USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 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= -0.0972 F(o=-1.1,f=-0.081) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -153:sc= 0.0166 (180deg=0) USER MOD Set 2.1: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0264 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= -0.649 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -1.11 F(o=-2.2,f=-1.1) USER MOD Single : A 80 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.72) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.559 F(o=-1.4,f=-0.56) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.373 K(o=-0.37,f=-2.8!) USER MOD Single : A 103 LYS NZ :NH3+ -124:sc= -0.727 (180deg=-3.89!) USER MOD Single : A 107 SER OG : rot -84:sc= -0.9 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 67:sc= 1.24 USER MOD Single : A 119 CYS SG : rot -140:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ -110:sc= -0.173 (180deg=-1.33!) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 10.453 -4.223 -15.821 1.00 0.00 N ATOM 2 CA LYS A 60 10.807 -2.901 -15.319 1.00 0.00 C ATOM 3 C LYS A 60 9.607 -2.230 -14.658 1.00 0.00 C ATOM 4 O LYS A 60 9.743 -1.568 -13.630 1.00 0.00 O ATOM 5 CB LYS A 60 11.332 -2.024 -16.458 1.00 0.00 C ATOM 6 CG LYS A 60 12.164 -0.845 -15.983 1.00 0.00 C ATOM 7 CD LYS A 60 12.292 0.217 -17.063 1.00 0.00 C ATOM 8 CE LYS A 60 12.552 1.591 -16.465 1.00 0.00 C ATOM 9 NZ LYS A 60 12.468 2.668 -17.491 1.00 0.00 N ATOM 0 HA LYS A 60 11.591 -3.022 -14.571 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.934 -2.636 -17.129 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.487 -1.652 -17.038 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.706 -0.409 -15.095 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.156 -1.192 -15.693 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.105 -0.046 -17.739 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.379 0.245 -17.658 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.828 1.786 -15.674 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.539 1.605 -16.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.651 3.589 -17.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.176 2.497 -18.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.518 2.671 -17.914 1.00 0.00 H new ATOM 23 N GLU A 61 8.433 -2.407 -15.256 1.00 0.00 N ATOM 24 CA GLU A 61 7.209 -1.818 -14.724 1.00 0.00 C ATOM 25 C GLU A 61 6.805 -2.493 -13.416 1.00 0.00 C ATOM 26 O GLU A 61 6.321 -1.840 -12.490 1.00 0.00 O ATOM 27 CB GLU A 61 6.074 -1.937 -15.743 1.00 0.00 C ATOM 28 CG GLU A 61 4.913 -0.995 -15.474 1.00 0.00 C ATOM 29 CD GLU A 61 3.623 -1.460 -16.121 1.00 0.00 C ATOM 30 OE1 GLU A 61 3.355 -2.680 -16.102 1.00 0.00 O ATOM 31 OE2 GLU A 61 2.881 -0.604 -16.646 1.00 0.00 O ATOM 0 H GLU A 61 8.303 -2.953 -16.108 1.00 0.00 H new ATOM 0 HA GLU A 61 7.400 -0.763 -14.526 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.469 -1.738 -16.739 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.705 -2.963 -15.746 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.764 -0.906 -14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.163 -0.001 -15.844 1.00 0.00 H new ATOM 38 N THR A 62 7.007 -3.805 -13.346 1.00 0.00 N ATOM 39 CA THR A 62 6.663 -4.569 -12.154 1.00 0.00 C ATOM 40 C THR A 62 7.551 -4.181 -10.977 1.00 0.00 C ATOM 41 O THR A 62 7.230 -4.468 -9.823 1.00 0.00 O ATOM 42 CB THR A 62 6.790 -6.084 -12.401 1.00 0.00 C ATOM 43 OG1 THR A 62 7.938 -6.353 -13.212 1.00 0.00 O ATOM 44 CG2 THR A 62 5.543 -6.627 -13.082 1.00 0.00 C ATOM 0 H THR A 62 7.407 -4.361 -14.102 1.00 0.00 H new ATOM 0 HA THR A 62 5.626 -4.333 -11.916 1.00 0.00 H new ATOM 0 HB THR A 62 6.903 -6.579 -11.437 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.013 -7.318 -13.363 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.656 -7.699 -13.246 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.675 -6.446 -12.449 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.404 -6.126 -14.040 1.00 0.00 H new ATOM 52 N VAL A 63 8.669 -3.527 -11.276 1.00 0.00 N ATOM 53 CA VAL A 63 9.603 -3.098 -10.242 1.00 0.00 C ATOM 54 C VAL A 63 9.675 -1.578 -10.162 1.00 0.00 C ATOM 55 O VAL A 63 9.384 -0.867 -11.124 1.00 0.00 O ATOM 56 CB VAL A 63 11.016 -3.656 -10.496 1.00 0.00 C ATOM 57 CG1 VAL A 63 11.089 -5.125 -10.109 1.00 0.00 C ATOM 58 CG2 VAL A 63 11.412 -3.459 -11.952 1.00 0.00 C ATOM 0 H VAL A 63 8.950 -3.283 -12.226 1.00 0.00 H new ATOM 0 HA VAL A 63 9.230 -3.491 -9.296 1.00 0.00 H new ATOM 0 HB VAL A 63 11.722 -3.107 -9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.095 -5.501 -10.296 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.851 -5.235 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.373 -5.694 -10.703 1.00 0.00 H new ATOM 0 HG21 VAL A 63 12.413 -3.859 -12.114 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.704 -3.981 -12.595 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.403 -2.396 -12.191 1.00 0.00 H new ATOM 68 N PRO A 64 10.073 -1.064 -8.989 1.00 0.00 N ATOM 69 CA PRO A 64 10.193 0.378 -8.755 1.00 0.00 C ATOM 70 C PRO A 64 11.353 0.995 -9.530 1.00 0.00 C ATOM 71 O PRO A 64 11.944 0.353 -10.398 1.00 0.00 O ATOM 72 CB PRO A 64 10.445 0.474 -7.249 1.00 0.00 C ATOM 73 CG PRO A 64 11.057 -0.835 -6.883 1.00 0.00 C ATOM 74 CD PRO A 64 10.436 -1.853 -7.799 1.00 0.00 C ATOM 0 HA PRO A 64 9.308 0.920 -9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.112 1.303 -7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.517 0.644 -6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.140 -0.808 -7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.861 -1.079 -5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.135 -2.652 -8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.563 -2.322 -7.346 1.00 0.00 H new ATOM 82 N TYR A 65 11.673 2.244 -9.211 1.00 0.00 N ATOM 83 CA TYR A 65 12.760 2.949 -9.878 1.00 0.00 C ATOM 84 C TYR A 65 13.953 3.123 -8.942 1.00 0.00 C ATOM 85 O TYR A 65 15.092 3.253 -9.389 1.00 0.00 O ATOM 86 CB TYR A 65 12.283 4.316 -10.373 1.00 0.00 C ATOM 87 CG TYR A 65 11.631 4.272 -11.736 1.00 0.00 C ATOM 88 CD1 TYR A 65 12.397 4.175 -12.892 1.00 0.00 C ATOM 89 CD2 TYR A 65 10.249 4.328 -11.869 1.00 0.00 C ATOM 90 CE1 TYR A 65 11.805 4.136 -14.139 1.00 0.00 C ATOM 91 CE2 TYR A 65 9.649 4.288 -13.113 1.00 0.00 C ATOM 92 CZ TYR A 65 10.431 4.192 -14.245 1.00 0.00 C ATOM 93 OH TYR A 65 9.837 4.153 -15.486 1.00 0.00 O ATOM 0 H TYR A 65 11.194 2.789 -8.494 1.00 0.00 H new ATOM 0 HA TYR A 65 13.076 2.350 -10.733 1.00 0.00 H new ATOM 0 HB2 TYR A 65 11.575 4.727 -9.654 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.133 4.997 -10.408 1.00 0.00 H new ATOM 0 HD1 TYR A 65 13.473 4.129 -12.814 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.633 4.404 -10.985 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.415 4.062 -15.027 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.573 4.332 -13.198 1.00 0.00 H new ATOM 0 HH TYR A 65 8.863 4.201 -15.384 1.00 0.00 H new ATOM 103 N GLN A 66 13.680 3.123 -7.641 1.00 0.00 N ATOM 104 CA GLN A 66 14.729 3.280 -6.641 1.00 0.00 C ATOM 105 C GLN A 66 15.537 1.995 -6.493 1.00 0.00 C ATOM 106 O GLN A 66 16.644 2.005 -5.954 1.00 0.00 O ATOM 107 CB GLN A 66 14.124 3.674 -5.293 1.00 0.00 C ATOM 108 CG GLN A 66 13.191 2.622 -4.715 1.00 0.00 C ATOM 109 CD GLN A 66 12.249 3.189 -3.670 1.00 0.00 C ATOM 110 OE1 GLN A 66 11.057 3.364 -3.922 1.00 0.00 O ATOM 111 NE2 GLN A 66 12.781 3.478 -2.488 1.00 0.00 N ATOM 0 H GLN A 66 12.742 3.016 -7.255 1.00 0.00 H new ATOM 0 HA GLN A 66 15.399 4.072 -6.976 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.930 3.862 -4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.576 4.609 -5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.608 2.177 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.783 1.822 -4.270 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.775 3.317 -2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.196 3.861 -1.745 1.00 0.00 H new ATOM 120 N ILE A 67 14.976 0.890 -6.974 1.00 0.00 N ATOM 121 CA ILE A 67 15.645 -0.402 -6.895 1.00 0.00 C ATOM 122 C ILE A 67 16.338 -0.744 -8.210 1.00 0.00 C ATOM 123 O ILE A 67 15.760 -0.634 -9.291 1.00 0.00 O ATOM 124 CB ILE A 67 14.655 -1.528 -6.542 1.00 0.00 C ATOM 125 CG1 ILE A 67 13.941 -1.214 -5.225 1.00 0.00 C ATOM 126 CG2 ILE A 67 15.380 -2.862 -6.452 1.00 0.00 C ATOM 127 CD1 ILE A 67 14.875 -1.113 -4.040 1.00 0.00 C ATOM 0 H ILE A 67 14.060 0.864 -7.422 1.00 0.00 H new ATOM 0 HA ILE A 67 16.391 -0.323 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 67 13.907 -1.596 -7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.398 -0.275 -5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.201 -1.990 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.667 -3.648 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 67 15.847 -3.088 -7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.146 -2.808 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.300 -0.889 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.399 -2.059 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 67 15.600 -0.318 -4.215 1.00 0.00 H new ATOM 139 N PRO A 68 17.606 -1.171 -8.117 1.00 0.00 N ATOM 140 CA PRO A 68 18.304 -1.305 -6.835 1.00 0.00 C ATOM 141 C PRO A 68 18.608 0.046 -6.196 1.00 0.00 C ATOM 142 O PRO A 68 18.322 0.265 -5.018 1.00 0.00 O ATOM 143 CB PRO A 68 19.602 -2.023 -7.211 1.00 0.00 C ATOM 144 CG PRO A 68 19.824 -1.679 -8.644 1.00 0.00 C ATOM 145 CD PRO A 68 18.456 -1.554 -9.256 1.00 0.00 C ATOM 0 HA PRO A 68 17.704 -1.839 -6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 