USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 638 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 66 GLN : amide:sc= -2.31! C(o=-1.1!,f=-11!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -0.335 F(o=-4.1!,f=-0.33) USER MOD Set 2.2: A 65 ASN : amide:sc= 0 X(o=-0.33,f=-0.57) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.432 F(o=-4.7!,f=-0.43) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -90:sc= -3.07! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 140:sc= -0.0596 (180deg=-0.502) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 1.3 (180deg=1.24) USER MOD Single : A 26 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 38 MET CE :methyl -156:sc= -0.499 (180deg=-1.89!) USER MOD Single : A 40 ASN : amide:sc= 0.875 K(o=0.88,f=-0.16) USER MOD Single : A 42 SER OG : rot 77:sc= 1.27 USER MOD Single : A 45 SER OG : rot -27:sc= 0.0286 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.26 K(o=-1.3,f=-4!) USER MOD Single : A 74 MET CE :methyl 163:sc= -0.0592 (180deg=-0.428) USER MOD Single : A 78 THR OG1 : rot 83:sc= 1.43 USER MOD Single : A 83 THR OG1 : rot 38:sc= 0.327 USER MOD Single : A 84 MET CE :methyl 160:sc= -0.0358 (180deg=-0.308) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= -1.26! (180deg=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 9.406 -21.377 -3.111 1.00 0.00 N ATOM 2 CA ASN A 7 10.847 -21.164 -3.245 1.00 0.00 C ATOM 3 C ASN A 7 11.233 -19.809 -2.683 1.00 0.00 C ATOM 4 O ASN A 7 12.404 -19.434 -2.667 1.00 0.00 O ATOM 5 CB ASN A 7 11.265 -21.257 -4.724 1.00 0.00 C ATOM 6 CG ASN A 7 10.408 -20.389 -5.662 1.00 0.00 C ATOM 7 OD1 ASN A 7 9.957 -19.230 -5.191 1.00 0.00 O flip ATOM 8 ND2 ASN A 7 10.177 -20.760 -6.811 1.00 0.00 N flip ATOM 0 HA ASN A 7 11.366 -21.940 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.309 -20.957 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.202 -22.296 -5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.538 -21.655 -7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.624 -20.173 -7.435 1.00 0.00 H new ATOM 15 N GLY A 8 10.233 -19.085 -2.239 1.00 0.00 N ATOM 16 CA GLY A 8 10.427 -17.748 -1.758 1.00 0.00 C ATOM 17 C GLY A 8 9.218 -16.906 -2.060 1.00 0.00 C ATOM 18 O GLY A 8 8.452 -17.224 -2.971 1.00 0.00 O ATOM 0 H GLY A 8 9.267 -19.410 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.609 -17.763 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.310 -17.310 -2.225 1.00 0.00 H new ATOM 22 N LEU A 9 9.035 -15.856 -1.313 1.00 0.00 N ATOM 23 CA LEU A 9 7.888 -14.998 -1.475 1.00 0.00 C ATOM 24 C LEU A 9 8.079 -14.033 -2.639 1.00 0.00 C ATOM 25 O LEU A 9 9.149 -13.435 -2.792 1.00 0.00 O ATOM 26 CB LEU A 9 7.602 -14.233 -0.173 1.00 0.00 C ATOM 27 CG LEU A 9 6.961 -15.048 0.966 1.00 0.00 C ATOM 28 CD1 LEU A 9 7.861 -16.193 1.402 1.00 0.00 C ATOM 29 CD2 LEU A 9 6.639 -14.145 2.148 1.00 0.00 C ATOM 0 H LEU A 9 9.675 -15.567 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 9 7.027 -15.626 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.540 -13.813 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.946 -13.394 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 9 6.033 -15.478 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.379 -16.748 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.038 -16.859 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.812 -15.794 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.187 -14.736 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.556 -13.684 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.943 -13.368 1.833 1.00 0.00 H new ATOM 41 N PRO A 10 7.038 -13.886 -3.488 1.00 0.00 N ATOM 42 CA PRO A 10 7.063 -12.978 -4.645 1.00 0.00 C ATOM 43 C PRO A 10 7.370 -11.534 -4.243 1.00 0.00 C ATOM 44 O PRO A 10 7.251 -11.167 -3.067 1.00 0.00 O ATOM 45 CB PRO A 10 5.639 -13.070 -5.210 1.00 0.00 C ATOM 46 CG PRO A 10 5.116 -14.377 -4.725 1.00 0.00 C ATOM 47 CD PRO A 10 5.754 -14.608 -3.389 1.00 0.00 C ATOM 0 HA PRO A 10 7.840 -13.256 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.021 -12.243 -4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.643 -13.026 -6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.030 -14.355 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.365 -15.179 -5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.138 -14.220 -2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.905 -15.670 -3.195 1.00 0.00 H new ATOM 55 N SER A 11 7.764 -10.726 -5.223 1.00 0.00 N ATOM 56 CA SER A 11 8.101 -9.321 -4.999 1.00 0.00 C ATOM 57 C SER A 11 6.998 -8.580 -4.222 1.00 0.00 C ATOM 58 O SER A 11 7.284 -7.673 -3.471 1.00 0.00 O ATOM 59 CB SER A 11 8.361 -8.627 -6.334 1.00 0.00 C ATOM 60 OG SER A 11 9.347 -9.323 -7.079 1.00 0.00 O ATOM 0 H SER A 11 7.859 -11.025 -6.194 1.00 0.00 H new ATOM 0 HA SER A 11 9.005 -9.292 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.436 -8.573 -6.908 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.687 -7.602 -6.159 1.00 0.00 H new ATOM 0 HG SER A 11 9.498 -8.864 -7.931 1.00 0.00 H new ATOM 66 N GLU A 12 5.750 -9.001 -4.403 1.00 0.00 N ATOM 67 CA GLU A 12 4.606 -8.384 -3.717 1.00 0.00 C ATOM 68 C GLU A 12 4.792 -8.419 -2.192 1.00 0.00 C ATOM 69 O GLU A 12 4.532 -7.443 -1.494 1.00 0.00 O ATOM 70 CB GLU A 12 3.324 -9.133 -4.080 1.00 0.00 C ATOM 71 CG GLU A 12 3.126 -9.329 -5.572 1.00 0.00 C ATOM 72 CD GLU A 12 1.917 -10.177 -5.881 1.00 0.00 C ATOM 73 OE1 GLU A 12 1.986 -11.411 -5.701 1.00 0.00 O ATOM 74 OE2 GLU A 12 0.890 -9.623 -6.307 1.00 0.00 O ATOM 0 H GLU A 12 5.498 -9.772 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 12 4.538 -7.345 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.335 -10.109 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.470 -8.587 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.018 -8.357 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.014 -9.798 -5.996 1.00 0.00 H new ATOM 81 N THR A 13 5.247 -9.555 -1.704 1.00 0.00 N ATOM 82 CA THR A 13 5.450 -9.773 -0.284 1.00 0.00 C ATOM 83 C THR A 13 6.866 -9.398 0.160 1.00 0.00 C ATOM 84 O THR A 13 7.137 -9.260 1.347 1.00 0.00 O ATOM 85 CB THR A 13 5.213 -11.254 0.051 1.00 0.00 C ATOM 86 OG1 THR A 13 5.669 -12.065 -1.038 1.00 0.00 O ATOM 87 CG2 THR A 13 3.747 -11.539 0.302 1.00 0.00 C ATOM 0 H THR A 13 5.488 -10.359 -2.284 1.00 0.00 H new ATOM 0 HA THR A 13 4.742 -9.135 0.244 1.00 0.00 H new ATOM 0 HB THR A 13 5.767 -11.488 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.935 -12.205 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.617 -12.596 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.397 -10.936 1.140 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.170 -11.291 -0.589 1.00 0.00 H new ATOM 95 N TYR A 14 7.752 -9.229 -0.797 1.00 0.00 N ATOM 96 CA TYR A 14 9.152 -8.987 -0.508 1.00 0.00 C ATOM 97 C TYR A 14 9.534 -7.504 -0.690 1.00 0.00 C ATOM 98 O TYR A 14 10.615 -7.075 -0.283 1.00 0.00 O ATOM 99 CB TYR A 14 9.994 -9.885 -1.424 1.00 0.00 C ATOM 100 CG TYR A 14 11.474 -9.779 -1.216 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.088 -10.403 -0.145 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.258 -9.057 -2.095 1.00 0.00 C ATOM 103 CE1 TYR A 14 13.445 -10.305 0.046 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.614 -8.953 -1.918 1.00 0.00 C ATOM 105 CZ TYR A 14 14.207 -9.579 -0.843 1.00 0.00 C ATOM 106 OH TYR A 14 15.563 -9.477 -0.656 1.00 0.00 O ATOM 0 H TYR A 14 7.526 -9.255 -1.791 1.00 0.00 H new ATOM 0 HA TYR A 14 9.345 -9.227 0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.693 -10.921 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.768 -9.637 -2.461 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.492 -10.975 0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.794 -8.565 -2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.912 -10.794 0.888 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.212 -8.385 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 14 15.952 -8.932 -1.371 1.00 0.00 H new ATOM 116 N ILE A 15 8.643 -6.733 -1.275 1.00 0.00 N ATOM 117 CA ILE A 15 8.912 -5.347 -1.559 1.00 0.00 C ATOM 118 C ILE A 15 8.565 -4.495 -0.345 1.00 0.00 C ATOM 119 O ILE A 15 7.512 -4.669 0.287 1.00 0.00 O ATOM 120 CB ILE A 15 8.148 -4.877 -2.853 1.00 0.00 C ATOM 121 CG1 ILE A 15 8.763 -3.590 -3.461 1.00 0.00 C ATOM 122 CG2 ILE A 15 6.657 -4.699 -2.596 1.00 0.00 C ATOM 123 CD1 ILE A 15 8.356 -2.299 -2.780 1.00 0.00 C ATOM 0 H ILE A 15 7.718 -7.050 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 15 9.976 -5.223 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 15 8.267 -5.673 -3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.849 -3.674 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.481 -3.533 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.166 -4.374 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.228 -5.647 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.509 -3.948 -1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.838 -1.457 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.274 -2.183 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.663 -2.326 -1.735 1.00 0.00 H new ATOM 135 N THR A 16 9.461 -3.615 0.004 1.00 0.00 N ATOM 136 CA THR A 16 9.277 -2.777 1.153 1.00 0.00 C ATOM 137 C THR A 16 8.634 -1.442 0.756 1.00 0.00 C ATOM 138 O THR A 16 9.089 -0.777 -0.170 1.00 0.00 O ATOM 139 CB THR A 16 10.618 -2.541 1.857 1.00 0.00 C ATOM 140 OG1 THR A 16 11.260 -3.805 2.094 1.00 0.00 O ATOM 141 CG2 THR A 16 10.396 -1.859 3.172 1.00 0.00 C ATOM 0 H THR A 16 10.335 -3.459 -0.498 1.00 0.00 H new ATOM 0 HA THR A 16 8.604 -3.284 1.845 1.00 0.00 H new ATOM 0 HB THR A 16 11.244 -1.913 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.119 -3.657 2.543 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.355 -1.696 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.906 -0.900 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.766 -2.484 3.804 1.00 0.00 H new ATOM 149 N CYS A 17 7.582 -1.058 1.480 1.00 0.00 N ATOM 150 CA CYS A 17 6.811 0.155 1.177 1.00 0.00 C ATOM 151 C CYS A 17 7.675 1.414 1.115 1.00 0.00 C ATOM 152 O CYS A 17 7.545 2.207 0.191 1.00 0.00 O ATOM 153 CB CYS A 17 5.694 0.329 2.191 1.00 0.00 C ATOM 154 SG CYS A 17 6.205 0.048 3.909 1.00 0.00 S ATOM 0 H CYS A 17 7.239 -1.574 2.290 1.00 0.00 H new ATOM 0 HA CYS A 17 6.387 0.021 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.292 1.338 2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.885 -0.359 1.946 1.00 0.00 H new ATOM 159 N ALA A 18 8.547 1.595 2.097 1.00 0.00 N ATOM 160 CA ALA A 18 9.454 2.746 2.114 1.00 0.00 C ATOM 161 C ALA A 18 10.306 2.793 0.846 1.00 0.00 C ATOM 162 O ALA A 18 10.615 3.865 0.326 1.00 0.00 O ATOM 163 CB ALA A 18 10.350 2.694 3.345 1.00 0.00 C ATOM 0 H ALA A 18 8.650 0.965 2.892 1.00 0.00 H new ATOM 0 HA ALA A 18 8.849 3.652 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.019 3.555 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.734 2.713 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.939 1.777 3.328 1.00 0.00 H new ATOM 169 N GLU A 19 10.677 1.621 0.349 1.00 0.00 N ATOM 170 CA GLU A 19 11.500 1.515 -0.842 1.00 0.00 C ATOM 171 C GLU A 19 10.691 1.750 -2.128 1.00 0.00 C ATOM 172 O GLU A 19 11.264 2.001 -3.184 1.00 0.00 O ATOM 173 CB GLU A 19 12.220 0.170 -0.884 1.00 0.00 C ATOM 174 CG GLU A 19 13.363 0.128 -1.880 1.00 0.00 C ATOM 175 CD GLU A 19 14.167 -1.139 -1.779 1.00 0.00 C ATOM 176 OE1 GLU A 19 15.069 -1.206 -0.918 1.00 0.00 O ATOM 177 OE2 GLU A 19 13.908 -2.075 -2.557 1.00 0.00 O ATOM 0 H GLU A 19 10.417 0.724 0.759 1.00 0.00 H new ATOM 0 HA GLU A 19 12.249 2.305 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.606 -0.058 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.501 -0.610 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.964 0.222 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.017 0.984 -1.714 1.00 0.00 H new ATOM 184 N ALA A 20 9.356 1.654 -2.043 1.00 0.00 N ATOM 185 CA ALA A 20 8.496 1.889 -3.199 1.00 0.00 C ATOM 186 C ALA A 20 8.709 3.298 -3.757 1.00 0.00 C ATOM 187 O ALA A 20 8.392 3.570 -4.897 1.00 0.00 O ATOM 188 CB ALA A 20 7.034 1.674 -2.836 1.00 0.00 C ATOM 0 H ALA A 20 8.855 1.416 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 20 8.766 1.170 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.411 1.855 -3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.891 0.649 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.751 2.364 -2.041 1.00 0.00 H new ATOM 194 N ASN A 21 9.278 4.171 -2.938 1.00 0.00 N ATOM 195 CA ASN A 21 9.565 5.544 -3.357 1.00 0.00 C ATOM 196 C ASN A 21 10.766 5.544 -4.288 1.00 0.00 C ATOM 197 O ASN A 21 10.842 6.333 -5.234 1.00 0.00 O ATOM 198 CB ASN A 21 9.861 6.430 -2.144 1.00 0.00 C ATOM 199 CG ASN A 21 8.707 6.515 -1.169 1.00 0.00 C ATOM 200 OD1 ASN A 21 9.030 6.596 0.101 1.00 0.00 O flip ATOM 201 ND2 ASN A 21 7.535 6.498 -1.555 1.00 0.00 N flip ATOM 0 H ASN A 21 9.552 3.957 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 21 8.692 5.942 -3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.738 6.043 -1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.111 7.433 -2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.327 6.434 -2.552 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.774 6.548 -0.877 1.00 0.00 H new ATOM 208 N GLU A 22 11.702 4.643 -4.000 1.00 0.00 N ATOM 209 CA GLU A 22 12.920 4.485 -4.786 1.00 0.00 C ATOM 210 C GLU A 22 12.579 4.098 -6.221 1.00 0.00 C ATOM 211 O GLU A 22 12.959 4.788 -7.165 1.00 0.00 O ATOM 212 CB GLU A 22 13.816 3.411 -4.152 1.00 0.00 C ATOM 213 CG GLU A 22 15.193 3.294 -4.780 1.00 0.00 C ATOM 214 CD GLU A 22 16.051 4.507 -4.515 1.00 0.00 C ATOM 215 OE1 GLU A 22 16.644 4.590 -3.414 1.00 0.00 O ATOM 216 OE2 GLU A 22 16.139 5.389 -5.395 1.00 0.00 O ATOM 0 H GLU A 22 11.635 4.000 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 22 13.455 5.435 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.931 3.631 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.314 2.446 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.693 2.407 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.088 3.155 -5.856 1.00 0.00 H new ATOM 223 N MET A 23 11.868 2.994 -6.380 1.00 0.00 N ATOM 224 CA MET A 23 11.467 2.532 -7.703 1.00 0.00 C ATOM 225 C MET A 23 10.446 3.472 -8.350 1.00 0.00 C ATOM 226 O MET A 23 10.448 3.645 -9.556 1.00 0.00 O ATOM 227 CB MET A 23 10.978 1.061 -7.670 1.00 0.00 C ATOM 228 CG MET A 23 10.036 0.714 -6.518 1.00 0.00 C ATOM 229 SD MET A 23 8.337 1.215 -6.809 1.00 0.00 S ATOM 230 CE MET A 23 7.856 0.056 -8.078 1.00 0.00 C ATOM 0 H MET A 23 11.556 2.400 -5.612 1.00 0.00 H new ATOM 0 HA MET A 23 12.353 2.554 -8.338 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.472 0.842 -8.610 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.848 0.407 -7.616 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.065 -0.362 -6.346 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.397 1.192 -5.607 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.836 -0.281 -7.895 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.908 0.541 -9.053 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.530 -0.801 -8.063 1.00 0.00 H new ATOM 240 N ALA A 24 9.577 4.072 -7.529 1.00 0.00 N ATOM 241 CA ALA A 24 8.595 5.080 -8.003 1.00 0.00 C ATOM 242 C ALA A 24 9.250 6.165 -8.868 1.00 0.00 C ATOM 243 O ALA A 24 8.594 6.777 -9.708 1.00 0.00 O ATOM 244 CB ALA A 24 7.871 5.727 -6.834 1.00 0.00 C ATOM 0 H ALA A 24 9.526 3.883 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 24 7.874 4.545 -8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.158 6.461 -7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.340 4.962 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.595 6.222 -6.187 1.00 0.00 H new ATOM 250 N LYS A 25 10.538 6.410 -8.642 1.00 0.00 N ATOM 251 CA LYS A 25 11.293 7.395 -9.421 1.00 0.00 C ATOM 252 C LYS A 25 11.322 7.017 -10.909 1.00 0.00 C ATOM 253 O LYS A 25 11.489 7.880 -11.778 1.00 0.00 O ATOM 254 CB LYS A 25 12.719 7.511 -8.880 1.00 0.00 C ATOM 255 CG LYS A 25 12.787 7.963 -7.431 1.00 0.00 C ATOM 256 CD LYS A 25 14.201 7.885 -6.882 1.00 0.00 C ATOM 257 CE LYS A 25 14.234 8.221 -5.402 1.00 0.00 C ATOM 258 NZ LYS A 25 15.579 8.010 -4.813 1.00 0.00 N ATOM 0 H LYS A 25 11.086 5.938 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 25 10.794 8.359 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.213 6.544 -8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.276 8.215 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.422 8.987 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.127 7.342 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.600 6.883 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.845 8.574 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.935 9.259 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.506 7.604 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.565 8.283 -3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.840 7.007 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.276 8.592 -5.321 1.00 0.00 H new ATOM 272 N THR A 26 11.154 5.734 -11.190 1.00 0.00 N ATOM 273 CA THR A 26 11.139 5.245 -12.555 1.00 0.00 C ATOM 274 C THR A 26 9.802 4.578 -12.875 1.00 0.00 C ATOM 275 O THR A 26 9.310 4.660 -14.000 1.00 0.00 O ATOM 276 CB THR A 26 12.284 4.235 -12.815 1.00 0.00 C ATOM 277 OG1 THR A 26 12.190 3.132 -11.896 1.00 0.00 O ATOM 278 CG2 THR A 26 13.643 4.904 -12.667 1.00 0.00 C ATOM 0 H THR A 26 11.025 5.010 -10.483 1.00 0.00 H new ATOM 0 HA THR A 26 11.283 6.109 -13.204 1.00 0.00 H new ATOM 0 HB THR A 26 12.184 3.868 -13.836 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.472 2.529 -12.181 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.430 4.174 -12.854 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.727 5.720 -13.384 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.747 5.298 -11.656 1.00 0.00 H new ATOM 286 N ASP A 27 9.212 3.933 -11.871 1.00 0.00 N ATOM 287 CA ASP A 27 7.967 3.201 -12.049 1.00 0.00 C ATOM 288 C ASP A 27 6.970 3.531 -10.940 1.00 0.00 C ATOM 289 O ASP A 27 6.740 2.728 -10.037 1.00 0.00 O ATOM 290 CB ASP A 27 8.237 1.691 -12.069 1.00 0.00 C ATOM 291 CG ASP A 27 9.214 1.287 -13.148 1.00 0.00 C ATOM 292 OD1 ASP A 27 8.773 1.000 -14.279 1.00 0.00 O ATOM 293 OD2 ASP A 27 10.436 1.260 -12.876 1.00 0.00 O ATOM 0 H ASP A 27 9.582 3.905 -10.921 1.00 0.00 H new ATOM 0 HA ASP A 27 7.535 3.504 -13.003 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.626 1.383 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.297 1.160 -12.219 1.00 0.00 H new ATOM 298 N SER A 28 6.400 4.716 -11.004 1.00 0.00 N ATOM 299 CA SER A 28 5.427 5.158 -10.011 1.00 0.00 C ATOM 300 C SER A 28 4.051 4.521 -10.248 1.00 0.00 C ATOM 301 O SER A 28 3.250 4.381 -9.321 1.00 0.00 O ATOM 302 CB SER A 28 5.319 6.680 -10.025 1.00 0.00 C ATOM 303 OG SER A 28 5.015 7.162 -11.328 1.00 0.00 O ATOM 0 H SER A 28 6.592 5.399 -11.737 1.00 0.00 H new ATOM 0 HA SER A 28 5.776 4.834 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.545 6.999 -9.327 