.097 7.064 14.112 1.00 0.00 H new ATOM 0 HG3 GLU A 122 35.935 8.787 13.832 1.00 0.00 H new ATOM 1025 N GLU A 123 34.362 8.750 11.992 1.00 0.00 N ATOM 1026 CA GLU A 123 34.357 9.766 10.946 1.00 0.00 C ATOM 1027 C GLU A 123 33.277 9.473 9.908 1.00 0.00 C ATOM 1028 O GLU A 123 32.457 10.335 9.589 1.00 0.00 O ATOM 1029 CB GLU A 123 35.726 9.837 10.267 1.00 0.00 C ATOM 1030 CG GLU A 123 36.433 11.168 10.459 1.00 0.00 C ATOM 1031 CD GLU A 123 37.270 11.207 11.723 1.00 0.00 C ATOM 1032 OE1 GLU A 123 38.386 10.647 11.711 1.00 0.00 O ATOM 1033 OE2 GLU A 123 36.810 11.797 12.722 1.00 0.00 O ATOM 0 H GLU A 123 35.247 8.252 12.093 1.00 0.00 H new ATOM 0 HA GLU A 123 34.139 10.728 11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.358 9.040 10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.603 9.651 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 123 37.072 11.363 9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 123 35.692 11.967 10.493 1.00 0.00 H new ATOM 1040 N LEU A 124 33.283 8.252 9.385 1.00 0.00 N ATOM 1041 CA LEU A 124 32.305 7.845 8.383 1.00 0.00 C ATOM 1042 C LEU A 124 30.884 7.991 8.917 1.00 0.00 C ATOM 1043 O LEU A 124 29.952 8.269 8.163 1.00 0.00 O ATOM 1044 CB LEU A 124 32.555 6.397 7.956 1.00 0.00 C ATOM 1045 CG LEU A 124 31.798 5.922 6.716 1.00 0.00 C ATOM 1046 CD1 LEU A 124 30.448 5.341 7.105 1.00 0.00 C ATOM 1047 CD2 LEU A 124 31.623 7.066 5.727 1.00 0.00 C ATOM 0 H LEU A 124 33.954 7.527 9.638 1.00 0.00 H new ATOM 0 HA LEU A 124 32.417 8.498 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 124 33.623 6.272 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 124 32.294 5.744 8.789 1.00 0.00 H new ATOM 0 HG LEU A 124 32.383 5.138 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 124 29.923 5.008 6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 124 30.596 4.494 7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.855 6.104 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 124 31.082 6.710 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 124 31.060 7.871 6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 124 32.602 7.437 5.423 1.00 0.00 H new ATOM 1059 N GLU A 125 30.727 7.803 10.224 1.00 0.00 N ATOM 1060 CA GLU A 125 29.419 7.915 10.859 1.00 0.00 C ATOM 1061 C GLU A 125 28.943 9.365 10.872 1.00 0.00 C ATOM 1062 O GLU A 125 27.785 9.653 10.566 1.00 0.00 O ATOM 1063 CB GLU A 125 29.473 7.373 12.289 1.00 0.00 C ATOM 1064 CG GLU A 125 28.871 8.313 13.320 1.00 0.00 C ATOM 1065 CD GLU A 125 28.761 7.679 14.693 1.00 0.00 C ATOM 1066 OE1 GLU A 125 29.783 7.637 15.410 1.00 0.00 O ATOM 1067 OE2 GLU A 125 27.654 7.225 15.051 1.00 0.00 O ATOM 0 H GLU A 125 31.488 7.573 10.863 1.00 0.00 H new ATOM 0 HA GLU A 125 28.711 7.323 10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 125 28.946 6.420 12.327 1.00 0.00 H new ATOM 0 HB3 GLU A 125 30.511 7.174 12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.483 9.213 13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 125 27.881 8.625 12.988 1.00 0.00 H new ATOM 1074 N LYS A 126 29.843 10.275 11.228 1.00 0.00 N ATOM 1075 CA LYS A 126 29.518 11.695 11.280 1.00 0.00 C ATOM 1076 C LYS A 126 29.116 12.212 9.903 1.00 0.00 C ATOM 1077 O LYS A 126 28.089 12.874 9.753 1.00 0.00 O ATOM 1078 CB LYS A 126 30.712 12.493 11.808 1.00 0.00 C ATOM 1079 CG LYS A 126 31.409 11.838 12.988 1.00 0.00 C ATOM 1080 CD LYS A 126 31.687 12.837 14.098 1.00 0.00 C ATOM 1081 CE LYS A 126 30.840 12.553 15.329 1.00 0.00 C ATOM 1082 NZ LYS A 126 30.961 13.633 16.347 1.00 0.00 N ATOM 0 H LYS A 126 30.805 10.054 11.485 1.00 0.00 H new ATOM 0 HA LYS A 126 28.674 11.825 11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 126 31.432 12.629 11.001 1.00 0.00 H new ATOM 0 HB3 LYS A 126 30.373 13.486 12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 126 30.790 11.028 13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 126 32.346 11.392 12.656 1.00 0.00 H new ATOM 0 HD2 LYS A 126 32.743 12.801 14.365 1.00 0.00 H new ATOM 0 HD3 LYS A 126 31.483 13.846 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 126 29.796 12.447 15.035 1.00 0.00 H new ATOM 0 HE3 LYS A 126 31.145 11.604 15.