USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -143:sc= 0.0442 (180deg=-0.251) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.196 USER MOD Single : A 8 ASN : amide:sc= -0.0772 K(o=-0.077,f=-1.3!) USER MOD Single : A 9 ASN : amide:sc=-0.00206 K(o=-0.0021,f=-0.74) USER MOD Single : A 12 SER OG : rot 77:sc= 1.16 USER MOD Single : A 13 TYR OH : rot -124:sc= 1.2 USER MOD Single : A 15 ASN : amide:sc=-0.000785 X(o=-0.00078,f=-0.29) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0268 (180deg=-0.289) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 86:sc= 0.288 USER MOD Single : A 24 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.264 USER MOD Single : A 30 SER OG : rot -77:sc= 0.637 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 150:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.864 X(o=-0.86,f=-0.74) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= -0.0428 (180deg=-0.247) USER MOD Single : A 42 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.73) USER MOD Single : A 44 HIS : no HD1:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 45 THR OG1 : rot -8:sc= 0.945 USER MOD Single : A 46 LYS NZ :NH3+ -114:sc= 0.515 (180deg=0.0557) USER MOD Single : A 53 MET CE :methyl -149:sc= -3.55! (180deg=-6.81!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 83:sc= 1.31 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 69 GLN : amide:sc= -0.0168 K(o=-0.017,f=-0.54) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.52 K(o=-2.5,f=-7.8!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 15.600 -14.805 3.287 1.00 72.24 N ATOM 2 CA GLU A 1 15.985 -13.706 4.144 1.00 62.42 C ATOM 3 C GLU A 1 17.464 -13.385 3.950 1.00 12.51 C ATOM 4 O GLU A 1 17.948 -13.431 2.815 1.00 31.42 O ATOM 5 CB GLU A 1 15.661 -14.020 5.595 1.00 34.54 C ATOM 6 CG GLU A 1 14.194 -14.292 5.839 1.00 1.01 C ATOM 7 CD GLU A 1 13.882 -14.440 7.289 1.00 55.41 C ATOM 8 OE1 GLU A 1 14.309 -15.434 7.904 1.00 3.22 O ATOM 9 OE2 GLU A 1 13.180 -13.559 7.850 1.00 1.33 O ATOM 0 H1 GLU A 1 14.637 -14.645 2.929 1.00 72.24 H new ATOM 0 H2 GLU A 1 16.261 -14.869 2.487 1.00 72.24 H new ATOM 0 H3 GLU A 1 15.625 -15.693 3.828 1.00 72.24 H new ATOM 0 HA GLU A 1 15.412 -12.821 3.869 1.00 62.42 H new ATOM 0 HB2 GLU A 1 16.241 -14.888 5.909 1.00 34.54 H new