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.257 7.117 -9.682 1.00 0.00 H new ATOM 0 HG SER A 28 4.950 8.140 -11.308 1.00 0.00 H new ATOM 309 N ALA A 29 3.802 4.116 -11.488 1.00 0.00 N ATOM 310 CA ALA A 29 2.520 3.522 -11.862 1.00 0.00 C ATOM 311 C ALA A 29 2.282 2.227 -11.108 1.00 0.00 C ATOM 312 O ALA A 29 1.200 2.000 -10.570 1.00 0.00 O ATOM 313 CB ALA A 29 2.460 3.278 -13.361 1.00 0.00 C ATOM 0 H ALA A 29 4.471 4.188 -12.254 1.00 0.00 H new ATOM 0 HA ALA A 29 1.732 4.225 -11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.498 2.835 -13.619 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.578 4.224 -13.889 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.261 2.599 -13.651 1.00 0.00 H new ATOM 319 N GLN A 30 3.318 1.402 -11.036 1.00 0.00 N ATOM 320 CA GLN A 30 3.231 0.109 -10.372 1.00 0.00 C ATOM 321 C GLN A 30 2.916 0.268 -8.888 1.00 0.00 C ATOM 322 O GLN A 30 2.268 -0.585 -8.289 1.00 0.00 O ATOM 323 CB GLN A 30 4.534 -0.670 -10.549 1.00 0.00 C ATOM 324 CG GLN A 30 4.905 -0.927 -12.001 1.00 0.00 C ATOM 325 CD GLN A 30 6.178 -1.733 -12.143 1.00 0.00 C ATOM 326 OE1 GLN A 30 7.071 -1.663 -11.299 1.00 0.00 O ATOM 327 NE2 GLN A 30 6.271 -2.504 -13.204 1.00 0.00 N ATOM 0 H GLN A 30 4.235 1.608 -11.433 1.00 0.00 H new ATOM 0 HA GLN A 30 2.416 -0.448 -10.835 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.343 -0.119 -10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.448 -1.625 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.088 -1.455 -12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.024 0.026 -12.516 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.509 -2.534 -13.881 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.106 -3.072 -13.350 1.00 0.00 H new ATOM 336 N VAL A 31 3.344 1.382 -8.312 1.00 0.00 N ATOM 337 CA VAL A 31 3.127 1.641 -6.899 1.00 0.00 C ATOM 338 C VAL A 31 1.651 1.865 -6.636 1.00 0.00 C ATOM 339 O VAL A 31 1.082 1.305 -5.703 1.00 0.00 O ATOM 340 CB VAL A 31 3.911 2.886 -6.424 1.00 0.00 C ATOM 341 CG1 VAL A 31 3.788 3.062 -4.917 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.365 2.795 -6.837 1.00 0.00 C ATOM 0 H VAL A 31 3.845 2.122 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 31 3.483 0.771 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 31 3.476 3.763 -6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.348 3.944 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.739 3.186 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.189 2.182 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.897 3.682 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.814 1.907 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.431 2.731 -7.923 1.00 0.00 H new ATOM 352 N ALA A 32 1.031 2.650 -7.500 1.00 0.00 N ATOM 353 CA ALA A 32 -0.369 2.991 -7.354 1.00 0.00 C ATOM 354 C ALA A 32 -1.253 1.787 -7.636 1.00 0.00 C ATOM 355 O ALA A 32 -2.310 1.629 -7.035 1.00 0.00 O ATOM 356 CB ALA A 32 -0.728 4.144 -8.280 1.00 0.00 C ATOM 0 H ALA A 32 1.482 3.065 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.541 3.302 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.783 4.391 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.121 5.014 -8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.538 3.854 -9.313 1.00 0.00 H new ATOM 362 N GLU A 33 -0.806 0.933 -8.540 1.00 0.00 N ATOM 363 CA GLU A 33 -1.563 -0.246 -8.911 1.00 0.00 C ATOM 364 C GLU A 33 -1.536 -1.313 -7.821 1.00 0.00 C ATOM 365 O GLU A 33 -2.564 -1.883 -7.492 1.00 0.00 O ATOM 366 CB GLU A 33 -1.051 -0.824 -10.222 1.00 0.00 C ATOM 367 CG GLU A 33 -1.153 0.136 -11.386 1.00 0.00 C ATOM 368 CD GLU A 33 -0.700 -0.482 -12.678 1.00 0.00 C ATOM 369 OE1 GLU A 33 0.519 -0.603 -12.885 1.00 0.00 O ATOM 370 OE2 GLU A 33 -1.568 -0.857 -13.494 1.00 0.00 O ATOM 0 H GLU A 33 0.082 1.036 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.599 0.068 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.010 -1.121 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.614 -1.727 -10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.185 0.470 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.551 1.020 -11.178 1.00 0.00 H new ATOM 377 N ILE A 34 -0.374 -1.545 -7.227 1.00 0.00 N ATOM 378 CA ILE A 34 -0.241 -2.603 -6.224 1.00 0.00 C ATOM 379 C ILE A 34 -1.033 -2.248 -4.973 1.00 0.00 C ATOM 380 O ILE A 34 -1.760 -3.082 -4.417 1.00 0.00 O ATOM 381 CB ILE A 34 1.245 -2.864 -5.853 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.014 -3.390 -7.071 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.349 -3.849 -4.690 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.497 -3.586 -6.824 1.00 0.00 C ATOM 0 H ILE A 34 0.483 -1.025 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.642 -3.518 -6.660 1.00 0.00 H new ATOM 0 HB ILE A 34 1.691 -1.920 -5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.579 -4.340 -7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.883 -2.694 -7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.398 -4.017 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.837 -3.440 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.886 -4.795 -4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.971 -3.960 -7.732 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.948 -2.634 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.640 -4.306 -6.018 1.00 0.00 H new ATOM 396 N VAL A 35 -0.903 -1.001 -4.558 1.00 0.00 N ATOM 397 CA VAL A 35 -1.611 -0.517 -3.384 1.00 0.00 C ATOM 398 C VAL A 35 -3.130 -0.495 -3.617 1.00 0.00 C ATOM 399 O VAL A 35 -3.913 -0.642 -2.684 1.00 0.00 O ATOM 400 CB VAL A 35 -1.125 0.888 -2.941 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.369 0.881 -2.659 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.478 1.951 -3.973 1.00 0.00 C ATOM 0 H VAL A 35 -0.315 -0.305 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.386 -1.218 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.645 1.140 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.686 1.877 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.586 0.168 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.908 0.592 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.123 2.923 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.005 1.706 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.560 1.986 -4.104 1.00 0.00 H new ATOM 412 N ALA A 36 -3.532 -0.329 -4.870 1.00 0.00 N ATOM 413 CA ALA A 36 -4.941 -0.272 -5.218 1.00 0.00 C ATOM 414 C ALA A 36 -5.546 -1.662 -5.402 1.00 0.00 C ATOM 415 O ALA A 36 -6.547 -1.987 -4.771 1.00 0.00 O ATOM 416 CB ALA A 36 -5.153 0.565 -6.470 1.00 0.00 C ATOM 0 H ALA A 36 -2.898 -0.231 -5.663 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.457 0.202 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.215 0.594 -6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.793 1.579 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.603 0.123 -7.301 1.00 0.00 H new ATOM 422 N VAL A 37 -4.926 -2.477 -6.261 1.00 0.00 N ATOM 423 CA VAL A 37 -5.455 -3.808 -6.602 1.00 0.00 C ATOM 424 C VAL A 37 -5.794 -4.651 -5.373 1.00 0.00 C ATOM 425 O VAL A 37 -6.963 -4.939 -5.121 1.00 0.00 O ATOM 426 CB VAL A 37 -4.492 -4.601 -7.526 1.00 0.00 C ATOM 427 CG1 VAL A 37 -5.016 -6.010 -7.773 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.310 -3.876 -8.848 1.00 0.00 C ATOM 0 H VAL A 37 -4.055 -2.240 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.382 -3.614 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.526 -4.673 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.325 -6.547 -8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.104 -6.537 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.995 -5.956 -8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.632 -4.445 -9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.275 -3.776 -9.344 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.892 -2.886 -8.666 1.00 0.00 H new ATOM 438 N MET A 38 -4.797 -5.050 -4.597 1.00 0.00 N ATOM 439 CA MET A 38 -5.068 -5.867 -3.435 1.00 0.00 C ATOM 440 C MET A 38 -5.557 -5.029 -2.270 1.00 0.00 C ATOM 441 O MET A 38 -6.268 -5.524 -1.411 1.00 0.00 O ATOM 442 CB MET A 38 -3.835 -6.691 -3.038 1.00 0.00 C ATOM 443 CG MET A 38 -2.638 -5.868 -2.588 1.00 0.00 C ATOM 444 SD MET A 38 -1.184 -6.888 -2.277 1.00 0.00 S ATOM 445 CE MET A 38 -0.040 -5.666 -1.646 1.00 0.00 C ATOM 0 H MET A 38 -3.814 -4.825 -4.750 1.00 0.00 H new ATOM 0 HA MET A 38 -5.865 -6.561 -3.702 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.114 -7.372 -2.234 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.537 -7.306 -3.887 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.402 -5.126 -3.351 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.896 -5.321 -1.681 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.983 -6.008 -1.805 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.192 -4.721 -2.168 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.212 -5.523 -0.579 1.00 0.00 H new ATOM 455 N GLY A 39 -5.194 -3.756 -2.260 1.00 0.00 N ATOM 456 CA GLY A 39 -5.608 -2.880 -1.183 1.00 0.00 C ATOM 457 C GLY A 39 -7.109 -2.699 -1.133 1.00 0.00 C ATOM 458 O GLY A 39 -7.743 -2.992 -0.118 1.00 0.00 O ATOM 0 H GLY A 39 -4.620 -3.313 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.262 -3.288 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.131 -1.908 -1.305 1.00 0.00 H new ATOM 462 N ASN A 40 -7.673 -2.226 -2.239 1.00 0.00 N ATOM 463 CA ASN A 40 -9.114 -1.987 -2.344 1.00 0.00 C ATOM 464 C ASN A 40 -9.914 -3.265 -2.071 1.00 0.00 C ATOM 465 O ASN A 