68 20.433 -1.689 -6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.513 -3.100 -7.072 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.381 -0.747 -8.740 1.00 0.00 H new ATOM 0 HG3 PRO A 68 20.407 -2.452 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 68 18.436 -0.801 -10.044 1.00 0.00 H new ATOM 0 HD3 PRO A 68 18.129 -2.492 -9.704 1.00 0.00 H new ATOM 153 N TYR A 69 19.189 0.948 -6.979 1.00 0.00 N ATOM 154 CA TYR A 69 19.534 2.277 -6.488 1.00 0.00 C ATOM 155 C TYR A 69 19.209 3.343 -7.530 1.00 0.00 C ATOM 156 O TYR A 69 19.385 3.131 -8.730 1.00 0.00 O ATOM 157 CB TYR A 69 21.019 2.339 -6.124 1.00 0.00 C ATOM 158 CG TYR A 69 21.932 1.828 -7.215 1.00 0.00 C ATOM 159 CD1 TYR A 69 22.244 0.478 -7.311 1.00 0.00 C ATOM 160 CD2 TYR A 69 22.483 2.696 -8.150 1.00 0.00 C ATOM 161 CE1 TYR A 69 23.079 0.006 -8.306 1.00 0.00 C ATOM 162 CE2 TYR A 69 23.317 2.233 -9.149 1.00 0.00 C ATOM 163 CZ TYR A 69 23.612 0.888 -9.223 1.00 0.00 C ATOM 164 OH TYR A 69 24.444 0.423 -10.216 1.00 0.00 O ATOM 0 H TYR A 69 19.431 0.783 -7.956 1.00 0.00 H new ATOM 0 HA TYR A 69 18.940 2.474 -5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 69 21.285 3.370 -5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 69 21.187 1.756 -5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.827 -0.215 -6.596 1.00 0.00 H new ATOM 0 HD2 TYR A 69 22.255 3.750 -8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 69 23.313 -1.047 -8.365 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.736 2.921 -9.869 1.00 0.00 H new ATOM 0 HH TYR A 69 24.732 1.172 -10.779 1.00 0.00 H new ATOM 174 N THR A 70 18.733 4.493 -7.062 1.00 0.00 N ATOM 175 CA THR A 70 18.382 5.593 -7.950 1.00 0.00 C ATOM 176 C THR A 70 19.507 6.620 -8.025 1.00 0.00 C ATOM 177 O THR A 70 20.270 6.810 -7.078 1.00 0.00 O ATOM 178 CB THR A 70 17.091 6.296 -7.491 1.00 0.00 C ATOM 179 OG1 THR A 70 16.692 5.799 -6.209 1.00 0.00 O ATOM 180 CG2 THR A 70 15.970 6.078 -8.496 1.00 0.00 C ATOM 0 H THR A 70 18.582 4.686 -6.072 1.00 0.00 H new ATOM 0 HA THR A 70 18.221 5.162 -8.938 1.00 0.00 H new ATOM 0 HB THR A 70 17.291 7.365 -7.420 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.871 6.252 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 70 15.068 6.584 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.265 6.483 -9.464 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.772 5.011 -8.595 1.00 0.00 H new ATOM 188 N PRO A 71 19.614 7.299 -9.176 1.00 0.00 N ATOM 189 CA PRO A 71 20.642 8.319 -9.401 1.00 0.00 C ATOM 190 C PRO A 71 20.405 9.575 -8.569 1.00 0.00 C ATOM 191 O PRO A 71 21.346 10.171 -8.045 1.00 0.00 O ATOM 192 CB PRO A 71 20.509 8.634 -10.893 1.00 0.00 C ATOM 193 CG PRO A 71 19.100 8.286 -11.230 1.00 0.00 C ATOM 194 CD PRO A 71 18.738 7.124 -10.348 1.00 0.00 C ATOM 0 HA PRO A 71 21.633 7.969 -9.112 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.717 9.685 -11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.213 8.050 -11.485 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.436 9.132 -11.053 1.00 0.00 H new ATOM 0 HG3 PRO A 71 19.005 8.021 -12.283 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.685 7.144 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.918 6.171 -10.845 1.00 0.00 H new ATOM 202 N SER A 72 19.141 9.971 -8.451 1.00 0.00 N ATOM 203 CA SER A 72 18.781 11.158 -7.685 1.00 0.00 C ATOM 204 C SER A 72 19.360 11.091 -6.275 1.00 0.00 C ATOM 205 O SER A 72 19.814 12.097 -5.731 1.00 0.00 O ATOM 206 CB SER A 72 17.260 11.306 -7.618 1.00 0.00 C ATOM 207 OG SER A 72 16.892 12.496 -6.942 1.00 0.00 O ATOM 0 H SER A 72 18.350 9.487 -8.876 1.00 0.00 H new ATOM 0 HA SER A 72 19.201 12.028 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.848 11.315 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.830 10.445 -7.106 1.00 0.00 H new ATOM 0 HG SER A 72 15.915 12.568 -6.914 1.00 0.00 H new ATOM 213 N GLU A 73 19.339 9.898 -5.689 1.00 0.00 N ATOM 214 CA GLU A 73 19.860 9.699 -4.342 1.00 0.00 C ATOM 215 C GLU A 73 21.378 9.856 -4.318 1.00 0.00 C ATOM 216 O GLU A 73 21.929 10.540 -3.453 1.00 0.00 O ATOM 217 CB GLU A 73 19.471 8.315 -3.820 1.00 0.00 C ATOM 218 CG GLU A 73 18.005 7.974 -4.031 1.00 0.00 C ATOM 219 CD GLU A 73 17.075 8.915 -3.291 1.00 0.00 C ATOM 220 OE1 GLU A 73 17.346 9.206 -2.107 1.00 0.00 O ATOM 221 OE2 GLU A 73 16.077 9.360 -3.895 1.00 0.00 O ATOM 0 H GLU A 73 18.967 9.055 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 73 19.423 10.459 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.085 7.563 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.698 8.261 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.778 8.008 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.822 6.952 -3.698 1.00 0.00 H new ATOM 228 N LEU A 74 22.048 9.218 -5.271 1.00 0.00 N ATOM 229 CA LEU A 74 23.503 9.286 -5.359 1.00 0.00 C ATOM 230 C LEU A 74 23.971 10.726 -5.543 1.00 0.00 C ATOM 231 O LEU A 74 24.825 11.209 -4.801 1.00 0.00 O ATOM 232 CB LEU A 74 24.003 8.423 -6.519 1.00 0.00 C ATOM 233 CG LEU A 74 23.576 6.955 -6.497 1.00 0.00 C ATOM 234 CD1 LEU A 74 24.285 6.176 -7.593 1.00 0.00 C ATOM 235 CD2 LEU A 74 23.856 6.338 -5.134 1.00 0.00 C ATOM 0 H LEU A 74 21.608 8.648 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 74 23.918 8.906 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.656 8.867 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 74 25.092 8.464 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 74 22.503 6.906 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.968 5.133 -7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 74 24.033 6.603 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 74 25.363 6.233 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.546 5.293 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 74 24.923 6.399 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.300 6.879 -4.368 1.00 0.00 H new ATOM 247 N GLU A 75 23.403 11.405 -6.535 1.00 0.00 N ATOM 248 CA GLU A 75 23.762 12.791 -6.814 1.00 0.00 C ATOM 249 C GLU A 75 23.457 13.684 -5.615 1.00 0.00 C ATOM 250 O GLU A 75 24.244 14.564 -5.268 1.00 0.00 O ATOM 251 CB GLU A 75 23.010 13.297 -8.046 1.00 0.00 C ATOM 252 CG GLU A 75 21.502 13.338 -7.865 1.00 0.00 C ATOM 253 CD GLU A 75 20.770 13.700 -9.143 1.00 0.00 C ATOM 254 OE1 GLU A 75 21.055 13.075 -10.186 1.00 0.00 O ATOM 255 OE2 GLU A 75 19.914 14.607 -9.100 1.00 0.00 O ATOM 0 H GLU A 75 22.694 11.019 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 75 24.834 12.830 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.365 14.298 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.248 12.656 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 75 21.155 12.366 -7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 75 21.253 14.063 -7.090 1.00 0.00 H new ATOM 262 N GLU A 76 22.309 13.450 -4.988 1.00 0.00 N ATOM 263 CA GLU A 76 21.899 14.235 -3.829 1.00 0.00 C ATOM 264 C GLU A 76 22.836 13.993 -2.649 1.00 0.00 C ATOM 265 O GLU A 76 23.114 14.903 -1.866 1.00 0.00 O ATOM 266 CB GLU A 76 20.462 13.888 -3.432 1.00 0.00 C ATOM 267 CG GLU A 76 19.951 14.681 -2.241 1.00 0.00 C ATOM 268 CD GLU A 76 19.812 16.160 -2.543 1.00 0.00 C ATOM 269 OE1 GLU A 76 19.799 16.525 -3.737 1.00 0.00 O ATOM 270 OE2 GLU A 76 19.714 16.954 -1.583 1.00 0.00 O ATOM 0 H GLU A 76 21.647 12.724 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 76 21.949 15.289 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.806 14.065 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.405 12.824 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 76 18.984 14.284 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.633 14.548 -1.401 1.00 0.00 H new ATOM 277 N LEU A 77 23.320 12.762 -2.529 1.00 0.00 N ATOM 278 CA LEU A 77 24.227 12.400 -1.444 1.00 0.00 C ATOM 279 C LEU A 77 25.569 13.107 -1.597 1.00 0.00 C ATOM 280 O LEU A 77 26.039 13.773 -0.675 1.00 0.00 O ATOM 281 CB LEU A 77 24.436 10.885 -1.414 1.00 0.00 C ATOM 282 CG LEU A 77 24.511 10.245 -0.027 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.669 10.829 0.768 1.00 0.00 C ATOM 284 CD2 LEU A 77 23.199 10.437 0.721 1.00 0.00 C ATOM 0 H LEU A 77 23.100 11.998 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 77 23.776 12.718 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.622 10.415 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.358 10.655 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 77 24.683 9.176 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.707 10.362 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.604 10.641 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.527 11.904 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.271 9.975 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 77 22.997 11.502 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.389 9.971 0.160 1.00 0.00 H new ATOM 296 N GLN A 78 26.181 12.959 -2.768 1.00 0.00 N ATOM 297 CA GLN A 78 27.469 13.585 -3.042 1.00 0.00 C ATOM 298 C GLN A 78 27.384 15.098 -2.875 1.00 0.00 C ATOM 299 O GLN A 78 28.245 15.711 -2.244 1.00 0.00 O ATOM 300 CB GLN A 78 27.936 13.241 -4.457 1.00 0.00 C ATOM 301 CG GLN A 78 26.912 13.568 -5.532 1.00 0.00 C ATOM 302 CD GLN A 78 27.335 13.087 -6.906 1.00 0.00 C ATOM 303 OE1 GLN A 78 27.743 11.826 -6.993 1.00 0.00 O flip ATOM 304 NE2 GLN A 78 27.295 13.839 -7.880 1.00 0.00 N flip ATOM 0 H GLN A 78 25.805 12.411 -3.542 1.00 0.00 H new ATOM 0 HA GLN A 78 28.193 13.199 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.858 13.783 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.173 12.178 -4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.957 13.112 