ATOM 0 HB3 GLU A 1 15.976 -13.184 6.219 1.00 34.54 H new ATOM 0 HG2 GLU A 1 13.601 -13.477 5.423 1.00 1.01 H new ATOM 0 HG3 GLU A 1 13.902 -15.200 5.312 1.00 1.01 H new ATOM 16 N SER A 2 18.161 -13.022 5.044 1.00 63.30 N ATOM 17 CA SER A 2 19.566 -12.547 5.061 1.00 3.22 C ATOM 18 C SER A 2 19.618 -11.095 4.577 1.00 12.42 C ATOM 19 O SER A 2 20.306 -10.248 5.145 1.00 70.35 O ATOM 20 CB SER A 2 20.484 -13.460 4.249 1.00 25.52 C ATOM 21 OG SER A 2 20.396 -14.798 4.717 1.00 24.21 O ATOM 0 H SER A 2 17.749 -13.051 5.977 1.00 63.30 H new ATOM 0 HA SER A 2 19.939 -12.583 6.085 1.00 3.22 H new ATOM 0 HB2 SER A 2 20.208 -13.418 3.195 1.00 25.52 H new ATOM 0 HB3 SER A 2 21.513 -13.110 4.323 1.00 25.52 H new ATOM 0 HG SER A 2 20.988 -15.370 4.186 1.00 24.21 H new ATOM 27 N ASP A 3 18.883 -10.855 3.530 1.00 55.44 N ATOM 28 CA ASP A 3 18.594 -9.570 2.987 1.00 24.10 C ATOM 29 C ASP A 3 17.213 -9.683 2.450 1.00 2.15 C ATOM 30 O ASP A 3 16.962 -10.506 1.570 1.00 43.43 O ATOM 31 CB ASP A 3 19.546 -9.144 1.850 1.00 70.22 C ATOM 32 CG ASP A 3 20.934 -8.779 2.307 1.00 5.40 C ATOM 33 OD1 ASP A 3 21.089 -7.776 3.045 1.00 30.20 O ATOM 34 OD2 ASP A 3 21.911 -9.448 1.890 1.00 74.43 O ATOM 0 H ASP A 3 18.442 -11.607 3.001 1.00 55.44 H new ATOM 0 HA ASP A 3 18.712 -8.812 3.761 1.00 24.10 H new ATOM 0 HB2 ASP A 3 19.616 -9.957 1.127 1.00 70.22 H new ATOM 0 HB3 ASP A 3 19.112 -8.291 1.329 1.00 70.22 H new ATOM 39 N SER A 4 16.309 -8.943 3.007 1.00 45.12 N ATOM 40 CA SER A 4 14.944 -8.976 2.579 1.00 64.24 C ATOM 41 C SER A 4 14.850 -8.041 1.372 1.00 11.42 C ATOM 42 O SER A 4 14.501 -6.898 1.494 1.00 64.12 O ATOM 43 CB SER A 4 14.055 -8.529 3.760 1.00 55.21 C ATOM 44 OG SER A 4 12.731 -9.029 3.661 1.00 24.32 O ATOM 0 H SER A 4 16.495 -8.296 3.774 1.00 45.12 H new ATOM 0 HA SER A 4 14.604 -9.968 2.284 1.00 64.24 H new ATOM 0 HB2 SER A 4 14.500 -8.869 4.695 1.00 55.21 H new ATOM 0 HB3 SER A 4 14.027 -7.440 3.798 1.00 55.21 H new ATOM 0 HG SER A 4 12.207 -8.722 4.430 1.00 24.32 H new ATOM 50 N VAL A 5 15.250 -8.560 0.219 1.00 61.44 N ATOM 51 CA VAL A 5 15.472 -7.790 -0.997 1.00 31.23 C ATOM 52 C VAL A 5 14.247 -6.994 -1.465 1.00 72.22 C ATOM 53 O VAL A 5 14.297 -5.764 -1.565 1.00 31.31 O ATOM 54 CB VAL A 5 15.974 -8.699 -2.140 1.00 72.24 C ATOM 55 CG1 VAL A 5 16.351 -7.870 -3.333 1.00 14.30 C ATOM 56 CG2 VAL A 5 17.156 -9.551 -1.689 1.00 3.33 C ATOM 0 H VAL A 5 15.434 -9.556 0.101 1.00 61.44 H new ATOM 0 HA VAL A 5 16.238 -7.058 -0.740 1.00 31.23 H new ATOM 0 HB VAL A 5 15.163 -9.372 -2.419 1.00 72.24 H new ATOM 0 HG11 VAL A 5 16.703 -8.522 -4.132 1.00 14.30 H new ATOM 0 HG12 VAL A 5 15.481 -7.311 -3.677 1.00 14.30 H new ATOM 0 HG13 VAL A 5 17.143 -7.174 -3.057 1.00 14.30 H new ATOM 0 HG21 VAL A 5 17.487 -10.180 -2.515 1.00 3.33 H new ATOM 0 HG22 VAL A 5 17.974 -8.902 -1.377 1.00 3.33 H new ATOM 0 HG23 VAL A 5 16.853 -10.180 -0.852 1.00 3.33 H new ATOM 66 N GLU A 6 13.167 -7.685 -1.726 1.00 64.13 N ATOM 67 CA GLU A 6 11.944 -7.066 -2.231 1.00 51.34 C ATOM 68 C GLU A 6 11.342 -6.172 -1.174 1.00 4.04 C ATOM 69 O GLU A 6 10.761 -5.124 -1.470 1.00 3.25 O ATOM 70 CB GLU A 6 10.955 -8.142 -2.655 1.00 10.03 C ATOM 71 CG GLU A 6 11.487 -9.035 -3.755 1.00 32.30 C ATOM 72 CD GLU A 6 11.720 -8.273 -5.023 1.00 52.42 C ATOM 73 OE1 GLU A 6 10.763 -8.101 -5.795 1.00 12.14 O ATOM 74 OE2 GLU A 6 12.848 -7.810 -5.264 1.00 45.22 O ATOM 0 H GLU A 6 13.099 -8.695 -1.598 1.00 64.13 H new ATOM 0 HA GLU A 6 12.184 -6.455 -3.101 1.00 51.34 H new ATOM 0 HB2 GLU A 6 10.699 -8.754 -1.790 1.00 10.03 H new ATOM 0 HB3 GLU A 6 10.034 -7.668 -2.993 1.00 10.03 H new ATOM 0 HG2 GLU A 6 12.420 -9.496 -3.431 1.00 32.30 H new ATOM 0 HG3 GLU A 6 10.780 -9.844 -3.941 1.00 32.30 H new ATOM 81 N PHE A 7 11.523 -6.570 0.055 1.00 75.34 N ATOM 82 CA PHE A 7 11.093 -5.817 1.183 1.00 15.43 C ATOM 83 C PHE A 7 11.913 -4.547 1.264 1.00 3.24 C ATOM 84 O PHE A 7 11.374 -3.514 1.433 1.00 5.21 O ATOM 85 CB PHE A 7 11.239 -6.687 2.412 1.00 42.23 C ATOM 86 CG PHE A 7 10.724 -6.131 3.698 1.00 55.43 C ATOM 87 CD1 PHE A 7 9.368 -6.025 3.913 1.00 33.04 C ATOM 88 CD2 PHE A 7 11.594 -5.748 4.698 1.00 62.34 C ATOM 89 CE1 PHE A 7 8.876 -5.538 5.110 1.00 74.01 C ATOM 90 CE2 PHE A 7 11.117 -5.264 5.902 1.00 14.35 C ATOM 91 CZ PHE A 7 9.754 -5.157 6.110 1.00 32.12 C ATOM 0 H PHE A 7 11.984 -7.447 0.297 1.00 75.34 H new ATOM 0 HA PHE A 7 10.047 -5.522 1.102 1.00 15.43 H new ATOM 0 HB2 PHE A 7 10.728 -7.631 2.222 1.00 42.23 H new ATOM 0 HB3 PHE A 7 12.297 -6.917 2.541 1.00 42.23 H new ATOM 0 HD1 PHE A 7 8.680 -6.326 3.137 1.00 33.04 H new ATOM 0 HD2 PHE A 7 12.659 -5.827 4.539 