40 -10.966 -3.222 -1.441 1.00 0.00 O ATOM 466 CB ASN A 40 -9.471 -1.392 -3.729 1.00 0.00 C ATOM 467 CG ASN A 40 -9.977 -2.421 -4.738 1.00 0.00 C ATOM 468 OD1 ASN A 40 -11.179 -2.668 -4.843 1.00 0.00 O ATOM 469 ND2 ASN A 40 -9.070 -3.013 -5.479 1.00 0.00 N ATOM 0 H ASN A 40 -7.151 -1.998 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.388 -1.260 -1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.233 -0.623 -3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.589 -0.900 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.351 -3.706 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.084 -2.780 -5.361 1.00 0.00 H new ATOM 476 N ALA A 41 -9.391 -4.400 -2.521 1.00 0.00 N ATOM 477 CA ALA A 41 -10.054 -5.676 -2.310 1.00 0.00 C ATOM 478 C ALA A 41 -10.011 -6.066 -0.838 1.00 0.00 C ATOM 479 O ALA A 41 -11.030 -6.417 -0.249 1.00 0.00 O ATOM 480 CB ALA A 41 -9.411 -6.757 -3.167 1.00 0.00 C ATOM 0 H ALA A 41 -8.511 -4.460 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.098 -5.574 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.919 -7.706 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.494 -6.484 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.359 -6.856 -2.899 1.00 0.00 H new ATOM 486 N SER A 42 -8.822 -5.990 -0.259 1.00 0.00 N ATOM 487 CA SER A 42 -8.617 -6.326 1.145 1.00 0.00 C ATOM 488 C SER A 42 -9.488 -5.464 2.070 1.00 0.00 C ATOM 489 O SER A 42 -10.205 -5.990 2.921 1.00 0.00 O ATOM 490 CB SER A 42 -7.140 -6.198 1.526 1.00 0.00 C ATOM 491 OG SER A 42 -6.333 -7.041 0.716 1.00 0.00 O ATOM 0 H SER A 42 -7.975 -5.695 -0.745 1.00 0.00 H new ATOM 0 HA SER A 42 -8.922 -7.364 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.819 -5.162 1.413 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.007 -6.460 2.576 1.00 0.00 H new ATOM 0 HG SER A 42 -6.223 -6.636 -0.169 1.00 0.00 H new ATOM 497 N VAL A 43 -9.445 -4.143 1.890 1.00 0.00 N ATOM 498 CA VAL A 43 -10.219 -3.241 2.743 1.00 0.00 C ATOM 499 C VAL A 43 -11.726 -3.465 2.570 1.00 0.00 C ATOM 500 O VAL A 43 -12.499 -3.367 3.531 1.00 0.00 O ATOM 501 CB VAL A 43 -9.845 -1.750 2.503 1.00 0.00 C ATOM 502 CG1 VAL A 43 -10.299 -1.264 1.135 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.400 -0.872 3.609 1.00 0.00 C ATOM 0 H VAL A 43 -8.890 -3.679 1.171 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.960 -3.479 3.775 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.758 -1.678 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.018 -0.218 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.823 -1.864 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.382 -1.361 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.127 0.166 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.486 -0.962 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.987 -1.188 4.567 1.00 0.00 H new ATOM 513 N ALA A 44 -12.135 -3.806 1.361 1.00 0.00 N ATOM 514 CA ALA A 44 -13.528 -4.084 1.081 1.00 0.00 C ATOM 515 C ALA A 44 -13.896 -5.491 1.540 1.00 0.00 C ATOM 516 O ALA A 44 -15.060 -5.850 1.583 1.00 0.00 O ATOM 517 CB ALA A 44 -13.817 -3.914 -0.406 1.00 0.00 C ATOM 0 H ALA A 44 -11.517 -3.897 0.555 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.139 -3.372 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.868 -4.127 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.593 -2.890 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.196 -4.603 -0.978 1.00 0.00 H new ATOM 523 N SER A 45 -12.893 -6.271 1.892 1.00 0.00 N ATOM 524 CA SER A 45 -13.116 -7.644 2.294 1.00 0.00 C ATOM 525 C SER A 45 -13.408 -7.729 3.775 1.00 0.00 C ATOM 526 O SER A 45 -13.969 -8.715 4.249 1.00 0.00 O ATOM 527 CB SER A 45 -11.912 -8.530 1.945 1.00 0.00 C ATOM 528 OG SER A 45 -12.177 -9.893 2.251 1.00 0.00 O ATOM 0 H SER A 45 -11.916 -5.977 1.908 1.00 0.00 H new ATOM 0 HA SER A 45 -13.982 -8.010 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.678 -8.430 0.885 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.035 -8.193 2.498 1.00 0.00 H new ATOM 0 HG SER A 45 -12.828 -9.944 2.982 1.00 0.00 H new ATOM 534 N ARG A 46 -13.033 -6.701 4.515 1.00 0.00 N ATOM 535 CA ARG A 46 -13.223 -6.741 5.941 1.00 0.00 C ATOM 536 C ARG A 46 -14.452 -5.966 6.364 1.00 0.00 C ATOM 537 O ARG A 46 -15.025 -6.232 7.418 1.00 0.00 O ATOM 538 CB ARG A 46 -11.980 -6.201 6.669 1.00 0.00 C ATOM 539 CG ARG A 46 -12.051 -6.292 8.199 1.00 0.00 C ATOM 540 CD ARG A 46 -11.968 -7.736 8.692 1.00 0.00 C ATOM 541 NE ARG A 46 -13.059 -8.570 8.177 1.00 0.00 N ATOM 542 CZ ARG A 46 -12.911 -9.833 7.767 1.00 0.00 C ATOM 543 NH1 ARG A 46 -11.746 -10.452 7.916 1.00 0.00 N ATOM 544 NH2 ARG A 46 -13.931 -10.479 7.222 1.00 0.00 N ATOM 0 H ARG A 46 -12.604 -5.848 4.156 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.373 -7.784 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.105 -6.752 6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.832 -5.159 6.386 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.237 -5.713 8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.982 -5.844 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.013 -8.165 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.991 -7.746 9.782 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.991 -8.159 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.960 -9.963 8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.637 -11.416 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.832 -10.012 7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.816 -11.443 6.910 1.00 0.00 H new ATOM 558 N ASP A 47 -14.872 -5.028 5.550 1.00 0.00 N ATOM 559 CA ASP A 47 -16.017 -4.224 5.900 1.00 0.00 C ATOM 560 C ASP A 47 -17.033 -4.194 4.778 1.00 0.00 C ATOM 561 O ASP A 47 -18.237 -4.284 5.016 1.00 0.00 O ATOM 562 CB ASP A 47 -15.555 -2.825 6.228 1.00 0.00 C ATOM 563 CG ASP A 47 -16.505 -2.115 7.145 1.00 0.00 C ATOM 564 OD1 ASP A 47 -16.587 -2.498 8.334 1.00 0.00 O ATOM 565 OD2 ASP A 47 -17.189 -1.188 6.691 1.00 0.00 O ATOM 0 H ASP A 47 -14.444 -4.804 4.651 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.504 -4.666 6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.570 -2.869 6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.448 -2.254 5.306 1.00 0.00 H new ATOM 570 N LEU A 48 -16.527 -4.042 3.549 1.00 0.00 N ATOM 571 CA LEU A 48 -17.351 -4.028 2.330 1.00 0.00 C ATOM 572 C LEU A 48 -18.138 -2.720 2.182 1.00 0.00 C ATOM 573 O LEU A 48 -18.880 -2.535 1.221 1.00 0.00 O ATOM 574 CB LEU A 48 -18.293 -5.247 2.288 1.00 0.00 C ATOM 575 CG LEU A 48 -19.011 -5.498 0.964 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.008 -5.788 -0.139 1.00 0.00 C ATOM 577 CD2 LEU A 48 -19.996 -6.642 1.107 1.00 0.00 C ATOM 0 H LEU A 48 -15.530 -3.925 3.369 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.671 -4.091 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.714 -6.136 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.045 -5.126 3.068 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.565 -4.599 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.538 -5.964 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.339 -4.936 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.427 -6.673 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.500 -6.809 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -19.463 -7.547 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.734 -6.394 1.870 1.00 0.00 H new ATOM 589 N LYS A 49 -17.966 -1.810 3.126 1.00 0.00 N ATOM 590 CA LYS A 49 -18.663 -0.531 3.070 1.00 0.00 C ATOM 591 C LYS A 49 -17.731 0.559 2.574 1.00 0.00 C ATOM 592 O LYS A 49 -18.093 1.736 2.521 1.00 0.00 O ATOM 593 CB LYS A 49 -19.251 -0.175 4.435 1.00 0.00 C ATOM 594 CG LYS A 49 -20.043 -1.317 5.060 1.00 0.00 C ATOM 595 CD LYS A 49 -21.136 -1.813 4.129 1.00 0.00 C ATOM 596 CE LYS A 49 -21.609 -3.193 4.532 1.00 0.00 C ATOM 597 NZ LYS A 49 -22.672 -3.699 3.631 1.00 0.00 N ATOM 0 H LYS A 49 -17.356 -1.929 3.935 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.489 -0.617 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.443 0.111 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.900 0.694 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.369 -2.139 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -20.487 -0.983 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -21.976 -1.118 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.763 -1.837 3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.765 -3.883 4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.984 -3.164 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.968 -4.646 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -23.488 -3.054 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.307 -3.752 2.659 1.00 0.00 H new ATOM 611 N ILE A 50 -16.531 0.152 2.207 1.00 0.00 N ATOM 612 CA ILE A 50 -15.557 1.058 1.638 1.00 0.00 C ATOM 613 C ILE A 50 -15.917 1.306 0.172 1.00 0.00 C ATOM 614 O ILE A 50 -16.549 0.458 -0.464 1.00 0.00 O ATOM 615 CB ILE A 50 -14.091 0.497 1.785 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.599 0.643 3.234 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.115 1.185 0.836 1.00 0.00 C ATOM 618 CD1 ILE A 50 -14.188 -0.362 4.200 1.00 0.00 C ATOM 0 H ILE A 50 -16.207 -0.811 2.295 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.582 2.003 2.181 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.126 -0.559 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.513 0.548 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.835 1.647 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.118 