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.753 14.646 -5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 78 26.975 14.801 -7.769 1.00 0.00 H new ATOM 0 HE22 GLN A 78 27.582 13.500 -8.798 1.00 0.00 H new ATOM 313 N GLN A 79 26.342 15.695 -3.445 1.00 0.00 N ATOM 314 CA GLN A 79 26.147 17.137 -3.359 1.00 0.00 C ATOM 315 C GLN A 79 26.048 17.588 -1.906 1.00 0.00 C ATOM 316 O GLN A 79 26.676 18.567 -1.505 1.00 0.00 O ATOM 317 CB GLN A 79 24.886 17.548 -4.120 1.00 0.00 C ATOM 318 CG GLN A 79 25.102 17.706 -5.617 1.00 0.00 C ATOM 319 CD GLN A 79 25.987 18.889 -5.957 1.00 0.00 C ATOM 320 OE1 GLN A 79 27.277 18.631 -6.140 1.00 0.00 O flip ATOM 321 NE2 GLN A 79 25.517 20.023 -6.054 1.00 0.00 N flip ATOM 0 H GLN A 79 25.620 15.202 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 79 27.011 17.623 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.110 16.802 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.517 18.490 -3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.551 16.795 -6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.137 17.826 -6.109 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.520 20.176 -5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.125 20.809 -6.283 1.00 0.00 H new ATOM 330 N ASN A 80 25.254 16.867 -1.121 1.00 0.00 N ATOM 331 CA ASN A 80 25.071 17.193 0.289 1.00 0.00 C ATOM 332 C ASN A 80 26.377 17.024 1.060 1.00 0.00 C ATOM 333 O ASN A 80 26.628 17.729 2.038 1.00 0.00 O ATOM 334 CB ASN A 80 23.985 16.308 0.903 1.00 0.00 C ATOM 335 CG ASN A 80 22.595 16.882 0.712 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.379 18.083 0.878 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.643 16.025 0.362 1.00 0.00 N ATOM 0 H ASN A 80 24.727 16.053 -1.437 1.00 0.00 H new ATOM 0 HA ASN A 80 24.761 18.236 0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 80 24.031 15.316 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.181 16.184 1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.688 16.354 0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.867 15.038 0.235 1.00 0.00 H new ATOM 344 N ILE A 81 27.204 16.086 0.612 1.00 0.00 N ATOM 345 CA ILE A 81 28.485 15.825 1.259 1.00 0.00 C ATOM 346 C ILE A 81 29.434 17.007 1.094 1.00 0.00 C ATOM 347 O ILE A 81 29.936 17.556 2.075 1.00 0.00 O ATOM 348 CB ILE A 81 29.155 14.560 0.692 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.372 13.312 1.107 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.598 14.468 1.163 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.504 12.164 0.132 1.00 0.00 C ATOM 0 H ILE A 81 27.011 15.494 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 81 28.279 15.672 2.318 1.00 0.00 H new ATOM 0 HB ILE A 81 29.152 14.622 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.717 12.986 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.318 13.572 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 81 31.058 13.568 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.149 15.344 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.623 14.425 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 81 27.923 11.314 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.132 12.472 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.552 11.877 0.047 1.00 0.00 H new ATOM 363 N LYS A 82 29.675 17.396 -0.153 1.00 0.00 N ATOM 364 CA LYS A 82 30.562 18.515 -0.449 1.00 0.00 C ATOM 365 C LYS A 82 29.941 19.834 -0.001 1.00 0.00 C ATOM 366 O LYS A 82 30.646 20.817 0.232 1.00 0.00 O ATOM 367 CB LYS A 82 30.870 18.566 -1.947 1.00 0.00 C ATOM 368 CG LYS A 82 29.633 18.491 -2.825 1.00 0.00 C ATOM 369 CD LYS A 82 29.795 17.460 -3.930 1.00 0.00 C ATOM 370 CE LYS A 82 30.217 18.108 -5.240 1.00 0.00 C ATOM 371 NZ LYS A 82 30.036 17.188 -6.397 1.00 0.00 N ATOM 0 H LYS A 82 29.268 16.952 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 82 31.491 18.366 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.407 19.489 -2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.536 17.741 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 82 28.767 18.238 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.438 19.469 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 82 30.538 16.720 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 82 28.855 16.927 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 82 29.633 19.014 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.262 18.410 -5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 30.711 17.437 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 30.204 16.208 -6.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 29.066 17.275 -6.761 1.00 0.00 H new ATOM 385 N LEU A 83 28.618 19.849 0.119 1.00 0.00 N ATOM 386 CA LEU A 83 27.902 21.048 0.540 1.00 0.00 C ATOM 387 C LEU A 83 27.875 21.160 2.061 1.00 0.00 C ATOM 388 O LEU A 83 27.807 22.258 2.611 1.00 0.00 O ATOM 389 CB LEU A 83 26.473 21.031 -0.006 1.00 0.00 C ATOM 390 CG LEU A 83 26.313 21.417 -1.477 1.00 0.00 C ATOM 391 CD1 LEU A 83 24.890 21.155 -1.946 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.686 22.877 -1.689 1.00 0.00 C ATOM 0 H LEU A 83 28.020 19.045 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 83 28.428 21.915 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.064 20.030 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 83 25.867 21.709 0.595 1.00 0.00 H new ATOM 0 HG LEU A 83 26.988 20.800 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.795 21.436 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.658 20.096 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.195 21.745 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.566 23.134 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 83 26.036 23.510 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.723 23.034 -1.393 1.00 0.00 H new ATOM 404 N GLU A 84 27.931 20.015 2.735 1.00 0.00 N ATOM 405 CA GLU A 84 27.915 19.985 4.193 1.00 0.00 C ATOM 406 C GLU A 84 29.305 19.688 4.746 1.00 0.00 C ATOM 407 O GLU A 84 29.983 20.577 5.263 1.00 0.00 O ATOM 408 CB GLU A 84 26.920 18.935 4.692 1.00 0.00 C ATOM 409 CG GLU A 84 25.473 19.262 4.362 1.00 0.00 C ATOM 410 CD GLU A 84 24.493 18.340 5.061 1.00 0.00 C ATOM 411 OE1 GLU A 84 24.220 18.564 6.259 1.00 0.00 O ATOM 412 OE2 GLU A 84 23.999 17.395 4.411 1.00 0.00 O ATOM 0 H GLU A 84 27.988 19.097 2.295 1.00 0.00 H new ATOM 0 HA GLU A 84 27.604 20.968 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.174 17.969 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.023 18.833 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.263 20.293 4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.325 19.193 3.284 1.00 0.00 H new ATOM 419 N LEU A 85 29.724 18.432 4.636 1.00 0.00 N ATOM 420 CA LEU A 85 31.033 18.016 5.125 1.00 0.00 C ATOM 421 C LEU A 85 32.138 18.886 4.533 1.00 0.00 C ATOM 422 O LEU A 85 31.879 19.746 3.692 1.00 0.00 O ATOM 423 CB LEU A 85 31.286 16.547 4.781 1.00 0.00 C ATOM 424 CG LEU A 85 30.579 15.519 5.665 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.905 15.761 7.130 1.00 0.00 C ATOM 426 CD2 LEU A 85 29.075 15.565 5.437 1.00 0.00 C ATOM 0 H LEU A 85 29.175 17.684 4.212 1.00 0.00 H new ATOM 0 HA LEU A 85 31.042 18.136 6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.981 16.379 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.359 16.363 4.831 1.00 0.00 H new ATOM 0 HG LEU A 85 30.938 14.526 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.393 15.020 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.981 15.677 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.575 16.760 7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.588 14.827 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.700 16.559 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.858 15.342 4.392 1.00 0.00 H new ATOM 438 N GLU A 86 33.369 18.653 4.977 1.00 0.00 N ATOM 439 CA GLU A 86 34.513 19.415 4.489 1.00 0.00 C ATOM 440 C GLU A 86 35.810 18.908 5.112 1.00 0.00 C ATOM 441 O GLU A 86 35.805 17.968 5.906 1.00 0.00 O ATOM 442 CB GLU A 86 34.333 20.903 4.800 1.00 0.00 C ATOM 443 CG GLU A 86 33.913 21.178 6.234 1.00 0.00 C ATOM 444 CD GLU A 86 33.827 22.660 6.542 1.00 0.00 C ATOM 445 OE1 GLU A 86 34.879 23.332 6.529 1.00 0.00 O ATOM 446 OE2 GLU A 86 32.706 23.149 6.797 1.00 0.00 O ATOM 0 H GLU A 86 33.600 17.944 5.673 1.00 0.00 H new ATOM 0 HA GLU A 86 34.572 19.281 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 86 35.269 21.424 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.585 21.319 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 86 32.944 20.715 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 86 34.625 20.710 6.913 1.00 0.00 H new ATOM 453 N GLY A 87 36.922 19.537 4.744 1.00 0.00 N ATOM 454 CA GLY A 87 38.212 19.136 5.274 1.00 0.00 C ATOM 455 C GLY A 87 38.518 17.675 5.011 1.00 0.00 C ATOM 456 O GLY A 87 38.667 17.261 3.861 1.00 0.00 O ATOM 0 H GLY A 87 36.952 20.317 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 87 38.992 19.753 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.234 19.321 6.348 1.00 0.00 H new ATOM 460 N LYS A 88 38.613 16.890 6.079 1.00 0.00 N ATOM 461 CA LYS A 88 38.903 15.466 5.959 1.00 0.00 C ATOM 462 C LYS A 88 37.656 14.631 6.231 1.00 0.00 C ATOM 463 O LYS A 88 37.728 13.582 6.870 1.00 0.00 O ATOM 464 CB LYS A 88 40.017 15.069 6.930 1.00 0.00 C ATOM 465 CG LYS A 88 41.027 14.103 6.335 1.00 0.00 C ATOM 466 CD LYS A 88 41.525 13.109 7.371 1.00 0.00 C ATOM 467 CE LYS A 88 41.578 11.697 6.808 1.00 0.00 C ATOM 468 NZ LYS A 88 42.919 11.371 6.250 1.00 0.00 N ATOM 0 H LYS A 88 38.493 17.216 7.038 1.00 0.00 H new ATOM 0 HA LYS A 88 39.232 15.273 