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 30.369 13.402 17.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 31.953 13.718 16.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 30.645 14.535 15.936 1.00 0.00 H new ATOM 1096 N VAL A 127 29.932 11.905 8.899 1.00 0.00 N ATOM 1097 CA VAL A 127 29.659 12.336 7.533 1.00 0.00 C ATOM 1098 C VAL A 127 28.364 11.725 7.012 1.00 0.00 C ATOM 1099 O VAL A 127 27.581 12.390 6.334 1.00 0.00 O ATOM 1100 CB VAL A 127 30.812 11.957 6.585 1.00 0.00 C ATOM 1101 CG1 VAL A 127 32.078 12.716 6.952 1.00 0.00 C ATOM 1102 CG2 VAL A 127 31.053 10.455 6.613 1.00 0.00 C ATOM 0 H VAL A 127 30.787 11.360 9.006 1.00 0.00 H new ATOM 0 HA VAL A 127 29.560 13.421 7.557 1.00 0.00 H new ATOM 0 HB VAL A 127 30.531 12.238 5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.881 12.435 6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.895 13.788 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.366 12.470 7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.871 10.205 5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 127 31.312 10.147 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 127 30.149 9.935 6.296 1.00 0.00 H new ATOM 1112 N ARG A 128 28.145 10.454 7.333 1.00 0.00 N ATOM 1113 CA ARG A 128 26.944 9.752 6.896 1.00 0.00 C ATOM 1114 C ARG A 128 25.697 10.362 7.528 1.00 0.00 C ATOM 1115 O ARG A 128 24.705 10.617 6.846 1.00 0.00 O ATOM 1116 CB ARG A 128 27.037 8.268 7.254 1.00 0.00 C ATOM 1117 CG ARG A 128 27.620 7.408 6.144 1.00 0.00 C ATOM 1118 CD ARG A 128 26.532 6.663 5.387 1.00 0.00 C ATOM 1119 NE ARG A 128 25.802 7.539 4.474 1.00 0.00 N ATOM 1120 CZ ARG A 128 24.609 7.245 3.969 1.00 0.00 C ATOM 1121 NH1 ARG A 128 24.015 6.103 4.287 1.00 0.00 N ATOM 1122 NH2 ARG A 128 24.008 8.094 3.145 1.00 0.00 N ATOM 0 H ARG A 128 28.783 9.890 7.894 1.00 0.00 H new ATOM 0 HA ARG A 128 26.868 9.854 5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.650 8.157 8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 128 26.042 7.900 7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 128 28.181 8.036 5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 128 28.325 6.693 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 128 26.979 5.844 4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 128 25.835 6.219 6.098 1.00 0.00 H new ATOM 0 HE ARG A 128 26.232 8.425 4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 128 24.474 5.448 4.920 1.00 0.00 H new ATOM 0 HH12 ARG A 128 23.099 5.879 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 128 24.462 8.974 2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 128 23.092 7.867 2.758 1.00 0.00 H new ATOM 1136 N GLN A 129 25.755 10.592 8.836 1.00 0.00 N ATOM 1137 CA GLN A 129 24.629 11.171 9.560 1.00 0.00 C ATOM 1138 C GLN A 129 24.378 12.608 9.117 1.00 0.00 C ATOM 1139 O GLN A 129 23.239 13.075 9.105 1.00 0.00 O ATOM 1140 CB GLN A 129 24.889 11.127 11.067 1.00 0.00 C ATOM 1141 CG GLN A 129 24.948 9.718 11.634 1.00 0.00 C ATOM 1142 CD GLN A 129 23.582 9.184 12.015 1.00 0.00 C ATOM 1143 OE1 GLN A 129 23.052 8.282 11.365 1.00 0.00 O ATOM 1144 NE2 GLN A 129 23.003 9.738 13.073 1.00 0.00 N ATOM 0 H GLN A 129 26.569 10.387 9.416 1.00 0.00 H new ATOM 0 HA GLN A 129 23.741 10.581 9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 129 25.830 