1.00 62.34 H new ATOM 0 HE1 PHE A 7 7.810 -5.455 5.264 1.00 74.01 H new ATOM 0 HE2 PHE A 7 11.808 -4.970 6.679 1.00 14.35 H new ATOM 0 HZ PHE A 7 9.376 -4.778 7.048 1.00 32.12 H new ATOM 101 N ASN A 8 13.212 -4.647 1.059 1.00 2.13 N ATOM 102 CA ASN A 8 14.117 -3.480 1.042 1.00 30.22 C ATOM 103 C ASN A 8 13.769 -2.528 -0.086 1.00 41.43 C ATOM 104 O ASN A 8 13.795 -1.297 0.093 1.00 21.23 O ATOM 105 CB ASN A 8 15.597 -3.904 0.963 1.00 73.42 C ATOM 106 CG ASN A 8 16.143 -4.392 2.292 1.00 24.31 C ATOM 107 OD1 ASN A 8 15.727 -3.920 3.357 1.00 74.20 O ATOM 108 ND2 ASN A 8 17.063 -5.320 2.257 1.00 23.42 N ATOM 0 H ASN A 8 13.685 -5.536 0.898 1.00 2.13 H new ATOM 0 HA ASN A 8 13.975 -2.953 1.986 1.00 30.22 H new ATOM 0 HB2 ASN A 8 15.704 -4.694 0.220 1.00 73.42 H new ATOM 0 HB3 ASN A 8 16.194 -3.059 0.619 1.00 73.42 H new ATOM 0 HD21 ASN A 8 17.461 -5.677 3.126 1.00 23.42 H new ATOM 0 HD22 ASN A 8 17.383 -5.687 1.361 1.00 23.42 H new ATOM 115 N ASN A 9 13.433 -3.086 -1.243 1.00 61.52 N ATOM 116 CA ASN A 9 12.939 -2.289 -2.373 1.00 71.43 C ATOM 117 C ASN A 9 11.680 -1.549 -1.949 1.00 20.11 C ATOM 118 O ASN A 9 11.511 -0.358 -2.219 1.00 20.33 O ATOM 119 CB ASN A 9 12.629 -3.168 -3.610 1.00 41.00 C ATOM 120 CG ASN A 9 13.860 -3.667 -4.363 1.00 71.12 C ATOM 121 OD1 ASN A 9 14.905 -3.005 -4.401 1.00 61.33 O ATOM 122 ND2 ASN A 9 13.744 -4.815 -4.984 1.00 63.31 N ATOM 0 H ASN A 9 13.492 -4.087 -1.429 1.00 61.52 H new ATOM 0 HA ASN A 9 13.721 -1.584 -2.655 1.00 71.43 H new ATOM 0 HB2 ASN A 9 12.042 -4.029 -3.289 1.00 41.00 H new ATOM 0 HB3 ASN A 9 12.006 -2.596 -4.298 1.00 41.00 H new ATOM 0 HD21 ASN A 9 14.529 -5.187 -5.518 1.00 63.31 H new ATOM 0 HD22 ASN A 9 12.869 -5.336 -4.933 1.00 63.31 H new ATOM 129 N ALA A 10 10.830 -2.259 -1.228 1.00 34.43 N ATOM 130 CA ALA A 10 9.595 -1.720 -0.705 1.00 61.14 C ATOM 131 C ALA A 10 9.872 -0.665 0.362 1.00 63.02 C ATOM 132 O ALA A 10 9.236 0.377 0.378 1.00 52.21 O ATOM 133 CB ALA A 10 8.742 -2.837 -0.127 1.00 23.12 C ATOM 0 H ALA A 10 10.984 -3.238 -0.988 1.00 34.43 H new ATOM 0 HA ALA A 10 9.054 -1.245 -1.523 1.00 61.14 H new ATOM 0 HB1 ALA A 10 7.814 -2.421 0.264 1.00 23.12 H new ATOM 0 HB2 ALA A 10 8.513 -3.562 -0.908 1.00 23.12 H new ATOM 0 HB3 ALA A 10 9.286 -3.331 0.678 1.00 23.12 H new ATOM 139 N ILE A 11 10.840 -0.934 1.237 1.00 0.43 N ATOM 140 CA ILE A 11 11.192 -0.020 2.321 1.00 1.14 C ATOM 141 C ILE A 11 11.652 1.294 1.769 1.00 50.42 C ATOM 142 O ILE A 11 11.292 2.330 2.270 1.00 41.33 O ATOM 143 CB ILE A 11 12.303 -0.549 3.260 1.00 21.21 C ATOM 144 CG1 ILE A 11 11.970 -1.931 3.804 1.00 42.11 C ATOM 145 CG2 ILE A 11 12.539 0.424 4.409 1.00 63.12 C ATOM 146 CD1 ILE A 11 10.539 -2.140 4.258 1.00 2.41 C ATOM 0 H ILE A 11 11.399 -1.787 1.215 1.00 0.43 H new ATOM 0 HA ILE A 11 10.279 0.085 2.908 1.00 1.14 H new ATOM 0 HB ILE A 11 13.216 -0.633 2.671 1.00 21.21 H new ATOM 0 HG12 ILE A 11 12.197 -2.667 3.033 1.00 42.11 H new ATOM 0 HG13 ILE A 11 12.631 -2.137 4.646 1.00 42.11 H new ATOM 0 HG21 ILE A 11 13.323 0.036 5.059 1.00 63.12 H new ATOM 0 HG22 ILE A 11 12.844 1.391 4.010 1.00 63.12 H new ATOM 0 HG23 ILE A 11 11.619 0.542 4.981 1.00 63.12 H new ATOM 0 HD11 ILE A 11 10.419 -3.159 4.625 1.00 2.41 H new ATOM 0 HD12 ILE A 11 10.304 -1.436 5.057 1.00 2.41 H new ATOM 0 HD13 ILE A 11 9.863 -1.975 3.419 1.00 2.41 H new ATOM 158 N SER A 12 12.427 1.235 0.715 1.00 65.21 N ATOM 159 CA SER A 12 12.930 2.423 0.067 1.00 62.30 C ATOM 160 C SER A 12 11.756 3.297 -0.440 1.00 2.21 C ATOM 161 O SER A 12 11.801 4.525 -0.374 1.00 44.30 O ATOM 162 CB SER A 12 13.867 2.006 -1.056 1.00 11.52 C ATOM 163 OG SER A 12 14.911 1.158 -0.543 1.00 4.33 O ATOM 0 H SER A 12 12.728 0.362 0.281 1.00 65.21 H new ATOM 0 HA SER A 12 13.492 3.034 0.774 1.00 62.30 H new ATOM 0 HB2 SER A 12 13.308 1.479 -1.829 1.00 11.52 H new ATOM 0 HB3 SER A 12 14.302 2.889 -1.523 1.00 11.52 H new ATOM 0 HG SER A 12 14.554 0.259 -0.385 1.00 4.33 H new ATOM 169 N TYR A 13 10.690 2.641 -0.877 1.00 74.52 N ATOM 170 CA TYR A 13 9.474 3.321 -1.275 1.00 65.30 C ATOM 171 C TYR A 13 8.716 3.845 -0.062 1.00 74.42 C ATOM 172 O TYR A 13 8.243 4.975 -0.065 1.00 72.22 O ATOM 173 CB TYR A 13 8.585 2.412 -2.135 1.00 72.14 C ATOM 174 CG TYR A 13 8.930 2.453 -3.601 1.00 24.11 C ATOM 175 CD1 TYR A 13 10.136 1.965 -4.086 1.00 25.14 C ATOM 176 CD2 TYR A 13 8.044 3.016 -4.499 1.00 43.23 C ATOM 177 CE1 TYR A 13 10.442 2.050 -5.430 1.00 3.43 C ATOM 178 CE2 TYR A 13 8.334 3.095 -5.834 1.00 41.21 C ATOM 179 CZ TYR A 13 9.535 2.617 -6.298 1.00 52.52 C ATOM 180 OH TYR A 13 9.836 2.731 -7.628 1.00 31.01 O ATOM 0 H TYR A 13 10.648 