4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.537 15.968 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.571 14.616 7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 88 40.572 13.566 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 88 41.871 14.661 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 88 42.518 13.404 7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 88 40.870 13.130 8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 88 41.329 10.984 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 88 40.824 11.589 6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 42.913 10.400 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 43.147 12.036 5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 43.635 11.449 7.000 1.00 0.00 H new ATOM 482 N GLU A 89 36.514 15.104 5.741 1.00 0.00 N ATOM 483 CA GLU A 89 35.252 14.400 5.931 1.00 0.00 C ATOM 484 C GLU A 89 34.551 14.169 4.595 1.00 0.00 C ATOM 485 O GLU A 89 34.287 13.030 4.211 1.00 0.00 O ATOM 486 CB GLU A 89 34.338 15.191 6.869 1.00 0.00 C ATOM 487 CG GLU A 89 35.045 15.720 8.105 1.00 0.00 C ATOM 488 CD GLU A 89 34.111 16.470 9.036 1.00 0.00 C ATOM 489 OE1 GLU A 89 33.725 17.608 8.699 1.00 0.00 O ATOM 490 OE2 GLU A 89 33.767 15.917 10.101 1.00 0.00 O ATOM 0 H GLU A 89 36.437 15.971 5.210 1.00 0.00 H new ATOM 0 HA GLU A 89 35.470 13.431 6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 89 33.907 16.029 6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.510 14.553 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 89 35.498 14.888 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 89 35.856 16.381 7.800 1.00 0.00 H new ATOM 497 N GLN A 90 34.252 15.258 3.894 1.00 0.00 N ATOM 498 CA GLN A 90 33.581 15.174 2.603 1.00 0.00 C ATOM 499 C GLN A 90 34.403 14.353 1.614 1.00 0.00 C ATOM 500 O GLN A 90 33.854 13.701 0.727 1.00 0.00 O ATOM 501 CB GLN A 90 33.335 16.574 2.040 1.00 0.00 C ATOM 502 CG GLN A 90 34.609 17.309 1.657 1.00 0.00 C ATOM 503 CD GLN A 90 34.339 18.570 0.860 1.00 0.00 C ATOM 504 OE1 GLN A 90 33.361 19.352 1.303 1.00 0.00 O flip ATOM 505 NE2 GLN A 90 35.001 18.839 -0.143 1.00 0.00 N flip ATOM 0 H GLN A 90 34.464 16.208 4.199 1.00 0.00 H new ATOM 0 HA GLN A 90 32.623 14.676 2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 90 32.693 16.496 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.794 17.164 2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.161 17.566 2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.246 16.644 1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 90 35.744 18.210 -0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 90 34.807 19.691 -0.669 1.00 0.00 H new ATOM 514 N GLU A 91 35.722 14.392 1.773 1.00 0.00 N ATOM 515 CA GLU A 91 36.620 13.652 0.893 1.00 0.00 C ATOM 516 C GLU A 91 36.312 12.158 0.934 1.00 0.00 C ATOM 517 O GLU A 91 36.109 11.526 -0.104 1.00 0.00 O ATOM 518 CB GLU A 91 38.077 13.895 1.293 1.00 0.00 C ATOM 519 CG GLU A 91 38.398 15.355 1.563 1.00 0.00 C ATOM 520 CD GLU A 91 38.104 16.248 0.373 1.00 0.00 C ATOM 521 OE1 GLU A 91 38.513 15.890 -0.751 1.00 0.00 O ATOM 522 OE2 GLU A 91 37.466 17.303 0.566 1.00 0.00 O ATOM 0 H GLU A 91 36.193 14.928 2.502 1.00 0.00 H new ATOM 0 HA GLU A 91 36.466 14.010 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.302 13.311 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.729 13.529 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 91 37.819 15.697 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 91 39.451 15.448 1.831 1.00 0.00 H new ATOM 529 N LEU A 92 36.279 11.599 2.138 1.00 0.00 N ATOM 530 CA LEU A 92 35.997 10.179 2.316 1.00 0.00 C ATOM 531 C LEU A 92 34.619 9.825 1.765 1.00 0.00 C ATOM 532 O LEU A 92 34.478 8.899 0.967 1.00 0.00 O ATOM 533 CB LEU A 92 36.078 9.804 3.796 1.00 0.00 C ATOM 534 CG LEU A 92 37.486 9.660 4.375 1.00 0.00 C ATOM 535 CD1 LEU A 92 38.287 8.637 3.585 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.199 11.005 4.386 1.00 0.00 C ATOM 0 H LEU A 92 36.444 12.108 3.007 1.00 0.00 H new ATOM 0 HA LEU A 92 36.746 9.613 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.546 10.561 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 92 35.549 8.862 3.941 1.00 0.00 H new ATOM 0 HG LEU A 92 37.400 9.308 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 92 39.286 8.549 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 92 37.786 7.670 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 92 38.364 8.958 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.199 10.883 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.273 11.386 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 92 37.636 11.710 4.997 1.00 0.00 H new ATOM 548 N ALA A 93 33.606 10.570 2.195 1.00 0.00 N ATOM 549 CA ALA A 93 32.240 10.338 1.742 1.00 0.00 C ATOM 550 C ALA A 93 32.158 10.347 0.219 1.00 0.00 C ATOM 551 O ALA A 93 31.705 9.380 -0.394 1.00 0.00 O ATOM 552 CB ALA A 93 31.304 11.383 2.330 1.00 0.00 C ATOM 0 H ALA A 93 33.706 11.340 2.857 1.00 0.00 H new ATOM 0 HA ALA A 93 31.930 9.353 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.287 11.197 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.332 11.326 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.621 12.376 2.011 1.00 0.00 H new ATOM 558 N LEU A 94 32.597 11.445 -0.385 1.00 0.00 N ATOM 559 CA LEU A 94 32.572 11.581 -1.838 1.00 0.00 C ATOM 560 C LEU A 94 33.446 10.519 -2.498 1.00 0.00 C ATOM 561 O LEU A 94 33.104 9.991 -3.556 1.00 0.00 O ATOM 562 CB LEU A 94 33.047 12.976 -2.247 1.00 0.00 C ATOM 563 CG LEU A 94 31.965 14.052 -2.344 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.531 15.413 -1.970 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.370 14.086 -3.744 1.00 0.00 C ATOM 0 H LEU A 94 32.975 12.254 0.108 1.00 0.00 H new ATOM 0 HA LEU A 94 31.545 11.441 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.797 13.307 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.543 12.900 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 94 31.171 13.806 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.747 16.166 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 94 32.908 15.382 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.345 15.668 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.602 14.858 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 94 32.155 14.307 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 94 30.927 13.117 -3.975 1.00 0.00 H new ATOM 577 N GLU A 95 34.574 10.211 -1.866 1.00 0.00 N ATOM 578 CA GLU A 95 35.495 9.211 -2.393 1.00 0.00 C ATOM 579 C GLU A 95 34.775 7.892 -2.656 1.00 0.00 C ATOM 580 O GLU A 95 34.747 7.400 -3.785 1.00 0.00 O ATOM 581 CB GLU A 95 36.653 8.987 -1.417 1.00 0.00 C ATOM 582 CG GLU A 95 37.627 7.911 -1.866 1.00 0.00 C ATOM 583 CD GLU A 95 38.247 8.211 -3.217 1.00 0.00 C ATOM 584 OE1 GLU A 95 37.505 8.210 -4.222 1.00 0.00 O ATOM 585 OE2 GLU A 95 39.471 8.448 -3.270 1.00 0.00 O ATOM 0 H GLU A 95 34.872 10.639 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 95 35.892 9.583 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 95 37.194 9.924 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.248 8.715 -0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 95 38.417 7.809 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 95 37.108 6.954 -1.913 1.00 0.00 H new ATOM 592 N LEU A 96 34.193 7.323 -1.606 1.00 0.00 N ATOM 593 CA LEU A 96 33.472 6.060 -1.721 1.00 0.00 C ATOM 594 C LEU A 96 32.289 6.194 -2.674 1.00 0.00 C ATOM 595 O LEU A 96 32.031 5.307 -3.490 1.00 0.00 O ATOM 596 CB LEU A 96 32.984 5.601 -0.346 1.00 0.00 C ATOM 597 CG LEU A 96 32.376 4.199 -0.283 1.00 0.00 C ATOM 598 CD1 LEU A 96 33.471 3.145 -0.215 1.00 0.00 C ATOM 599 CD2 LEU A 96 31.441 4.077 0.911 1.00 0.00 C ATOM 0 H LEU A 96 34.206 7.716 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 96 34.157 5.314 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.824 5.643 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.240 6.314 0.010 1.00 0.00 H new ATOM 0 HG LEU A 96 31.797 4.033 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.020 2.154 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 96 34.101 3.217 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 96 34.078 3.308 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 96 31.017 3.073 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 96 31.998 4.263 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.637 4.807 0.820 1.00 0.00 H new ATOM 611 N LEU A 97 31.573 7.308 -2.568 1.00 0.00 N ATOM 612 CA LEU A 97 30.418 7.560 -3.422 1.00 0.00 C ATOM 613 C LEU A 97 30.807 7.500 -4.896 1.00 0.00 C ATOM 614 O LEU A 97 30.143 6.845 -5.697 1.00 0.00 O ATOM 615 CB LEU A 97 29.808 8.925 -3.099 1.00 0.00 C ATOM 616 CG LEU A 97 28.293 9.042 -3.275 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.789 10.358 -2.704 1.00 0.00 C ATOM 618 CD2 LEU A 97 27.916 8.916 -4.744 1.00 0.00 C ATOM 0 H LEU A 97 31.772 8.051 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 97 29.678 6.783 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 97 30.054 9.176 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.286 9.673 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 97 27.819 8.227 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.709 10.423 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 97 28.026 10.408 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.270 11.187 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.835 9.002 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.401 9.709 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.242 7.947 -5.122 