11.635 11.280 1.00 0.00 H new ATOM 0 HB3 GLN A 129 24.104 11.683 11.579 1.00 0.00 H new ATOM 0 HG2 GLN A 129 25.401 9.053 10.899 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.594 9.711 12.512 1.00 0.00 H new ATOM 0 HE21 GLN A 129 23.478 10.483 13.583 1.00 0.00 H new ATOM 0 HE22 GLN A 129 22.083 9.419 13.376 1.00 0.00 H new ATOM 1153 N LYS A 130 25.448 13.305 8.752 1.00 0.00 N ATOM 1154 CA LYS A 130 25.345 14.690 8.306 1.00 0.00 C ATOM 1155 C LYS A 130 24.652 14.775 6.950 1.00 0.00 C ATOM 1156 O LYS A 130 23.835 15.664 6.714 1.00 0.00 O ATOM 1157 CB LYS A 130 26.735 15.325 8.222 1.00 0.00 C ATOM 1158 CG LYS A 130 27.040 16.275 9.366 1.00 0.00 C ATOM 1159 CD LYS A 130 27.649 17.574 8.865 1.00 0.00 C ATOM 1160 CE LYS A 130 28.787 18.039 9.762 1.00 0.00 C ATOM 1161 NZ LYS A 130 28.294 18.851 10.908 1.00 0.00 N ATOM 0 H LYS A 130 26.398 12.933 8.756 1.00 0.00 H new ATOM 0 HA LYS A 130 24.746 15.237 9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.486 14.535 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.822 15.865 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 130 26.124 16.490 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 130 27.726 15.796 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 130 28.019 17.436 7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 130 26.880 18.345 8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 130 29.330 17.172 10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 130 29.493 18.628 9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 29.100 19.148 11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 27.798 19.692 10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 27.640 18.281 11.481 1.00 0.00 H new ATOM 1175 N VAL A 131 24.983 13.842 6.062 1.00 0.00 N ATOM 1176 CA VAL A 131 24.391 13.810 4.730 1.00 0.00 C ATOM 1177 C VAL A 131 23.053 13.079 4.742 1.00 0.00 C ATOM 1178 O VAL A 131 22.243 13.229 3.826 1.00 0.00 O ATOM 1179 CB VAL A 131 25.328 13.129 3.715 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.667 13.848 3.659 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.515 11.661 4.066 1.00 0.00 C ATOM 0 H VAL A 131 25.658 13.099 6.241 1.00 0.00 H new ATOM 0 HA VAL A 131 24.233 14.845 4.428 1.00 0.00 H new ATOM 0 HB VAL A 131 24.871 13.187 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 131 27.316 13.353 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.511 14.884 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 131 27.135 13.824 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 131 26.180 11.195 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.951 11.578 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.549 11.157 4.049 1.00 0.00 H new ATOM 1191 N LEU A 132 22.827 12.286 5.783 1.00 0.00 N ATOM 1192 CA LEU A 132 21.587 11.530 5.915 1.00 0.00 C ATOM 1193 C LEU A 132 20.509 12.367 6.597 1.00 0.00 C ATOM 1194 O LEU A 132 19.318 12.197 6.334 1.00 0.00 O ATOM 1195 CB LEU A 132 21.831 10.246 6.710 1.00 0.00 C ATOM 1196 CG LEU A 132 20.654 9.273 6.790 1.00 0.00 C ATOM 1197 CD1 LEU A 132 21.153 7.842 6.921 1.00 0.00 C ATOM 1198 CD2 LEU A 132 19.744 9.632 7.956 1.00 0.00 C ATOM 0 H LEU A 132 23.487 12.150 6.549 1.00 0.00 H new ATOM 0 HA LEU A 132 21.241 11.270 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.679 9.724 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 132 22.120 10.520 7.725 1.00 0.00 H new ATOM 0 HG LEU A 132 20.078 9.352 5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 132 20.302 7.163 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 132 21.763 7.589 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.752 7.747 7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 132 18.912 8.929 