1.626 -0.964 1.00 74.52 H new ATOM 0 HA TYR A 13 9.758 4.178 -1.885 1.00 65.30 H new ATOM 0 HB2 TYR A 13 8.673 1.386 -1.777 1.00 72.14 H new ATOM 0 HB3 TYR A 13 7.544 2.707 -2.006 1.00 72.14 H new ATOM 0 HD1 TYR A 13 10.842 1.514 -3.405 1.00 25.14 H new ATOM 0 HD2 TYR A 13 7.102 3.402 -4.140 1.00 43.23 H new ATOM 0 HE1 TYR A 13 11.386 1.675 -5.798 1.00 3.43 H new ATOM 0 HE2 TYR A 13 7.622 3.531 -6.519 1.00 41.21 H new ATOM 0 HH TYR A 13 9.749 3.667 -7.904 1.00 31.01 H new ATOM 190 N VAL A 14 8.640 3.040 0.979 1.00 74.34 N ATOM 191 CA VAL A 14 7.960 3.429 2.206 1.00 40.24 C ATOM 192 C VAL A 14 8.670 4.600 2.886 1.00 51.43 C ATOM 193 O VAL A 14 8.029 5.547 3.322 1.00 40.00 O ATOM 194 CB VAL A 14 7.811 2.253 3.204 1.00 73.23 C ATOM 195 CG1 VAL A 14 7.173 2.742 4.489 1.00 50.11 C ATOM 196 CG2 VAL A 14 6.975 1.135 2.596 1.00 10.21 C ATOM 0 H VAL A 14 9.044 2.104 1.002 1.00 74.34 H new ATOM 0 HA VAL A 14 6.958 3.741 1.911 1.00 40.24 H new ATOM 0 HB VAL A 14 8.803 1.859 3.426 1.00 73.23 H new ATOM 0 HG11 VAL A 14 7.072 1.909 5.185 1.00 50.11 H new ATOM 0 HG12 VAL A 14 7.800 3.514 4.936 1.00 50.11 H new ATOM 0 HG13 VAL A 14 6.188 3.155 4.272 1.00 50.11 H new ATOM 0 HG21 VAL A 14 6.882 0.319 3.313 1.00 10.21 H new ATOM 0 HG22 VAL A 14 5.984 1.515 2.349 1.00 10.21 H new ATOM 0 HG23 VAL A 14 7.460 0.769 1.691 1.00 10.21 H new ATOM 206 N ASN A 15 9.991 4.535 2.952 1.00 11.45 N ATOM 207 CA ASN A 15 10.810 5.566 3.514 1.00 24.23 C ATOM 208 C ASN A 15 10.596 6.855 2.746 1.00 11.54 C ATOM 209 O ASN A 15 10.549 7.953 3.322 1.00 21.32 O ATOM 210 CB ASN A 15 12.243 5.148 3.351 1.00 31.51 C ATOM 211 CG ASN A 15 13.212 6.126 3.910 1.00 72.22 C ATOM 212 OD1 ASN A 15 12.963 6.800 4.925 1.00 21.50 O ATOM 213 ND2 ASN A 15 14.299 6.250 3.251 1.00 64.00 N ATOM 0 H ASN A 15 10.524 3.738 2.604 1.00 11.45 H new ATOM 0 HA ASN A 15 10.559 5.720 4.563 1.00 24.23 H new ATOM 0 HB2 ASN A 15 12.390 4.184 3.838 1.00 31.51 H new ATOM 0 HB3 ASN A 15 12.453 5.005 2.291 1.00 31.51 H new ATOM 0 HD21 ASN A 15 15.004 6.923 3.552 1.00 64.00 H new ATOM 0 HD22 ASN A 15 14.462 5.676 2.424 1.00 64.00 H new ATOM 220 N LYS A 16 10.456 6.709 1.442 1.00 21.34 N ATOM 221 CA LYS A 16 10.209 7.804 0.571 1.00 44.13 C ATOM 222 C LYS A 16 8.853 8.420 0.907 1.00 4.21 C ATOM 223 O LYS A 16 8.742 9.624 1.000 