1.00 0.00 H new ATOM 630 N ASN A 98 31.889 8.189 -5.245 1.00 0.00 N ATOM 631 CA ASN A 98 32.368 8.213 -6.623 1.00 0.00 C ATOM 632 C ASN A 98 33.020 6.885 -6.995 1.00 0.00 C ATOM 633 O ASN A 98 33.014 6.483 -8.159 1.00 0.00 O ATOM 634 CB ASN A 98 33.366 9.356 -6.818 1.00 0.00 C ATOM 635 CG ASN A 98 32.710 10.608 -7.368 1.00 0.00 C ATOM 636 OD1 ASN A 98 31.556 10.905 -7.058 1.00 0.00 O ATOM 637 ND2 ASN A 98 33.444 11.349 -8.189 1.00 0.00 N ATOM 0 H ASN A 98 32.450 8.738 -4.594 1.00 0.00 H new ATOM 0 HA ASN A 98 31.511 8.373 -7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 98 33.841 9.587 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 98 34.155 9.034 -7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 98 33.056 12.203 -8.590 1.00 0.00 H new ATOM 0 HD22 ASN A 98 34.396 11.065 -8.419 1.00 0.00 H new ATOM 644 N TYR A 99 33.582 6.208 -5.999 1.00 0.00 N ATOM 645 CA TYR A 99 34.240 4.926 -6.221 1.00 0.00 C ATOM 646 C TYR A 99 33.234 3.866 -6.658 1.00 0.00 C ATOM 647 O TYR A 99 33.518 3.046 -7.532 1.00 0.00 O ATOM 648 CB TYR A 99 34.958 4.471 -4.950 1.00 0.00 C ATOM 649 CG TYR A 99 36.465 4.459 -5.078 1.00 0.00 C ATOM 650 CD1 TYR A 99 37.102 3.584 -5.949 1.00 0.00 C ATOM 651 CD2 TYR A 99 37.252 5.324 -4.327 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.478 3.570 -6.068 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.628 5.318 -4.440 1.00 0.00 C ATOM 654 CZ TYR A 99 39.237 4.439 -5.311 1.00 0.00 C ATOM 655 OH TYR A 99 40.608 4.428 -5.428 1.00 0.00 O ATOM 0 H TYR A 99 33.595 6.526 -5.030 1.00 0.00 H new ATOM 0 HA TYR A 99 34.973 5.055 -7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.677 5.129 -4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.616 3.470 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 99 36.511 2.903 -6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 99 36.779 6.013 -3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 99 38.957 2.883 -6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 99 39.224 5.998 -3.850 1.00 0.00 H new ATOM 0 HH TYR A 99 40.993 5.101 -4.828 1.00 0.00 H new ATOM 665 N LEU A 100 32.056 3.888 -6.043 1.00 0.00 N ATOM 666 CA LEU A 100 31.005 2.930 -6.368 1.00 0.00 C ATOM 667 C LEU A 100 29.625 3.551 -6.180 1.00 0.00 C ATOM 668 O LEU A 100 29.298 4.049 -5.104 1.00 0.00 O ATOM 669 CB LEU A 100 31.138 1.682 -5.493 1.00 0.00 C ATOM 670 CG LEU A 100 30.041 0.629 -5.655 1.00 0.00 C ATOM 671 CD1 LEU A 100 30.259 -0.178 -6.926 1.00 0.00 C ATOM 672 CD2 LEU A 100 29.998 -0.287 -4.441 1.00 0.00 C ATOM 0 H LEU A 100 31.805 4.559 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 100 31.116 2.647 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.098 1.213 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 100 31.162 1.995 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 100 29.082 1.141 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 100 29.469 -0.922 -7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 100 30.239 0.489 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 100 31.226 -0.679 -6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 100 29.212 -1.030 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 100 30.958 -0.791 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 100 29.793 0.303 -3.547 1.00 0.00 H new ATOM 684 N ASN A 101 28.818 3.517 -7.236 1.00 0.00 N ATOM 685 CA ASN A 101 27.472 4.076 -7.187 1.00 0.00 C ATOM 686 C ASN A 101 26.599 3.306 -6.201 1.00 0.00 C ATOM 687 O ASN A 101 25.910 3.900 -5.372 1.00 0.00 O ATOM 688 CB ASN A 101 26.835 4.048 -8.578 1.00 0.00 C ATOM 689 CG ASN A 101 27.123 5.309 -9.371 1.00 0.00 C ATOM 690 OD1 ASN A 101 27.411 6.361 -8.801 1.00 0.00 O ATOM 691 ND2 ASN A 101 27.046 5.207 -10.693 1.00 0.00 N ATOM 0 H ASN A 101 29.073 3.109 -8.135 1.00 0.00 H new ATOM 0 HA ASN A 101 27.547 5.110 -6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 101 27.207 3.183 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 101 25.757 3.923 -8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.229 6.022 -11.279 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.804 4.314 -11.122 1.00 0.00 H new ATOM 698 N GLU A 102 26.633 1.980 -6.298 1.00 0.00 N ATOM 699 CA GLU A 102 25.845 1.129 -5.414 1.00 0.00 C ATOM 700 C GLU A 102 26.107 1.473 -3.951 1.00 0.00 C ATOM 701 O GLU A 102 25.225 1.342 -3.102 1.00 0.00 O ATOM 702 CB GLU A 102 26.166 -0.345 -5.669 1.00 0.00 C ATOM 703 CG GLU A 102 25.135 -1.301 -5.093 1.00 0.00 C ATOM 704 CD GLU A 102 25.140 -2.650 -5.785 1.00 0.00 C ATOM 705 OE1 GLU A 102 24.680 -2.725 -6.944 1.00 0.00 O ATOM 706 OE2 GLU A 102 25.604 -3.631 -5.168 1.00 0.00 O ATOM 0 H GLU A 102 27.197 1.473 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 102 24.791 1.306 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 102 26.242 -0.511 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 102 27.142 -0.575 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 102 25.329 -1.442 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 102 24.144 -0.856 -5.180 1.00 0.00 H new ATOM 713 N LYS A 103 27.327 1.914 -3.663 1.00 0.00 N ATOM 714 CA LYS A 103 27.708 2.278 -2.303 1.00 0.00 C ATOM 715 C LYS A 103 27.112 3.627 -1.913 1.00 0.00 C ATOM 716 O LYS A 103 26.410 4.257 -2.703 1.00 0.00 O ATOM 717 CB LYS A 103 29.232 2.326 -2.174 1.00 0.00 C ATOM 718 CG LYS A 103 29.830 1.076 -1.552 1.00 0.00 C ATOM 719 CD LYS A 103 29.768 1.124 -0.034 1.00 0.00 C ATOM 720 CE LYS A 103 31.062 0.626 0.592 1.00 0.00 C ATOM 721 NZ LYS A 103 31.075 -0.856 0.732 1.00 0.00 N ATOM 0 H LYS A 103 28.069 2.028 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 103 27.316 1.518 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 103 29.667 2.474 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.510 3.190 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 103 29.294 0.198 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 103 30.867 0.970 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 103 29.575 2.146 0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 103 28.935 0.515 0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 103 31.907 0.940 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 103 31.191 1.085 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 31.247 -1.109 1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 30.157 -1.241 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 31.830 -1.254 0.138 1.00 0.00 H new ATOM 735 N GLY A 104 27.398 4.064 -0.691 1.00 0.00 N ATOM 736 CA GLY A 104 26.883 5.336 -0.219 1.00 0.00 C ATOM 737 C GLY A 104 25.395 5.289 0.068 1.00 0.00 C ATOM 738 O GLY A 104 24.981 5.015 1.195 1.00 0.00 O ATOM 0 H GLY A 104 27.977 3.560 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 104 27.415 5.626 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 104 27.082 6.105 -0.966 1.00 0.00 H new ATOM 742 N PHE A 105 24.588 5.557 -0.953 1.00 0.00 N ATOM 743 CA PHE A 105 23.137 5.546 -0.804 1.00 0.00 C ATOM 744 C PHE A 105 22.666 4.243 -0.164 1.00 0.00 C ATOM 745 O PHE A 105 22.777 3.170 -0.759 1.00 0.00 O ATOM 746 CB PHE A 105 22.463 5.732 -2.164 1.00 0.00 C ATOM 747 CG PHE A 105 20.985 5.461 -2.143 1.00 0.00 C ATOM 748 CD1 PHE A 105 20.160 6.115 -1.243 1.00 0.00 C ATOM 749 CD2 PHE A 105 20.422 4.552 -3.024 1.00 0.00 C ATOM 750 CE1 PHE A 105 18.801 5.867 -1.220 1.00 0.00 C ATOM 751 CE2 PHE A 105 19.063 4.300 -3.007 1.00 0.00 C ATOM 752 CZ PHE A 105 18.251 4.959 -2.104 1.00 0.00 C ATOM 0 H PHE A 105 24.914 5.784 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 105 22.857 6.373 -0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.632 6.752 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 105 22.936 5.069 -2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.584 6.827 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 105 21.052 4.034 -3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.169 6.382 -0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 105 18.636 3.589 -3.699 1.00 0.00 H new ATOM 0 HZ PHE A 105 17.189 4.765 -2.089 1.00 0.00 H new ATOM 762 N LEU A 106 22.140 4.345 1.052 1.00 0.00 N ATOM 763 CA LEU A 106 21.652 3.176 1.774 1.00 0.00 C ATOM 764 C LEU A 106 22.750 2.128 1.920 1.00 0.00 C ATOM 765 O LEU A 106 22.471 0.936 2.056 1.00 0.00 O ATOM 766 CB LEU A 106 20.447 2.571 1.051 1.00 0.00 C ATOM 767 CG LEU A 106 19.101 3.251 1.306 1.00 0.00 C ATOM 768 CD1 LEU A 106 18.070 2.792 0.287 1.00 0.00 C ATOM 769 CD2 LEU A 106 18.619 2.966 2.721 1.00 0.00 C ATOM 0 H LEU A 106 22.041 5.225 1.558 1.00 0.00 H new ATOM 0 HA LEU A 106 21.347 3.497 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.644 2.591 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 106 20.363 1.524 1.341 1.00 0.00 H new ATOM 0 HG LEU A 106 19.233 4.328 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 106 17.119 3.286 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 106 18.411 3.048 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 106 17.940 1.712 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 106 17.660 3.458 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 106 18.503 1.891 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 106 19.348 3.345 3.437 1.00 0.00 H new ATOM 781 N SER A 107 24.000 2.579 1.891 1.00 0.00 N ATOM 782 CA SER A 107 25.141 1.680 2.018 1.00 0.00 C ATOM 783 C SER A 107 24.983 0.770 3.233 1.00 0.00 C ATOM 784 O SER A 107 24.100 0.974 4.066 1.00 0.00 O ATOM 785 CB SER A 107 26.439 2.482 2.133 1.00 0.00 C ATOM 786 OG SER A 107 27.569 1.657 1.916 1.00 0.00 O ATOM 0 H SER A 107 24.248 3.562 1.781 1.00 0.00 H new ATOM 0 HA SER A 107 25.184 1.059 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 