0.766 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.437 1.028 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.092 2.254 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.786 -0.186 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.272 -0.254 4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.930 -1.371 3.878 1.00 0.00 H new ATOM 630 N GLU A 51 -15.526 2.446 -0.362 1.00 0.00 N ATOM 631 CA GLU A 51 -15.894 2.801 -1.713 1.00 0.00 C ATOM 632 C GLU A 51 -14.670 2.786 -2.614 1.00 0.00 C ATOM 633 O GLU A 51 -13.580 3.185 -2.201 1.00 0.00 O ATOM 634 CB GLU A 51 -16.558 4.183 -1.738 1.00 0.00 C ATOM 635 CG GLU A 51 -17.074 4.594 -3.106 1.00 0.00 C ATOM 636 CD GLU A 51 -18.066 3.602 -3.668 1.00 0.00 C ATOM 637 OE1 GLU A 51 -17.639 2.657 -4.362 1.00 0.00 O ATOM 638 OE2 GLU A 51 -19.282 3.764 -3.425 1.00 0.00 O ATOM 0 H GLU A 51 -14.954 3.140 0.120 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.608 2.066 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.387 4.189 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.839 4.927 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.545 5.574 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.234 4.693 -3.794 1.00 0.00 H new ATOM 645 N GLN A 52 -14.846 2.317 -3.834 1.00 0.00 N ATOM 646 CA GLN A 52 -13.756 2.266 -4.786 1.00 0.00 C ATOM 647 C GLN A 52 -13.584 3.612 -5.463 1.00 0.00 C ATOM 648 O GLN A 52 -14.273 3.922 -6.437 1.00 0.00 O ATOM 649 CB GLN A 52 -13.985 1.182 -5.834 1.00 0.00 C ATOM 650 CG GLN A 52 -13.994 -0.229 -5.282 1.00 0.00 C ATOM 651 CD GLN A 52 -14.164 -1.264 -6.372 1.00 0.00 C ATOM 652 OE1 GLN A 52 -13.755 -1.053 -7.516 1.00 0.00 O ATOM 653 NE2 GLN A 52 -14.759 -2.387 -6.032 1.00 0.00 N ATOM 0 H GLN A 52 -15.735 1.966 -4.189 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.846 2.022 -4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -14.936 1.370 -6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.207 1.257 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.062 -0.415 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.802 -0.330 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.083 -2.523 -5.074 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -14.896 -3.122 -6.726 1.00 0.00 H new ATOM 662 N SER A 53 -12.702 4.419 -4.927 1.00 0.00 N ATOM 663 CA SER A 53 -12.427 5.725 -5.480 1.00 0.00 C ATOM 664 C SER A 53 -10.922 5.987 -5.474 1.00 0.00 C ATOM 665 O SER A 53 -10.198 5.422 -4.644 1.00 0.00 O ATOM 666 CB SER A 53 -13.152 6.801 -4.662 1.00 0.00 C ATOM 667 OG SER A 53 -14.537 6.521 -4.561 1.00 0.00 O ATOM 0 H SER A 53 -12.155 4.191 -4.097 1.00 0.00 H new ATOM 0 HA SER A 53 -12.787 5.760 -6.508 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.716 6.859 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.008 7.775 -5.129 1.00 0.00 H new ATOM 0 HG SER A 53 -14.975 7.221 -4.034 1.00 0.00 H new ATOM 673 N PRO A 54 -10.424 6.843 -6.394 1.00 0.00 N ATOM 674 CA PRO A 54 -8.991 7.185 -6.471 1.00 0.00 C ATOM 675 C PRO A 54 -8.493 7.816 -5.173 1.00 0.00 C ATOM 676 O PRO A 54 -7.299 7.787 -4.870 1.00 0.00 O ATOM 677 CB PRO A 54 -8.921 8.206 -7.616 1.00 0.00 C ATOM 678 CG PRO A 54 -10.154 7.965 -8.417 1.00 0.00 C ATOM 679 CD PRO A 54 -11.205 7.530 -7.442 1.00 0.00 C ATOM 0 HA PRO A 54 -8.368 6.306 -6.634 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.890 9.227 -7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.024 8.064 -8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.460 8.870 -8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.984 7.199 -9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.759 8.379 -7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.933 6.864 -7.904 1.00 0.00 H new ATOM 687 N GLU A 55 -9.431 8.365 -4.407 1.00 0.00 N ATOM 688 CA GLU A 55 -9.139 8.991 -3.127 1.00 0.00 C ATOM 689 C GLU A 55 -8.508 7.983 -2.175 1.00 0.00 C ATOM 690 O GLU A 55 -7.586 8.304 -1.426 1.00 0.00 O ATOM 691 CB GLU A 55 -10.428 9.530 -2.511 1.00 0.00 C ATOM 692 CG GLU A 55 -11.239 10.403 -3.450 1.00 0.00 C ATOM 693 CD GLU A 55 -12.538 10.860 -2.833 1.00 0.00 C ATOM 694 OE1 GLU A 55 -13.539 10.109 -2.904 1.00 0.00 O ATOM 695 OE2 GLU A 55 -12.574 11.975 -2.278 1.00 0.00 O ATOM 0 H GLU A 55 -10.419 8.387 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.440 9.811 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.044 8.691 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.180 10.105 -1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.648 11.274 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.450 9.850 -4.365 1.00 0.00 H new ATOM 702 N LEU A 56 -9.008 6.753 -2.227 1.00 0.00 N ATOM 703 CA LEU A 56 -8.516 5.687 -1.373 1.00 0.00 C ATOM 704 C LEU A 56 -7.104 5.290 -1.768 1.00 0.00 C ATOM 705 O LEU A 56 -6.241 5.165 -0.916 1.00 0.00 O ATOM 706 CB LEU A 56 -9.453 4.463 -1.412 1.00 0.00 C ATOM 707 CG LEU A 56 -10.787 4.586 -0.643 1.00 0.00 C ATOM 708 CD1 LEU A 56 -10.545 4.906 0.825 1.00 0.00 C ATOM 709 CD2 LEU A 56 -11.701 5.629 -1.275 1.00 0.00 C ATOM 0 H LEU A 56 -9.759 6.472 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.496 6.063 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.680 4.242 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.909 3.606 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.288 3.620 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.501 4.987 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.954 4.110 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.007 5.850 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.630 5.689 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.206 6.600 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.921 5.344 -2.304 1.00 0.00 H new ATOM 721 N SER A 57 -6.878 5.101 -3.068 1.00 0.00 N ATOM 722 CA SER A 57 -5.553 4.754 -3.581 1.00 0.00 C ATOM 723 C SER A 57 -4.525 5.810 -3.145 1.00 0.00 C ATOM 724 O SER A 57 -3.544 5.497 -2.468 1.00 0.00 O ATOM 725 CB SER A 57 -5.599 4.645 -5.120 1.00 0.00 C ATOM 726 OG SER A 57 -4.348 4.247 -5.661 1.00 0.00 O ATOM 0 H SER A 57 -7.597 5.183 -3.786 1.00 0.00 H new ATOM 0 HA SER A 57 -5.252 3.790 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.365 3.926 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.888 5.607 -5.543 1.00 0.00 H new ATOM 0 HG SER A 57 -4.418 4.188 -6.637 1.00 0.00 H new ATOM 732 N ALA A 58 -4.760 7.047 -3.563 1.00 0.00 N ATOM 733 CA ALA A 58 -3.923 8.189 -3.179 1.00 0.00 C ATOM 734 C ALA A 58 -3.581 8.191 -1.676 1.00 0.00 C ATOM 735 O ALA A 58 -2.433 8.432 -1.296 1.00 0.00 O ATOM 736 CB ALA A 58 -4.608 9.492 -3.566 1.00 0.00 C ATOM 0 H ALA A 58 -5.535 7.293 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.981 8.096 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.979 10.334 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.769 9.512 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.568 9.564 -3.055 1.00 0.00 H new ATOM 742 N LYS A 59 -4.562 7.896 -0.838 1.00 0.00 N ATOM 743 CA LYS A 59 -4.367 7.914 0.613 1.00 0.00 C ATOM 744 C LYS A 59 -3.655 6.653 1.125 1.00 0.00 C ATOM 745 O LYS A 59 -2.741 6.742 1.957 1.00 0.00 O ATOM 746 CB LYS A 59 -5.712 8.077 1.328 1.00 0.00 C ATOM 747 CG LYS A 59 -5.613 8.051 2.850 1.00 0.00 C ATOM 748 CD LYS A 59 -6.986 8.150 3.502 1.00 0.00 C ATOM 749 CE LYS A 59 -7.654 9.475 3.186 1.00 0.00 C ATOM 750 NZ LYS A 59 -9.002 9.576 3.787 1.00 0.00 N ATOM 0 H LYS A 59 -5.504 7.640 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.725 8.766 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.164 9.020 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.383 7.281 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.124 7.130 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.988 8.877 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.616 7.331 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.887 8.039 4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.032 10.291 3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.730 9.594 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.421 10.497 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.605 8.813 3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.929 9.489 4.821 1.00 0.00 H new ATOM 764 N VAL A 60 -4.071 5.491 0.619 1.00 0.00 N ATOM 765 CA VAL A 60 -3.548 4.197 1.075 1.00 0.00 C ATOM 766 C VAL A 60 -2.034 4.065 0.861 1.00 0.00 C ATOM 767 O VAL A 60 -1.395 3.254 1.497 1.00 0.00 O ATOM 768 CB VAL A 60 -4.291 2.997 0.407 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.851 2.797 -1.032 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.104 1.721 1.214 1.00 0.00 C ATOM 0 H VAL A 60 -4.776 5.417 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.737 4.164 2.148 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.354 3.239 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.390 1.953 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.067 3.698 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.780 2.596 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.632 0.901 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.042 1.483 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.504 1.864 2.218 1.00 0.00 H new ATOM 780 N VAL A 61 -1.473 4.863 -0.032 1.00 0.00 N ATOM 781 CA VAL A 61 -0.032 4.819 -0.266 1.00 0.00 C ATOM 782 C VAL A 61 0.677 6.002 0.407 1.00 0.00 C ATOM 783 O VAL A 61 1.793 5.867 0.921 1.00 0.00 O ATOM 784 CB VAL A 61 0.330 4.758 -1.782 1.00 0.00 C ATOM 785 CG1 VAL A 61 -0.158 5.994 -2.523 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.840 