1.00 21.11 O ATOM 224 CB LYS A 16 10.278 7.328 -0.868 1.00 63.34 C ATOM 225 CG LYS A 16 10.241 8.401 -1.885 1.00 62.11 C ATOM 226 CD LYS A 16 10.457 7.799 -3.241 1.00 21.34 C ATOM 227 CE LYS A 16 10.531 8.852 -4.306 1.00 74.13 C ATOM 228 NZ LYS A 16 11.706 9.733 -4.132 1.00 75.23 N ATOM 0 H LYS A 16 10.514 5.808 0.968 1.00 21.34 H new ATOM 0 HA LYS A 16 10.967 8.576 0.702 1.00 44.13 H new ATOM 0 HB2 LYS A 16 11.195 6.754 -1.001 1.00 63.34 H new ATOM 0 HB3 LYS A 16 9.446 6.647 -1.050 1.00 63.34 H new ATOM 0 HG2 LYS A 16 9.282 8.918 -1.851 1.00 62.11 H new ATOM 0 HG3 LYS A 16 11.011 9.144 -1.676 1.00 62.11 H new ATOM 0 HD2 LYS A 16 11.379 7.217 -3.239 1.00 21.34 H new ATOM 0 HD3 LYS A 16 9.645 7.108 -3.467 1.00 21.34 H new ATOM 0 HE2 LYS A 16 10.577 8.375 -5.285 1.00 74.13 H new ATOM 0 HE3 LYS A 16 9.621 9.452 -4.286 1.00 74.13 H new ATOM 0 HZ1 LYS A 16 11.877 10.261 -5.012 1.00 75.23 H new ATOM 0 HZ2 LYS A 16 11.527 10.402 -3.356 1.00 75.23 H new ATOM 0 HZ3 LYS A 16 12.542 9.157 -3.906 1.00 75.23 H new ATOM 242 N ILE A 17 7.843 7.576 1.138 1.00 64.11 N ATOM 243 CA ILE A 17 6.532 8.024 1.566 1.00 74.44 C ATOM 244 C ILE A 17 6.664 8.771 2.895 1.00 53.14 C ATOM 245 O ILE A 17 6.172 9.896 3.040 1.00 52.51 O ATOM 246 CB ILE A 17 5.562 6.826 1.769 1.00 32.44 C ATOM 247 CG1 ILE A 17 5.340 6.059 0.465 1.00 61.30 C ATOM 248 CG2 ILE A 17 4.245 7.317 2.317 1.00 24.41 C ATOM 249 CD1 ILE A 17 4.486 4.812 0.617 1.00 44.00 C ATOM 0 H ILE A 17 7.920 6.565 1.031 1.00 64.11 H new ATOM 0 HA ILE A 17 6.128 8.675 0.791 1.00 74.44 H new ATOM 0 HB ILE A 17 6.017 6.141 2.484 1.00 32.44 H new ATOM 0 HG12 ILE A 17 4.868 6.723 -0.259 1.00 61.30 H new ATOM 0 HG13 ILE A 17 6.309 5.775 0.053 1.00 61.30 H new ATOM 0 HG21 ILE A 17 3.571 6.472 2.456 1.00 24.41 H new ATOM 0 HG22 ILE A 17 4.411 7.811 3.275 1.00 24.41 H new ATOM 0 HG23 ILE A 17 3.800 8.024 1.617 1.00 24.41 H new ATOM 0 HD11 ILE A 17 4.376 4.326 -0.352 1.00 44.00 H new ATOM 0 HD12 ILE A 17 4.965 4.126 1.315 1.00 44.00 H new ATOM 0 HD13 ILE A 17 3.503 5.089 0.998 1.00 44.00 H new ATOM 261 N LYS A 18 7.372 8.145 3.841 1.00 52.01 N ATOM 262 CA LYS A 18 7.598 8.712 5.160 1.00 41.33 C ATOM 263 C LYS A 18 8.189 10.106 5.058 1.00 52.51 C ATOM 264 O LYS A 18 7.748 10.996 5.732 1.00 71.25 O ATOM 265 CB LYS A 18 8.544 