107 26.433 3.295 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 107 26.502 2.938 3.121 1.00 0.00 H new ATOM 0 HG SER A 107 27.809 1.205 2.752 1.00 0.00 H new ATOM 792 N LYS A 108 25.846 -0.235 3.326 1.00 0.00 N ATOM 793 CA LYS A 108 25.806 -1.178 4.438 1.00 0.00 C ATOM 794 C LYS A 108 26.076 -0.469 5.762 1.00 0.00 C ATOM 795 O LYS A 108 25.972 0.754 5.855 1.00 0.00 O ATOM 796 CB LYS A 108 26.831 -2.293 4.226 1.00 0.00 C ATOM 797 CG LYS A 108 26.812 -2.878 2.824 1.00 0.00 C ATOM 798 CD LYS A 108 25.423 -3.358 2.439 1.00 0.00 C ATOM 799 CE LYS A 108 24.766 -2.419 1.439 1.00 0.00 C ATOM 800 NZ LYS A 108 23.867 -3.148 0.502 1.00 0.00 N ATOM 0 H LYS A 108 26.582 -0.418 2.644 1.00 0.00 H new ATOM 0 HA LYS A 108 24.808 -1.614 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.827 -1.904 4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 108 26.643 -3.090 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 108 27.149 -2.126 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 108 27.514 -3.710 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 108 25.488 -4.359 2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 108 24.802 -3.433 3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 108 24.195 -1.660 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 108 25.536 -1.897 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 23.439 -2.473 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 24.417 -3.855 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 23.117 -3.626 1.041 1.00 0.00 H new ATOM 814 N SER A 109 26.426 -1.246 6.783 1.00 0.00 N ATOM 815 CA SER A 109 26.710 -0.692 8.102 1.00 0.00 C ATOM 816 C SER A 109 27.929 0.224 8.056 1.00 0.00 C ATOM 817 O SER A 109 28.803 0.071 7.202 1.00 0.00 O ATOM 818 CB SER A 109 26.941 -1.818 9.111 1.00 0.00 C ATOM 819 OG SER A 109 25.914 -2.792 9.034 1.00 0.00 O ATOM 0 H SER A 109 26.520 -2.260 6.722 1.00 0.00 H new ATOM 0 HA SER A 109 25.848 -0.104 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.906 -2.287 8.922 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.980 -1.405 10.119 1.00 0.00 H new ATOM 0 HG SER A 109 26.086 -3.501 9.688 1.00 0.00 H new ATOM 825 N VAL A 110 27.980 1.177 8.981 1.00 0.00 N ATOM 826 CA VAL A 110 29.092 2.118 9.049 1.00 0.00 C ATOM 827 C VAL A 110 30.431 1.389 9.029 1.00 0.00 C ATOM 828 O VAL A 110 31.409 1.884 8.471 1.00 0.00 O ATOM 829 CB VAL A 110 29.013 2.990 10.316 1.00 0.00 C ATOM 830 CG1 VAL A 110 27.887 4.006 10.196 1.00 0.00 C ATOM 831 CG2 VAL A 110 28.827 2.120 11.550 1.00 0.00 C ATOM 0 H VAL A 110 27.264 1.318 9.694 1.00 0.00 H new ATOM 0 HA VAL A 110 29.018 2.759 8.171 1.00 0.00 H new ATOM 0 HB VAL A 110 29.952 3.534 10.421 1.00 0.00 H new ATOM 0 HG11 VAL A 110 27.847 4.613 11.100 1.00 0.00 H new ATOM 0 HG12 VAL A 110 28.068 4.649 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 110 26.939 3.485 10.066 1.00 0.00 H new ATOM 0 HG21 VAL A 110 28.773 2.752 12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 110 27.904 1.548 11.456 1.00 0.00 H new ATOM 0 HG23 VAL A 110 29.670 1.436 11.643 1.00 0.00 H new ATOM 841 N GLU A 111 30.466 0.210 9.642 1.00 0.00 N ATOM 842 CA GLU A 111 31.686 -0.587 9.695 1.00 0.00 C ATOM 843 C GLU A 111 32.137 -0.983 8.292 1.00 0.00 C ATOM 844 O GLU A 111 33.320 -0.898 7.963 1.00 0.00 O ATOM 845 CB GLU A 111 31.467 -1.840 10.545 1.00 0.00 C ATOM 846 CG GLU A 111 31.288 -1.547 12.026 1.00 0.00 C ATOM 847 CD GLU A 111 30.891 -2.776 12.820 1.00 0.00 C ATOM 848 OE1 GLU A 111 31.733 -3.687 12.964 1.00 0.00 O ATOM 849 OE2 GLU A 111 29.739 -2.826 13.298 1.00 0.00 O ATOM 0 H GLU A 111 29.664 -0.214 10.109 1.00 0.00 H new ATOM 0 HA GLU A 111 32.467 0.020 10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.587 -2.368 10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 111 32.317 -2.510 10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 111 32.218 -1.144 12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 111 30.527 -0.777 12.151 1.00 0.00 H new ATOM 856 N GLU A 112 31.186 -1.418 7.471 1.00 0.00 N ATOM 857 CA GLU A 112 31.487 -1.830 6.105 1.00 0.00 C ATOM 858 C GLU A 112 32.217 -0.722 5.352 1.00 0.00 C ATOM 859 O GLU A 112 33.357 -0.898 4.919 1.00 0.00 O ATOM 860 CB GLU A 112 30.200 -2.202 5.366 1.00 0.00 C ATOM 861 CG GLU A 112 29.731 -3.622 5.636 1.00 0.00 C ATOM 862 CD GLU A 112 29.931 -4.037 7.081 1.00 0.00 C ATOM 863 OE1 GLU A 112 31.079 -4.361 7.451 1.00 0.00 O ATOM 864 OE2 GLU A 112 28.941 -4.038 7.841 1.00 0.00 O ATOM 0 H GLU A 112 30.202 -1.494 7.728 1.00 0.00 H new ATOM 0 HA GLU A 112 32.137 -2.704 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.412 -1.507 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 112 30.358 -2.078 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 112 28.675 -3.707 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 112 30.272 -4.309 4.986 1.00 0.00 H new ATOM 871 N ILE A 113 31.553 0.418 5.198 1.00 0.00 N ATOM 872 CA ILE A 113 32.138 1.555 4.497 1.00 0.00 C ATOM 873 C ILE A 113 33.488 1.934 5.096 1.00 0.00 C ATOM 874 O ILE A 113 34.459 2.157 4.374 1.00 0.00 O ATOM 875 CB ILE A 113 31.208 2.781 4.539 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.966 2.536 3.680 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.948 4.024 4.066 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.908 3.607 3.827 1.00 0.00 C ATOM 0 H ILE A 113 30.609 0.579 5.549 1.00 0.00 H new ATOM 0 HA ILE A 113 32.276 1.250 3.460 1.00 0.00 H new ATOM 0 HB ILE A 113 30.889 2.941 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 113 30.265 2.473 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 113 29.534 1.571 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.277 4.882 4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.805 4.206 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.293 3.875 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 113 28.057 3.368 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.581 3.655 4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 113 29.323 4.571 3.532 1.00 0.00 H new ATOM 890 N SER A 114 33.542 2.003 6.423 1.00 0.00 N ATOM 891 CA SER A 114 34.773 2.357 7.120 1.00 0.00 C ATOM 892 C SER A 114 35.898 1.391 6.761 1.00 0.00 C ATOM 893 O SER A 114 37.017 1.808 6.463 1.00 0.00 O ATOM 894 CB SER A 114 34.545 2.354 8.633 1.00 0.00 C ATOM 895 OG SER A 114 35.653 1.790 9.314 1.00 0.00 O ATOM 0 H SER A 114 32.748 1.819 7.036 1.00 0.00 H new ATOM 0 HA SER A 114 35.065 3.359 6.805 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.381 3.374 8.981 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.643 1.788 8.867 1.00 0.00 H new ATOM 0 HG SER A 114 36.435 2.371 9.204 1.00 0.00 H new ATOM 901 N ASP A 115 35.591 0.099 6.793 1.00 0.00 N ATOM 902 CA ASP A 115 36.575 -0.928 6.471 1.00 0.00 C ATOM 903 C ASP A 115 37.003 -0.831 5.010 1.00 0.00 C ATOM 904 O ASP A 115 38.149 -1.123 4.667 1.00 0.00 O ATOM 905 CB ASP A 115 36.005 -2.318 6.756 1.00 0.00 C ATOM 906 CG ASP A 115 36.946 -3.171 7.585 1.00 0.00 C ATOM 907 OD1 ASP A 115 37.316 -2.736 8.695 1.00 0.00 O ATOM 908 OD2 ASP A 115 37.312 -4.272 7.123 1.00 0.00 O ATOM 0 H ASP A 115 34.669 -0.262 7.038 1.00 0.00 H new ATOM 0 HA ASP A 115 37.451 -0.767 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 115 35.054 -2.217 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 115 35.798 -2.823 5.813 1.00 0.00 H new ATOM 913 N VAL A 116 36.075 -0.419 4.152 1.00 0.00 N ATOM 914 CA VAL A 116 36.356 -0.283 2.728 1.00 0.00 C ATOM 915 C VAL A 116 37.182 0.967 2.448 1.00 0.00 C ATOM 916 O VAL A 116 38.010 0.986 1.536 1.00 0.00 O ATOM 917 CB VAL A 116 35.057 -0.223 1.903 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.370 -0.017 0.429 1.00 0.00 C ATOM 919 CG2 VAL A 116 34.235 -1.486 2.111 1.00 0.00 C ATOM 0 H VAL A 116 35.122 -0.174 4.419 1.00 0.00 H new ATOM 0 HA VAL A 116 36.925 -1.164 2.432 1.00 0.00 H new ATOM 0 HB VAL A 116 34.467 0.627 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.440 0.023 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 116 35.914 0.919 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 116 35.980 -0.845 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 116 33.321 -1.426 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 116 34.815 -2.353 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 116 33.980 -1.584 3.166 1.00 0.00 H new ATOM 929 N LEU A 117 36.951 2.011 3.237 1.00 0.00 N ATOM 930 CA LEU A 117 37.674 3.267 3.074 1.00 0.00 C ATOM 931 C LEU A 117 38.922 3.294 3.951 1.00 0.00 C ATOM 932 O LEU A 117 39.700 4.248 3.912 1.00 0.00 O ATOM 933 CB LEU A 117 36.767 4.449 3.422 1.00 0.00 C ATOM 934 CG LEU A 117 36.591 5.504 2.329 1.00 0.00 C ATOM 935 CD1 LEU A 117 36.185 4.851 1.017 1.00 0.00 C ATOM 936 CD2 LEU A 117 35.562 6.542 2.751 1.00 0.00 C ATOM 0 H LEU A 117 36.269 2.012 3.995 1.00 0.00 H new ATOM 0 HA LEU A 117 37.982 3.348 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.783 4.061 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 117 37.166 4.938 4.311 1.00 0.00 H new ATOM 0 HG LEU A 117 37.546 6.008 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 117 36.064 5.617 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 117 36.957 4.147 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 117 35.242 4.321 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 117 35.450 7.285 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 117 34.604 6.053 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 117 35.894 7.033 3.666 1.00 0.00 H new ATOM 948 N ARG A 118 39.109 2.241 4.739 1.00 0.00 N ATOM 949 CA ARG A 118 40.263 2.143 5.624 1.00 0.00 C ATOM 950 C ARG A 