4.560 -1.975 1.00 0.00 C ATOM 0 H VAL A 61 -1.980 5.541 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 61 0.323 3.894 0.187 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.183 3.897 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.112 5.917 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.241 6.070 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.306 6.882 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.069 4.520 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.377 5.392 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.148 3.627 -1.503 1.00 0.00 H new ATOM 796 N GLU A 62 0.003 7.153 0.431 1.00 0.00 N ATOM 797 CA GLU A 62 0.574 8.372 0.992 1.00 0.00 C ATOM 798 C GLU A 62 0.889 8.214 2.477 1.00 0.00 C ATOM 799 O GLU A 62 2.052 8.292 2.883 1.00 0.00 O ATOM 800 CB GLU A 62 -0.366 9.553 0.785 1.00 0.00 C ATOM 801 CG GLU A 62 0.267 10.891 1.107 1.00 0.00 C ATOM 802 CD GLU A 62 -0.724 12.025 1.090 1.00 0.00 C ATOM 803 OE1 GLU A 62 -1.254 12.349 0.004 1.00 0.00 O ATOM 804 OE2 GLU A 62 -0.981 12.599 2.160 1.00 0.00 O ATOM 0 H GLU A 62 -0.943 7.263 0.066 1.00 0.00 H new ATOM 0 HA GLU A 62 1.509 8.563 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.705 9.560 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.249 9.418 1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.736 10.839 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.059 11.096 0.387 1.00 0.00 H new ATOM 811 N LYS A 63 -0.146 7.979 3.281 1.00 0.00 N ATOM 812 CA LYS A 63 0.027 7.833 4.726 1.00 0.00 C ATOM 813 C LYS A 63 0.822 6.584 5.048 1.00 0.00 C ATOM 814 O LYS A 63 1.620 6.569 5.973 1.00 0.00 O ATOM 815 CB LYS A 63 -1.323 7.788 5.438 1.00 0.00 C ATOM 816 CG LYS A 63 -2.103 9.086 5.371 1.00 0.00 C ATOM 817 CD LYS A 63 -3.288 9.053 6.315 1.00 0.00 C ATOM 818 CE LYS A 63 -3.941 10.419 6.438 1.00 0.00 C ATOM 819 NZ LYS A 63 -4.997 10.429 7.480 1.00 0.00 N ATOM 0 H LYS A 63 -1.109 7.886 2.959 1.00 0.00 H new ATOM 0 HA LYS A 63 0.578 8.703 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.926 6.992 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.161 7.528 6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.451 9.921 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.450 9.255 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.020 8.330 5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.962 8.715 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.183 11.164 6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.373 10.704 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.421 11.377 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.732 9.735 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.579 10.182 8.400 1.00 0.00 H new ATOM 833 N LEU A 64 0.584 5.551 4.274 1.00 0.00 N ATOM 834 CA LEU A 64 1.277 4.280 4.420 1.00 0.00 C ATOM 835 C LEU A 64 2.795 4.486 4.487 1.00 0.00 C ATOM 836 O LEU A 64 3.459 4.021 5.415 1.00 0.00 O ATOM 837 CB LEU A 64 0.895 3.377 3.245 1.00 0.00 C ATOM 838 CG LEU A 64 1.514 1.985 3.195 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.563 1.018 2.510 1.00 0.00 C ATOM 840 CD2 LEU A 64 2.828 2.018 2.442 1.00 0.00 C ATOM 0 H LEU A 64 -0.100 5.563 3.518 1.00 0.00 H new ATOM 0 HA LEU A 64 0.978 3.806 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.189 3.263 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.159 3.895 2.323 1.00 0.00 H new ATOM 0 HG LEU A 64 1.698 1.652 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.013 0.026 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.374 0.974 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.366 1.360 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.257 1.016 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.655 2.366 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.518 2.695 2.945 1.00 0.00 H new ATOM 852 N ASN A 65 3.320 5.204 3.511 1.00 0.00 N ATOM 853 CA ASN A 65 4.759 5.480 3.418 1.00 0.00 C ATOM 854 C ASN A 65 5.253 6.252 4.623 1.00 0.00 C ATOM 855 O ASN A 65 6.353 6.026 5.094 1.00 0.00 O ATOM 856 CB ASN A 65 5.075 6.256 2.142 1.00 0.00 C ATOM 857 CG ASN A 65 6.530 6.688 2.064 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.437 5.933 2.404 1.00 0.00 O ATOM 859 ND2 ASN A 65 6.759 7.918 1.635 1.00 0.00 N ATOM 0 H ASN A 65 2.770 5.616 2.757 1.00 0.00 H new ATOM 0 HA ASN A 65 5.275 4.520 3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.837 5.637 1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.435 7.137 2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.715 8.268 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.979 8.516 1.361 1.00 0.00 H new ATOM 866 N GLN A 66 4.429 7.158 5.114 1.00 0.00 N ATOM 867 CA GLN A 66 4.776 7.943 6.288 1.00 0.00 C ATOM 868 C GLN A 66 5.148 7.008 7.453 1.00 0.00 C ATOM 869 O GLN A 66 6.143 7.225 8.144 1.00 0.00 O ATOM 870 CB GLN A 66 3.623 8.919 6.629 1.00 0.00 C ATOM 871 CG GLN A 66 3.545 9.392 8.080 1.00 0.00 C ATOM 872 CD GLN A 66 2.815 8.406 8.976 1.00 0.00 C ATOM 873 OE1 GLN A 66 3.100 8.301 10.171 1.00 0.00 O ATOM 874 NE2 GLN A 66 1.871 7.677 8.398 1.00 0.00 N ATOM 0 H GLN A 66 3.513 7.370 4.719 1.00 0.00 H new ATOM 0 HA GLN A 66 5.655 8.556 6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.715 9.795 5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.679 8.436 6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.554 9.547 8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.038 10.356 8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.669 7.798 7.406 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.346 6.995 8.946 1.00 0.00 H new ATOM 883 N VAL A 67 4.335 5.972 7.653 1.00 0.00 N ATOM 884 CA VAL A 67 4.633 4.942 8.651 1.00 0.00 C ATOM 885 C VAL A 67 5.948 4.228 8.315 1.00 0.00 C ATOM 886 O VAL A 67 6.817 4.071 9.170 1.00 0.00 O ATOM 887 CB VAL A 67 3.498 3.887 8.745 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.833 2.816 9.774 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.176 4.550 9.083 1.00 0.00 C ATOM 0 H VAL A 67 3.467 5.822 7.139 1.00 0.00 H new ATOM 0 HA VAL A 67 4.721 5.448 9.612 1.00 0.00 H new ATOM 0 HB VAL A 67 3.405 3.407 7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.022 2.089 9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.756 2.312 9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.962 3.279 10.752 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.394 3.793 9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.260 5.062 10.041 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.922 5.272 8.307 1.00 0.00 H new ATOM 899 N CYS A 68 6.087 3.823 7.058 1.00 0.00 N ATOM 900 CA CYS A 68 7.280 3.111 6.586 1.00 0.00 C ATOM 901 C CYS A 68 8.544 3.973 6.697 1.00 0.00 C ATOM 902 O CYS A 68 9.653 3.457 6.793 1.00 0.00 O ATOM 903 CB CYS A 68 7.076 2.668 5.147 1.00 0.00 C ATOM 904 SG CYS A 68 5.558 1.698 4.884 1.00 0.00 S ATOM 0 H CYS A 68 5.382 3.975 6.336 1.00 0.00 H new ATOM 0 HA CYS A 68 7.422 2.239 7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.048 3.549 4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.934 2.073 4.835 1.00 0.00 H new ATOM 909 N ALA A 69 8.365 5.279 6.675 1.00 0.00 N ATOM 910 CA ALA A 69 9.476 6.203 6.821 1.00 0.00 C ATOM 911 C ALA A 69 9.997 6.174 8.251 1.00 0.00 C ATOM 912 O ALA A 69 11.153 6.505 8.516 1.00 0.00 O ATOM 913 CB ALA A 69 9.053 7.614 6.436 1.00 0.00 C ATOM 0 H ALA A 69 7.457 5.727 6.557 1.00 0.00 H new ATOM 0 HA ALA A 69 10.277 5.892 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.899 8.292 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.720 7.624 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.237 7.938 7.082 1.00 0.00 H new ATOM 919 N LYS A 70 9.134 5.770 9.165 1.00 0.00 N ATOM 920 CA LYS A 70 9.479 5.683 10.572 1.00 0.00 C ATOM 921 C LYS A 70 9.855 4.255 10.953 1.00 0.00 C ATOM 922 O LYS A 70 10.419 4.017 12.015 1.00 0.00 O ATOM 923 CB LYS A 70 8.310 6.181 11.411 1.00 0.00 C ATOM 924 CG LYS A 70 7.904 7.590 11.043 1.00 0.00 C ATOM 925 CD LYS A 70 6.596 8.000 11.675 1.00 0.00 C ATOM 926 CE LYS A 70 6.176 9.359 11.163 1.00 0.00 C ATOM 927 NZ LYS A 70 4.876 9.797 11.715 1.00 0.00 N ATOM 0 H LYS A 70 8.175 5.493 8.953 1.00 0.00 H new ATOM 0 HA LYS A 70 10.348 6.312 10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.459 5.513 11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.581 6.146 12.466 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.686 8.283 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.820 7.669 9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.826 7.263 11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.700 8.027 12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.941 10.092 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.114 9.330 10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.782 10.827 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.104 9.322 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.826 9.550 12.724 1.00 0.00 H new ATOM 941 N ASP A 71 9.540 3.314 10.079 1.00 0.00 N ATOM 942 CA ASP A 71 9.887 1.912 10.289 1.00 0.00 C ATOM 943 C ASP A 71 10.176 1.250 8.952 1.00 0.00 C ATOM 944 O ASP A 71 9.256 0.909 8.208 1.00 0.00 O ATOM 945 CB ASP A 71 8.774 1.155 11.014 1.00 0.00 C ATOM 946 CG ASP A 71 9.175 -0.278 11.334 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.791 -0.502 12.399 1.00 0.00 O ATOM 948 OD2 ASP A 71 8.878 -1.181 10.535 1.00 0.00 O ATOM 0 H ASP A 71 9.040 3.495 9.209 1.00 0.00 H new ATOM 0 HA ASP A 71 10.776 1.878 10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.523 