7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 132 20.309 9.582 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 132 19.359 10.643 7.819 1.00 0.00 H new ATOM 1210 N ARG A 133 20.935 13.272 7.472 1.00 0.00 N ATOM 1211 CA ARG A 133 20.007 14.136 8.191 1.00 0.00 C ATOM 1212 C ARG A 133 19.069 14.851 7.223 1.00 0.00 C ATOM 1213 O ARG A 133 17.935 15.183 7.571 1.00 0.00 O ATOM 1214 CB ARG A 133 20.775 15.162 9.026 1.00 0.00 C ATOM 1215 CG ARG A 133 21.243 16.368 8.229 1.00 0.00 C ATOM 1216 CD ARG A 133 22.313 17.149 8.976 1.00 0.00 C ATOM 1217 NE ARG A 133 21.999 18.574 9.051 1.00 0.00 N ATOM 1218 CZ ARG A 133 22.891 19.508 9.360 1.00 0.00 C ATOM 1219 NH1 ARG A 133 24.146 19.169 9.621 1.00 0.00 N ATOM 1220 NH2 ARG A 133 22.529 20.783 9.408 1.00 0.00 N ATOM 0 H ARG A 133 21.917 13.426 7.700 1.00 0.00 H new ATOM 0 HA ARG A 133 19.409 13.512 8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.139 15.502 9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.641 14.677 9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 133 21.636 16.039 7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.394 17.019 8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 133 22.418 16.747 9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 133 23.273 17.015 8.478 1.00 0.00 H new ATOM 0 HE ARG A 133 21.042 18.868 8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 133 24.428 18.189 9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 133 24.830 19.888 9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 133 21.564 21.047 9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 133 23.215 21.499 9.645 1.00 0.00 H new ATOM 1234 N LEU A 134 19.549 15.085 6.007 1.00 0.00 N ATOM 1235 CA LEU A 134 18.754 15.762 4.988 1.00 0.00 C ATOM 1236 C LEU A 134 17.391 15.096 4.829 1.00 0.00 C ATOM 1237 O LEU A 134 16.364 15.770 4.776 1.00 0.00 O ATOM 1238 CB LEU A 134 19.495 15.758 3.649 1.00 0.00 C ATOM 1239 CG LEU A 134 20.342 16.995 3.348 1.00 0.00 C ATOM 1240 CD1 LEU A 134 19.455 18.214 3.148 1.00 0.00 C ATOM 1241 CD2 LEU A 134 21.345 17.240 4.466 1.00 0.00 C ATOM 0 H LEU A 134 20.485 14.816 5.702 1.00 0.00 H new ATOM 0 HA LEU A 134 18.599 16.792 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 134 20.143 14.882 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 134 18.762 15.641 2.851 1.00 0.00 H new ATOM 0 HG LEU A 134 20.894 16.818 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 134 20.075 19.084 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 134 18.778 18.038 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 134 18.875 18.395 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 134 21.939 18.124 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 134 20.813 17.396 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 134 22.003 16.376 4.561 1.00 0.00 H new ATOM 1253 N GLU A 135 17.392 13.768 4.756 1.00 0.00 N ATOM 1254 CA GLU A 135 16.155 13.012 4.606 1.00 0.00 C ATOM 1255 C GLU A 135 15.794 12.294 5.903 1.00 0.00 C ATOM 1256 O GLU A 135 14.703 11.740 6.035 1.00 0.00 O ATOM 1257 CB GLU A 135 16.287 11.997 3.468 1.00 0.00 C ATOM 1258 CG GLU A 135 17.512 11.106 3.586 1.00 0.00 C ATOM 1259 CD GLU A 135 17.404 9.850 2.745 1.00 0.00 C ATOM 1260 OE1 GLU A 135 16.790 8.870 3.217 1.00 0.00 O ATOM 1261 OE2 GLU A 135 17.933 9.846 1.613 1.00 0.00 O ATOM 0 H GLU A 135 18.235 13.195 4.798 1.00 0.00 H new ATOM 0 HA GLU A 135 15.357 13.715 4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 135 15.394 11.372 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.327 12.531 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 135 18.395 11.667 3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.655 10.828 4.630 1.00 0.00 H new TER 1268 GLU A 135