118 40.305 3.320 6.594 1.00 0.00 C ATOM 951 O ARG A 118 41.354 3.636 7.157 1.00 0.00 O ATOM 952 CB ARG A 118 41.556 2.096 4.807 1.00 0.00 C ATOM 953 CG ARG A 118 41.715 0.823 3.992 1.00 0.00 C ATOM 954 CD ARG A 118 41.243 1.016 2.560 1.00 0.00 C ATOM 955 NE ARG A 118 42.312 1.503 1.692 1.00 0.00 N ATOM 956 CZ ARG A 118 43.273 0.727 1.203 1.00 0.00 C ATOM 957 NH1 ARG A 118 43.297 -0.566 1.494 1.00 0.00 N ATOM 958 NH2 ARG A 118 44.211 1.244 0.420 1.00 0.00 N ATOM 0 H ARG A 118 38.475 1.443 4.783 1.00 0.00 H new ATOM 0 HA ARG A 118 40.171 1.222 6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.582 2.954 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.406 2.194 5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 118 42.761 0.517 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 118 41.147 0.018 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 118 40.864 0.070 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 118 40.413 1.722 2.544 1.00 0.00 H new ATOM 0 HE ARG A 118 42.321 2.493 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 118 42.577 -0.967 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 118 44.036 -1.160 1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 118 44.195 2.238 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 118 44.948 0.647 0.045 1.00 0.00 H new ATOM 972 N CYS A 119 39.159 3.964 6.785 1.00 0.00 N ATOM 973 CA CYS A 119 39.064 5.107 7.686 1.00 0.00 C ATOM 974 C CYS A 119 38.235 4.760 8.918 1.00 0.00 C ATOM 975 O CYS A 119 37.529 3.752 8.940 1.00 0.00 O ATOM 976 CB CYS A 119 38.448 6.304 6.962 1.00 0.00 C ATOM 977 SG CYS A 119 39.426 7.821 7.080 1.00 0.00 S ATOM 0 H CYS A 119 38.282 3.714 6.328 1.00 0.00 H new ATOM 0 HA CYS A 119 40.072 5.368 8.010 1.00 0.00 H new ATOM 0 HB2 CYS A 119 38.316 6.050 5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 119 37.455 6.491 7.372 1.00 0.00 H new ATOM 0 HG CYS A 119 38.633 8.837 7.249 1.00 0.00 H new ATOM 983 N SER A 120 38.327 5.602 9.943 1.00 0.00 N ATOM 984 CA SER A 120 37.589 5.382 11.181 1.00 0.00 C ATOM 985 C SER A 120 36.085 5.461 10.939 1.00 0.00 C ATOM 986 O SER A 120 35.616 6.260 10.128 1.00 0.00 O ATOM 987 CB SER A 120 38.002 6.411 12.235 1.00 0.00 C ATOM 988 OG SER A 120 39.397 6.361 12.478 1.00 0.00 O ATOM 0 H SER A 120 38.905 6.442 9.940 1.00 0.00 H new ATOM 0 HA SER A 120 37.829 4.383 11.545 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.724 7.410 11.901 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.461 6.223 13.163 1.00 0.00 H new ATOM 0 HG SER A 120 39.635 7.029 13.154 1.00 0.00 H new ATOM 994 N VAL A 121 35.332 4.626 11.648 1.00 0.00 N ATOM 995 CA VAL A 121 33.881 4.600 11.512 1.00 0.00 C ATOM 996 C VAL A 121 33.262 5.910 11.985 1.00 0.00 C ATOM 997 O VAL A 121 32.268 6.375 11.428 1.00 0.00 O ATOM 998 CB VAL A 121 33.263 3.436 12.309 1.00 0.00 C ATOM 999 CG1 VAL A 121 31.744 3.524 12.292 1.00 0.00 C ATOM 1000 CG2 VAL A 121 33.734 2.101 11.752 1.00 0.00 C ATOM 0 H VAL A 121 35.704 3.958 12.323 1.00 0.00 H new ATOM 0 HA VAL A 121 33.665 4.460 10.453 1.00 0.00 H new ATOM 0 HB VAL A 121 33.596 3.510 13.344 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.325 2.693 12.860 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.429 4.466 12.741 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.388 3.476 11.263 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.288 1.289 12.327 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.432 2.015 10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 121 34.820 2.041 11.822 1.00 0.00 H new ATOM 1010 N GLU A 122 33.857 6.502 13.016 1.00 0.00 N ATOM 1011 CA GLU A 122 33.362 7.760 13.564 1.00 0.00 C ATOM 1012 C GLU A 122 33.180 8.799 12.462 1.00 0.00 C ATOM 1013 O GLU A 122 32.142 9.455 12.379 1.00 0.00 O ATOM 1014 CB GLU A 122 34.325 8.292 14.628 1.00 0.00 C ATOM 1015 CG GLU A 122 35.769 8.364 14.160 1.00 0.00 C ATOM 1016 CD GLU A 122 36.741 8.593 15.301 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.535 8.006 16.384 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.708 9.360 15.111 1.00 0.00 O ATOM 0 H GLU A 122 34.682 6.131 13.488 1.00 0.00 H new ATOM 0 HA GLU A 122 32.392 7.570 14.024 1.00 0.00 H new ATOM 0 HB2 GLU A 122 34.001 9.287 14.934 1.00 0.00 H new ATOM 0 HB3 GLU A 122 34.269 7.653 15.509 1.00 0.00 H new ATOM 0 HG2 GLU A 122 36.028 7.437 13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 122 35.872 9.170 13.433 1.00 0.00 H new ATOM 1025 N GLU A 123 34.197 8.943 11.618 1.00 0.00 N ATOM 1026 CA GLU A 123 34.150 9.904 10.522 1.00 0.00 C ATOM 1027 C GLU A 123 33.046 9.545 9.532 1.00 0.00 C ATOM 1028 O GLU A 123 32.361 10.421 9.003 1.00 0.00 O ATOM 1029 CB GLU A 123 35.499 9.956 9.802 1.00 0.00 C ATOM 1030 CG GLU A 123 36.006 11.369 9.563 1.00 0.00 C ATOM 1031 CD GLU A 123 37.021 11.807 10.601 1.00 0.00 C ATOM 1032 OE1 GLU A 123 38.163 11.301 10.564 1.00 0.00 O ATOM 1033 OE2 GLU A 123 36.675 12.655 11.449 1.00 0.00 O ATOM 0 H GLU A 123 35.063 8.407 11.672 1.00 0.00 H new ATOM 0 HA GLU A 123 33.933 10.886 10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.236 9.409 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.410 9.444 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 123 36.457 11.427 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 123 35.163 12.060 9.570 1.00 0.00 H new ATOM 1040 N LEU A 124 32.879 8.250 9.285 1.00 0.00 N ATOM 1041 CA LEU A 124 31.858 7.773 8.358 1.00 0.00 C ATOM 1042 C LEU A 124 30.461 7.982 8.932 1.00 0.00 C ATOM 1043 O LEU A 124 29.501 8.192 8.191 1.00 0.00 O ATOM 1044 CB LEU A 124 32.078 6.292 8.045 1.00 0.00 C ATOM 1045 CG LEU A 124 31.104 5.666 7.046 1.00 0.00 C ATOM 1046 CD1 LEU A 124 29.842 5.197 7.752 1.00 0.00 C ATOM 1047 CD2 LEU A 124 30.763 6.656 5.941 1.00 0.00 C ATOM 0 H LEU A 124 33.437 7.512 9.714 1.00 0.00 H new ATOM 0 HA LEU A 124 31.941 8.349 7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 124 33.091 6.169 7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 124 32.021 5.731 8.978 1.00 0.00 H new ATOM 0 HG LEU A 124 31.586 4.799 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 124 29.161 4.755 7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 124 30.102 4.453 8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.357 6.047 8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.069 6.193 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.302 7.543 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 124 31.674 6.942 5.415 1.00 0.00 H new ATOM 1059 N GLU A 125 30.355 7.925 10.256 1.00 0.00 N ATOM 1060 CA GLU A 125 29.075 8.110 10.928 1.00 0.00 C ATOM 1061 C GLU A 125 28.654 9.576 10.904 1.00 0.00 C ATOM 1062 O GLU A 125 27.511 9.901 10.582 1.00 0.00 O ATOM 1063 CB GLU A 125 29.157 7.615 12.374 1.00 0.00 C ATOM 1064 CG GLU A 125 28.579 8.591 13.385 1.00 0.00 C ATOM 1065 CD GLU A 125 28.449 7.988 14.770 1.00 0.00 C ATOM 1066 OE1 GLU A 125 27.692 7.006 14.920 1.00 0.00 O ATOM 1067 OE2 GLU A 125 29.104 8.497 15.703 1.00 0.00 O ATOM 0 H GLU A 125 31.140 7.752 10.884 1.00 0.00 H new ATOM 0 HA GLU A 125 28.326 7.526 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 125 28.628 6.665 12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 125 30.200 7.421 12.624 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.215 9.475 13.436 1.00 0.00 H new ATOM 0 HG3 GLU A 125 27.598 8.923 13.044 1.00 0.00 H new ATOM 1074 N LYS A 126 29.586 10.459 11.248 1.00 0.00 N ATOM 1075 CA LYS A 126 29.314 11.891 11.266 1.00 0.00 C ATOM 1076 C LYS A 126 28.961 12.395 9.870 1.00 0.00 C ATOM 1077 O LYS A 126 28.016 13.165 9.698 1.00 0.00 O ATOM 1078 CB LYS A 126 30.526 12.654 11.804 1.00 0.00 C ATOM 1079 CG LYS A 126 31.808 12.380 11.036 1.00 0.00 C ATOM 1080 CD LYS A 126 32.987 13.127 11.635 1.00 0.00 C ATOM 1081 CE LYS A 126 33.443 12.495 12.941 1.00 0.00 C ATOM 1082 NZ LYS A 126 32.799 13.136 14.121 1.00 0.00 N ATOM 0 H LYS A 126 30.537 10.207 11.518 1.00 0.00 H new ATOM 0 HA LYS A 126 28.462 12.066 11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 126 30.315 13.723 11.772 1.00 0.00 H new ATOM 0 HB3 LYS A 126 30.676 12.389 12.851 1.00 0.00 H new ATOM 0 HG2 LYS A 126 32.014 11.310 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 126 31.680 12.676 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 126 33.814 13.133 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 126 32.709 14.166 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 126 33.207 11.431 12.932 1.00 0.00 H new ATOM 0 HE3 LYS A 126 34.526 12.580 13.