1.676 11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.876 1.151 10.396 1.00 0.00 H new ATOM 953 N PRO A 72 11.456 1.072 8.623 1.00 0.00 N ATOM 954 CA PRO A 72 11.855 0.501 7.346 1.00 0.00 C ATOM 955 C PRO A 72 11.644 -1.013 7.266 1.00 0.00 C ATOM 956 O PRO A 72 11.697 -1.592 6.183 1.00 0.00 O ATOM 957 CB PRO A 72 13.336 0.859 7.226 1.00 0.00 C ATOM 958 CG PRO A 72 13.813 1.091 8.622 1.00 0.00 C ATOM 959 CD PRO A 72 12.607 1.423 9.469 1.00 0.00 C ATOM 0 HA PRO A 72 11.248 0.896 6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.896 0.054 6.750 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.475 1.749 6.612 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.318 0.205 9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.536 1.907 8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.605 0.853 10.398 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.592 2.478 9.742 1.00 0.00 H new ATOM 967 N GLN A 73 11.430 -1.659 8.412 1.00 0.00 N ATOM 968 CA GLN A 73 11.163 -3.099 8.437 1.00 0.00 C ATOM 969 C GLN A 73 9.770 -3.422 7.892 1.00 0.00 C ATOM 970 O GLN A 73 9.466 -4.581 7.601 1.00 0.00 O ATOM 971 CB GLN A 73 11.280 -3.676 9.859 1.00 0.00 C ATOM 972 CG GLN A 73 12.665 -3.599 10.489 1.00 0.00 C ATOM 973 CD GLN A 73 12.973 -2.245 11.091 1.00 0.00 C ATOM 974 OE1 GLN A 73 13.553 -1.379 10.444 1.00 0.00 O ATOM 975 NE2 GLN A 73 12.570 -2.052 12.328 1.00 0.00 N ATOM 0 H GLN A 73 11.436 -1.213 9.329 1.00 0.00 H new ATOM 0 HA GLN A 73 11.918 -3.559 7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.577 -3.149 10.504 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.969 -4.720 9.835 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.747 -4.361 11.264 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.414 -3.832 9.732 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.091 -2.799 12.831 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.736 -1.155 12.785 1.00 0.00 H new ATOM 984 N MET A 74 8.936 -2.404 7.752 1.00 0.00 N ATOM 985 CA MET A 74 7.571 -2.591 7.288 1.00 0.00 C ATOM 986 C MET A 74 7.537 -2.919 5.797 1.00 0.00 C ATOM 987 O MET A 74 7.984 -2.132 4.971 1.00 0.00 O ATOM 988 CB MET A 74 6.734 -1.336 7.573 1.00 0.00 C ATOM 989 CG MET A 74 5.290 -1.426 7.091 1.00 0.00 C ATOM 990 SD MET A 74 4.335 -2.704 7.941 1.00 0.00 S ATOM 991 CE MET A 74 4.272 -2.033 9.604 1.00 0.00 C ATOM 0 H MET A 74 9.182 -1.435 7.954 1.00 0.00 H new ATOM 0 HA MET A 74 7.143 -3.434 7.831 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.736 -1.148 8.647 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.211 -0.479 7.098 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.804 -0.461 7.237 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.283 -1.628 6.020 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.483 -2.531 10.168 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.229 -2.196 10.099 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.065 -0.964 9.557 1.00 0.00 H new ATOM 1001 N LEU A 75 7.013 -4.084 5.466 1.00 0.00 N ATOM 1002 CA LEU A 75 6.895 -4.502 4.077 1.00 0.00 C ATOM 1003 C LEU A 75 5.648 -3.881 3.460 1.00 0.00 C ATOM 1004 O LEU A 75 4.736 -3.477 4.175 1.00 0.00 O ATOM 1005 CB LEU A 75 6.823 -6.030 3.986 1.00 0.00 C ATOM 1006 CG LEU A 75 8.032 -6.787 4.547 1.00 0.00 C ATOM 1007 CD1 LEU A 75 7.783 -8.286 4.515 1.00 0.00 C ATOM 1008 CD2 LEU A 75 9.292 -6.442 3.765 1.00 0.00 C ATOM 0 H LEU A 75 6.660 -4.762 6.141 1.00 0.00 H new ATOM 0 HA LEU A 75 7.774 -4.163 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.930 -6.365 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.697 -6.308 2.940 1.00 0.00 H new ATOM 0 HG LEU A 75 8.176 -6.481 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.652 -8.808 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.907 -8.522 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.612 -8.605 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.139 -6.990 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.158 -6.718 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.483 -5.371 3.836 1.00 0.00 H new ATOM 1020 N LEU A 76 5.600 -3.808 2.139 1.00 0.00 N ATOM 1021 CA LEU A 76 4.455 -3.210 1.464 1.00 0.00 C ATOM 1022 C LEU A 76 3.206 -4.047 1.671 1.00 0.00 C ATOM 1023 O LEU A 76 2.118 -3.511 1.866 1.00 0.00 O ATOM 1024 CB LEU A 76 4.728 -3.025 -0.029 1.00 0.00 C ATOM 1025 CG LEU A 76 3.611 -2.343 -0.836 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.328 -0.946 -0.302 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.975 -2.284 -2.309 1.00 0.00 C ATOM 0 H LEU A 76 6.332 -4.151 1.517 1.00 0.00 H new ATOM 0 HA LEU A 76 4.290 -2.227 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.641 -2.440 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.921 -4.004 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 76 2.705 -2.939 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.534 -0.486 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.016 -1.011 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.231 -0.339 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.172 -1.798 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.897 -1.716 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.118 -3.295 -2.689 1.00 0.00 H new ATOM 1039 N ILE A 77 3.369 -5.360 1.651 1.00 0.00 N ATOM 1040 CA ILE A 77 2.249 -6.259 1.837 1.00 0.00 C ATOM 1041 C ILE A 77 1.614 -6.063 3.228 1.00 0.00 C ATOM 1042 O ILE A 77 0.394 -5.946 3.348 1.00 0.00 O ATOM 1043 CB ILE A 77 2.655 -7.749 1.612 1.00 0.00 C ATOM 1044 CG1 ILE A 77 1.427 -8.668 1.680 1.00 0.00 C ATOM 1045 CG2 ILE A 77 3.726 -8.200 2.600 1.00 0.00 C ATOM 1046 CD1 ILE A 77 0.476 -8.498 0.510 1.00 0.00 C ATOM 0 H ILE A 77 4.266 -5.824 1.508 1.00 0.00 H new ATOM 0 HA ILE A 77 1.503 -6.011 1.082 1.00 0.00 H new ATOM 0 HB ILE A 77 3.083 -7.821 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.761 -9.705 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.888 -8.472 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.981 -9.243 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.615 -7.581 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.348 -8.099 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.368 -9.179 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.112 -7.471 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.999 -8.722 -0.420 1.00 0.00 H new ATOM 1058 N THR A 78 2.448 -6.003 4.266 1.00 0.00 N ATOM 1059 CA THR A 78 1.960 -5.789 5.618 1.00 0.00 C ATOM 1060 C THR A 78 1.398 -4.381 5.775 1.00 0.00 C ATOM 1061 O THR A 78 0.395 -4.172 6.460 1.00 0.00 O ATOM 1062 CB THR A 78 3.078 -6.030 6.655 1.00 0.00 C ATOM 1063 OG1 THR A 78 4.241 -5.273 6.303 1.00 0.00 O ATOM 1064 CG2 THR A 78 3.444 -7.501 6.711 1.00 0.00 C ATOM 0 H THR A 78 3.461 -6.100 4.192 1.00 0.00 H new ATOM 0 HA THR A 78 1.160 -6.507 5.798 1.00 0.00 H new ATOM 0 HB THR A 78 2.712 -5.714 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.143 -4.353 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.234 -7.652 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.567 -8.084 6.995 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.794 -7.826 5.731 1.00 0.00 H new ATOM 1072 N ALA A 79 2.075 -3.421 5.163 1.00 0.00 N ATOM 1073 CA ALA A 79 1.625 -2.034 5.148 1.00 0.00 C ATOM 1074 C ALA A 79 0.200 -1.909 4.597 1.00 0.00 C ATOM 1075 O ALA A 79 -0.616 -1.155 5.136 1.00 0.00 O ATOM 1076 CB ALA A 79 2.588 -1.183 4.344 1.00 0.00 C ATOM 0 H ALA A 79 2.950 -3.579 4.663 1.00 0.00 H new ATOM 0 HA ALA A 79 1.608 -1.674 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.243 -0.149 4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.580 -1.232 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.635 -1.555 3.320 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.099 -2.644 3.525 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.444 -2.645 2.944 1.00 0.00 C ATOM 1084 C ILE A 80 -2.447 -3.235 3.939 1.00 0.00 C ATOM 1085 O ILE A 80 -3.584 -2.776 4.050 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.490 -3.435 1.604 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.640 -2.732 0.538 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.927 -3.607 1.111 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -1.139 -1.350 0.161 1.00 0.00 C ATOM 0 H ILE A 80 0.569 -3.245 3.042 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.714 -1.611 2.729 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.076 -4.427 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.384 -2.650 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.612 -3.353 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.926 -4.163 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.504 -4.154 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.377 -2.627 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.484 -0.921 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.152 -1.424 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.140 -0.710 1.043 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.007 -4.237 4.675 1.00 0.00 N ATOM 1102 CA ASP A 81 -2.833 -4.856 5.707 1.00 0.00 C ATOM 1103 C ASP A 81 -3.080 -3.868 6.850 1.00 0.00 C ATOM 1104 O ASP A 81 -4.172 -3.806 7.421 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.147 -6.121 6.237 1.00 0.00 C ATOM 1106 CG ASP A 81 -2.843 -6.717 7.445 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.783 -7.510 7.266 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -2.431 -6.411 8.584 1.00 0.00 O ATOM 0 H ASP A 81 -1.077 -4.646 4.580 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.794 -5.132 5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.110 -6.866 5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.116 -5.884 6.500 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.059 -3.073 7.154 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.135 -2.079 8.224 1.00 0.00 C ATOM 1115 C ASP A 82 -3.089 -0.948 7.851 1.00 0.00 C ATOM 1116 O ASP A 82 -3.787 -0.398 8.709 1.00 0.00 O ATOM 1117 CB ASP A 82 -0.745 -1.518 8.537 1.00 0.00 C ATOM 1118 CG ASP A 82 -0.752 -0.587 9.733 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -0.746 -1.087 10.878 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.774 0.648 9.538 1.00 0.00 O ATOM 0 H ASP A 82 -1.161 -3.097 6.671 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.521 -2.573 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.058 -2.343 8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.368 -0.983 7.666 1.00 0.00 H new ATOM 1125 N THR A 83 -3.132 -0.612 6.576 1.00 0.00 N ATOM 1126 CA THR A 83 -4.016 0.430 6.106 1.00 0.00 C ATOM 1127 C THR A 83 -5.439 -0.105 5.940 1.00 0.00 C ATOM 1128 O THR A 83 -6.409 0.598 6.220 1.00 0.00 O ATOM 1129 CB THR A 83 -3.513 1.041 4.787 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.905 0.026 3.988 1.00 0.00 O ATOM 1131 CG2 THR A 83 -2.507 2.149 5.055 1.00 0.00 C ATOM 0 H THR A 83 -2.564 -1.047 5.849 1.00 0.00 H new ATOM 0 HA THR A 83 -4.026 1.220 6.857 1.00 0.00 H new ATOM 0 HB THR A 83 -4.365 1.466 4.256 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.412 -0.808 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.165 2.567 4.108 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.978 2.933 5.648 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.656 1.743 5.601 1.00 0.00 H new ATOM 1139 N MET A 84 -5.547 -1.363 5.490 1.00 0.00 N ATOM 1140 CA MET A 84 -6.844 -2.046 5.348 1.00 0.00 C ATOM 1141 C MET A 84 -7.666 -1.941 6.629 1.00 0.00 C ATOM 1142 O MET A 84 -8.878 -1.734 6.591 1.00 0.00 O ATOM 1143 CB MET A 84 -6.633 -3.531 5.021 1.00 0.00 C ATOM 1144 CG MET A 84 -7.921 -4.305 4.851 1.00 0.00 C ATOM 1145 SD MET A 84 -7.766 -6.048 5.276 1.00 0.00 S ATOM 1146 CE MET A 84 -7.651 -5.932 7.059 1.00 0.00 C ATOM 0 H MET A 84 -4.747 -1.933 5.216 1.00 0.00 H new ATOM 0 HA MET A 84 -7.382 -1.558 4.536 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.047 -3.613 4.106 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.046 -3.989 5.817 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.693 -3.854 5.474 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.255 -4.219 3.817 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.904 -6.895 7.503 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.634 -5.658 7.341 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.345 -5.172 7.420 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.996 -2.071 7.761 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.668 -2.018 9.046 1.00 0.00 C ATOM 1158 C ARG A 85 -7.861 -0.571 9.492 1.00 0.00 C ATOM 1159 O ARG A 85 -8.824 -0.252 10.186 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.896 -2.813 10.103 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.471 -2.342 10.316 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.803 -3.087 11.449 1.00 0.00 C ATOM 1163 NE ARG A 85 -5.478 -2.860 12.724 1.00 0.00 N ATOM 1164 CZ ARG A 85 -4.960 -3.168 13.912 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -3.745 -3.706 13.993 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -5.660 -2.934 15.019 1.00 0.00 N ATOM 0 H ARG A 85 -5.988 -2.214 7.816 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.650 -2.476 8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.432 -2.753 11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.880 -3.863 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.899 -2.484 9.399 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.468 -1.273 10.531 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.796 -4.154 11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.763 -2.771 11.528 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.406 -2.438 12.704 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.208 -3.883 13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.351 -3.941 14.904 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.590 -2.520 14.956 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.267 -3.169 15.930 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.933 0.300 9.093 1.00 0.00 N ATOM 1181 CA ALA A 86 -7.019 1.725 9.413 1.00 0.00 C ATOM 1182 C ALA A 86 -8.259 2.354 8.788 1.00 0.00 C ATOM 1183 O ALA A 86 -8.946 3.155 9.420 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.766 2.452 8.951 1.00 0.00 C ATOM 0 H ALA A 86 -6.111 0.042 8.546 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.100 1.822 10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.848 3.511 9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.895 2.029 9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.656 2.338 7.873 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.548 1.983 7.543 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.729 2.492 6.844 1.00 0.00 C ATOM 1192 C ILE A 87 -10.970 1.722 7.296 1.00 0.00 C ATOM 1193 O ILE A 87 -12.108 2.087 6.977 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.570 2.365 5.308 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.224 2.931 4.865 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -10.706 3.089 4.583 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -7.963 2.760 3.392 1.00 0.00 C ATOM 0 H ILE A 87 -7.983 1.333 6.997 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.840 3.548 7.091 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.612 1.307 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.184 3.992 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.429 2.442 5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.574 2.987 3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.661 2.652 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.694 4.145 4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.990 3.184 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.972 1.699 3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.738 3.273 2.823 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.739 0.676 8.072 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.820 -0.130 8.588 1.00 0.00 C ATOM 1211 C GLY A 88 -12.452 0.523 9.795 1.00 0.00 C ATOM 1212 O GLY A 88 -12.562 -0.085 10.862 1.00 0.00 O ATOM 0 H GLY A 88 -9.809 0.369 8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.572 -0.275 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.446 -1.117 8.858 1.00 0.00 H new ATOM 1216 N LYS A 89 -12.833 1.774 9.632 1.00 0.00 N ATOM 1217 CA LYS A 89 -13.443 2.540 10.697 1.00 0.00 C ATOM 1218 C LYS A 89 -14.954 2.413 10.649 1.00 0.00 C ATOM 1219 O LYS A 89 -15.559 2.539 9.577 1.00 0.00 O ATOM 1220 CB LYS A 89 -13.029 4.011 10.587 1.00 0.00 C ATOM 1221 CG LYS A 89 -13.631 4.908 11.657 1.00 0.00 C ATOM 1222 CD LYS A 89 -13.150 6.340 11.514 1.00 0.00 C ATOM 1223 CE LYS A 89 -13.778 7.242 12.562 1.00 0.00 C ATOM 1224 NZ LYS A 89 -13.283 8.634 12.461 1.00 0.00 N ATOM 0 H LYS A 89 -12.728 2.287 8.757 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.097 2.145 11.652 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.942 4.076 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.321 4.387 9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.718 4.879 11.588 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.364 4.530 12.644 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.064 6.372 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.395 6.710 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.862 7.233 12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.560 6.850 13.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.736 9.217 13.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.252 8.647 12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.513 9.017 11.522 1.00 0.00 H new ATOM 1238 N LYS A 90 -15.557 2.162 11.817 1.00 0.00 N ATOM 1239 CA LYS A 90 -17.006 2.026 11.948 1.00 0.00 C ATOM 1240 C LYS A 90 -17.496 0.792 11.195 1.00 0.00 C ATOM 1241 O LYS A 90 -17.924 0.931 10.040 1.00 0.00 O ATOM 1242 CB LYS A 90 -17.717 3.287 11.437 1.00 0.00 C ATOM 1243 CG LYS A 90 -19.235 3.243 11.544 1.00 0.00 C ATOM 1244 CD LYS A 90 -19.892 4.179 10.533 1.00 0.00 C ATOM 1245 CE LYS A 90 -19.974 3.550 9.132 1.00 0.00 C ATOM 1246 NZ LYS A 90 -18.641 3.167 8.580 1.00 0.00 N ATOM 1247 OXT LYS A 90 -17.433 -0.320 11.766 1.00 0.00 O ATOM 0 H LYS A 90 -15.051 2.048 12.695 1.00 0.00 H new ATOM 0 HA LYS A 90 -17.245 1.904 13.004 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -17.351 4.147 11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -17.443 3.446 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -19.584 2.224 11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -19.538 3.524 12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -20.895 4.435 10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -19.327 5.109 10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -20.610 2.666 9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -20.453 4.255 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.752 2.844 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.006 3.990 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.236 2.399 9.153 1.00 0.00 H new TER 1261 LYS A 90