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 33.509 13.682 14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 32.042 13.772 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 32.396 12.402 14.738 1.00 0.00 H new ATOM 1096 N VAL A 127 29.726 11.956 8.876 1.00 0.00 N ATOM 1097 CA VAL A 127 29.492 12.360 7.495 1.00 0.00 C ATOM 1098 C VAL A 127 28.168 11.810 6.978 1.00 0.00 C ATOM 1099 O VAL A 127 27.423 12.506 6.288 1.00 0.00 O ATOM 1100 CB VAL A 127 30.629 11.885 6.571 1.00 0.00 C ATOM 1101 CG1 VAL A 127 31.958 12.484 7.007 1.00 0.00 C ATOM 1102 CG2 VAL A 127 30.700 10.366 6.552 1.00 0.00 C ATOM 0 H VAL A 127 30.514 11.320 9.001 1.00 0.00 H new ATOM 0 HA VAL A 127 29.457 13.449 7.486 1.00 0.00 H new ATOM 0 HB VAL A 127 30.418 12.229 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.749 12.137 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.899 13.572 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.180 12.173 8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.509 10.048 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 127 30.887 9.998 7.561 1.00 0.00 H new ATOM 0 HG23 VAL A 127 29.756 9.962 6.187 1.00 0.00 H new ATOM 1112 N ARG A 128 27.882 10.557 7.316 1.00 0.00 N ATOM 1113 CA ARG A 128 26.647 9.913 6.885 1.00 0.00 C ATOM 1114 C ARG A 128 25.433 10.582 7.523 1.00 0.00 C ATOM 1115 O ARG A 128 24.440 10.858 6.850 1.00 0.00 O ATOM 1116 CB ARG A 128 26.671 8.426 7.244 1.00 0.00 C ATOM 1117 CG ARG A 128 27.267 7.547 6.157 1.00 0.00 C ATOM 1118 CD ARG A 128 26.185 6.910 5.299 1.00 0.00 C ATOM 1119 NE ARG A 128 25.373 7.910 4.611 1.00 0.00 N ATOM 1120 CZ ARG A 128 24.157 7.668 4.133 1.00 0.00 C ATOM 1121 NH1 ARG A 128 23.616 6.466 4.269 1.00 0.00 N ATOM 1122 NH2 ARG A 128 23.481 8.630 3.519 1.00 0.00 N ATOM 0 H ARG A 128 28.488 9.968 7.887 1.00 0.00 H new ATOM 0 HA ARG A 128 26.570 10.018 5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.243 8.292 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 128 25.653 8.094 7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 128 27.928 8.143 5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 128 27.878 6.767 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 128 26.646 6.250 4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 128 25.543 6.291 5.926 1.00 0.00 H new ATOM 0 HE ARG A 128 25.761 8.846 4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 128 24.133 5.724 4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 128 22.682 6.282 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 128 23.895 9.556 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 128 22.548 8.443 3.152 1.00 0.00 H new ATOM 1136 N GLN A 129 25.521 10.838 8.824 1.00 0.00 N ATOM 1137 CA GLN A 129 24.429 11.473 9.553 1.00 0.00 C ATOM 1138 C GLN A 129 24.245 12.920 9.106 1.00 0.00 C ATOM 1139 O GLN A 129 23.131 13.442 9.099 1.00 0.00 O ATOM 1140 CB GLN A 129 24.694 11.422 11.058 1.00 0.00 C ATOM 1141 CG GLN A 129 24.701 10.012 11.627 1.00 0.00 C ATOM 1142 CD GLN A 129 23.311 9.515 11.970 1.00 0.00 C ATOM 1143 OE1 GLN A 129 22.315 9.999 11.431 1.00 0.00 O ATOM 1144 NE2 GLN A 129 23.235 8.542 12.870 1.00 0.00 N ATOM 0 H GLN A 129 26.337 10.616 9.395 1.00 0.00 H new ATOM 0 HA GLN A 129 23.513 10.925 9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 129 25.655 11.893 11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 129 23.933 12.009 11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 129 25.157 9.335 10.905 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.322 9.989 12.522 1.00 0.00 H new ATOM 0 HE21 GLN A 129 24.086 8.170 13.292 1.00 0.00 H new ATOM 0 HE22 GLN A 129 22.326 8.167 13.140 1.00 0.00 H new ATOM 1153 N LYS A 130 25.347 13.563 8.732 1.00 0.00 N ATOM 1154 CA LYS A 130 25.308 14.949 8.282 1.00 0.00 C ATOM 1155 C LYS A 130 24.634 15.060 6.919 1.00 0.00 C ATOM 1156 O LYS A 130 23.883 16.001 6.661 1.00 0.00 O ATOM 1157 CB LYS A 130 26.725 15.523 8.211 1.00 0.00 C ATOM 1158 CG LYS A 130 27.124 16.316 9.443 1.00 0.00 C ATOM 1159 CD LYS A 130 27.823 17.612 9.070 1.00 0.00 C ATOM 1160 CE LYS A 130 29.016 17.881 9.975 1.00 0.00 C ATOM 1161 NZ LYS A 130 28.595 18.360 11.321 1.00 0.00 N ATOM 0 H LYS A 130 26.278 13.146 8.732 1.00 0.00 H new ATOM 0 HA LYS A 130 24.726 15.523 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.432 14.705 8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.804 16.166 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 130 26.237 16.538 10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 130 27.783 15.713 10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 130 28.155 17.562 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 130 27.118 18.440 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 130 29.604 16.969 10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 130 29.663 18.625 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 29.437 18.532 11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 28.056 19.244 11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 27.998 17.639 11.775 1.00 0.00 H new ATOM 1175 N VAL A 131 24.906 14.093 6.048 1.00 0.00 N ATOM 1176 CA VAL A 131 24.323 14.081 4.712 1.00 0.00 C ATOM 1177 C VAL A 131 22.952 13.413 4.716 1.00 0.00 C ATOM 1178 O VAL A 131 22.156 13.599 3.794 1.00 0.00 O ATOM 1179 CB VAL A 131 25.235 13.351 3.708 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.603 14.013 3.649 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.361 11.880 4.077 1.00 0.00 C ATOM 0 H VAL A 131 25.527 13.308 6.244 1.00 0.00 H new ATOM 0 HA VAL A 131 24.216 15.121 4.404 1.00 0.00 H new ATOM 0 HB VAL A 131 24.784 13.417 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 131 27.233 13.483 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.492 15.051 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 131 27.066 13.980 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 131 26.009 11.379 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.790 11.791 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.375 11.416 4.063 1.00 0.00 H new ATOM 1191 N LEU A 132 22.682 12.636 5.759 1.00 0.00 N ATOM 1192 CA LEU A 132 21.406 11.940 5.884 1.00 0.00 C ATOM 1193 C LEU A 132 20.367 12.826 6.562 1.00 0.00 C ATOM 1194 O LEU A 132 19.171 12.717 6.290 1.00 0.00 O ATOM 1195 CB LEU A 132 21.585 10.645 6.679 1.00 0.00 C ATOM 1196 CG LEU A 132 20.348 9.755 6.800 1.00 0.00 C ATOM 1197 CD1 LEU A 132 20.751 8.296 6.936 1.00 0.00 C ATOM 1198 CD2 LEU A 132 19.494 10.188 7.983 1.00 0.00 C ATOM 0 H LEU A 132 23.329 12.472 6.530 1.00 0.00 H new ATOM 0 HA LEU A 132 21.052 11.698 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.382 10.064 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 132 21.922 10.902 7.683 1.00 0.00 H new ATOM 0 HG LEU A 132 19.756 9.863 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 132 19.857 7.678 7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 132 21.320 7.992 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.365 8.170 7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 132 18.618 9.544 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 132 20.077 10.110 8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 132 19.175 11.221 7.843 1.00 0.00 H new ATOM 1210 N ARG A 133 20.831 13.706 7.444 1.00 0.00 N ATOM 1211 CA ARG A 133 19.941 14.612 8.160 1.00 0.00 C ATOM 1212 C ARG A 133 19.026 15.355 7.190 1.00 0.00 C ATOM 1213 O ARG A 133 17.895 15.704 7.531 1.00 0.00 O ATOM 1214 CB ARG A 133 20.753 15.615 8.981 1.00 0.00 C ATOM 1215 CG ARG A 133 21.317 16.762 8.158 1.00 0.00 C ATOM 1216 CD ARG A 133 22.448 17.469 8.888 1.00 0.00 C ATOM 1217 NE ARG A 133 22.592 18.858 8.461 1.00 0.00 N ATOM 1218 CZ ARG A 133 21.767 19.830 8.832 1.00 0.00 C ATOM 1219 NH1 ARG A 133 20.744 19.566 9.634 1.00 0.00 N ATOM 1220 NH2 ARG A 133 21.963 21.070 8.401 1.00 0.00 N ATOM 0 H ARG A 133 21.818 13.811 7.680 1.00 0.00 H new ATOM 0 HA ARG A 133 19.323 14.018 8.833 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.121 16.022 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.575 15.091 9.469 1.00 0.00 H new ATOM 0 HG2 ARG A 133 21.681 16.382 7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.524 17.476 7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 133 22.262 17.437 9.962 1.00 0.00 H new ATOM 0 HD3 ARG A 133 23.382 16.937 8.711 1.00 0.00 H new ATOM 0 HE ARG A 133 23.369 19.095 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 133 20.590 18.614 9.967 1.00 0.00 H new ATOM 0 HH12 ARG A 133 20.112 20.315 9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 133 22.748 21.277 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 133 21.328 21.816 8.687 1.00 0.00 H new ATOM 1234 N LEU A 134 19.523 15.593 5.981 1.00 0.00 N ATOM 1235 CA LEU A 134 18.751 16.295 4.962 1.00 0.00 C ATOM 1236 C LEU A 134 17.387 15.642 4.765 1.00 0.00 C ATOM 1237 O LEU A 134 16.364 16.323 4.718 1.00 0.00 O ATOM 1238 CB LEU A 134 19.517 16.313 3.637 1.00 0.00 C ATOM 1239 CG LEU A 134 19.410 17.600 2.818 1.00 0.00 C ATOM 1240 CD1 LEU A 134 17.968 17.851 2.404 1.00 0.00 C ATOM 1241 CD2 LEU A 134 19.953 18.782 3.608 1.00 0.00 C ATOM 0 H LEU A 134 20.457 15.310 5.683 1.00 0.00 H new ATOM 0 HA LEU A 134 18.596 17.320 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 134 20.570 16.126 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 134 19.162 15.485 3.024 1.00 0.00 H new ATOM 0 HG LEU A 134 20.011 17.485 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 134 17.911 18.771 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 134 17.613 17.017 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 134 17.345 17.945 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 134 19.869 19.689 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 134 19.380 18.899 4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 134 21.000 18.605 3.854 1.00 0.00 H new ATOM 1253 N GLU A 135 17.382 14.317 4.654 1.00 0.00 N ATOM 1254 CA GLU A 135 16.143 13.572 4.464 1.00 0.00 C ATOM 1255 C GLU A 135 15.849 12.689 5.673 1.00 0.00 C ATOM 1256 O GLU A 135 14.690 12.441 6.005 1.00 0.00 O ATOM 1257 CB GLU A 135 16.227 12.713 3.200 1.00 0.00 C ATOM 1258 CG GLU A 135 17.521 11.924 3.085 1.00 0.00 C ATOM 1259 CD GLU A 135 18.617 12.702 2.383 1.00 0.00 C ATOM 1260 OE1 GLU A 135 18.433 13.051 1.199 1.00 0.00 O ATOM 1261 OE2 GLU A 135 19.660 12.961 3.020 1.00 0.00 O ATOM 0 H GLU A 135 18.221 13.738 4.692 1.00 0.00 H new ATOM 0 HA GLU A 135 15.330 14.290 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 135 15.386 12.020 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.125 13.356 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 135 17.861 11.643 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.331 10.999 2.541 1.00 0.00 H new TER 1268 GLU A 135