7.843 6.013 1.00 3.42 C ATOM 266 CG LYS A 18 7.994 6.544 6.457 1.00 15.03 C ATOM 267 CD LYS A 18 8.966 5.842 7.370 1.00 72.11 C ATOM 268 CE LYS A 18 8.460 4.479 7.695 1.00 54.44 C ATOM 269 NZ LYS A 18 9.335 3.753 8.634 1.00 44.32 N ATOM 0 H LYS A 18 7.802 7.230 3.706 1.00 52.01 H new ATOM 0 HA LYS A 18 6.623 8.752 5.645 1.00 41.33 H new ATOM 0 HB2 LYS A 18 9.452 7.656 5.439 1.00 3.42 H new ATOM 0 HB3 LYS A 18 8.836 8.414 6.895 1.00 3.42 H new ATOM 0 HG2 LYS A 18 7.048 6.701 6.975 1.00 15.03 H new ATOM 0 HG3 LYS A 18 7.782 5.917 5.591 1.00 15.03 H new ATOM 0 HD2 LYS A 18 9.943 5.773 6.892 1.00 72.11 H new ATOM 0 HD3 LYS A 18 9.100 6.418 8.286 1.00 72.11 H new ATOM 0 HE2 LYS A 18 7.462 4.560 8.125 1.00 54.44 H new ATOM 0 HE3 LYS A 18 8.365 3.903 6.775 1.00 54.44 H new ATOM 0 HZ1 LYS A 18 8.935 2.812 8.824 1.00 44.32 H new ATOM 0 HZ2 LYS A 18 10.282 3.649 8.216 1.00 44.32 H new ATOM 0 HZ3 LYS A 18 9.406 4.286 9.524 1.00 44.32 H new ATOM 283 N THR A 19 9.168 10.256 4.196 1.00 0.02 N ATOM 284 CA THR A 19 9.873 11.475 3.956 1.00 42.54 C ATOM 285 C THR A 19 9.032 12.512 3.166 1.00 32.52 C ATOM 286 O THR A 19 8.965 13.679 3.532 1.00 61.21 O ATOM 287 CB THR A 19 11.140 11.096 3.176 1.00 11.32 C ATOM 288 OG1 THR A 19 12.072 10.404 4.013 1.00 40.42 O ATOM 289 CG2 THR A 19 11.769 12.256 2.464 1.00 30.11 C ATOM 0 H THR A 19 9.505 9.486 3.618 1.00 0.02 H new ATOM 0 HA THR A 19 10.108 11.957 4.905 1.00 42.54 H new ATOM 0 HB THR A 19 10.827 10.411 2.388 1.00 11.32 H new ATOM 0 HG1 THR A 19 11.861 9.447 4.016 1.00 40.42 H new ATOM 0 HG21 THR A 19 12.659 11.918 1.933 1.00 30.11 H new ATOM 0 HG22 THR A 19 11.058 12.674 1.751 1.00 30.11 H new ATOM 0 HG23 THR A 19 12.047 13.020 3.189 1.00 30.11 H new ATOM 297 N ARG A 20 8.400 12.081 2.113 1.00 54.32 N ATOM 298 CA ARG A 20 7.647 12.970 1.239 1.00 15.35 C ATOM 299 C ARG A 20 6.419 13.532 1.913 1.00 73.44 C ATOM 300 O ARG A 20 5.907 14.596 1.548 1.00 54.32 O ATOM 301 CB ARG A 20 7.319 12.241 -0.042 1.00 64.43 C ATOM 302 CG ARG A 20 8.522 12.094 -0.982 1.00 3.55 C ATOM 303 CD ARG A 20 8.770 13.323 -1.876 1.00 52.13 C ATOM 304 NE ARG A 20 9.108 14.580 -1.163 1.00 34.43 N ATOM 305 CZ ARG A 20 9.505 15.713 -1.776 1.00 70.41 C ATOM 306 NH1 ARG A 20 9.650 15.753 -3.097 1.00 20.24 N ATOM 307 NH2 ARG A 20 9.750 16.801 -1.066 1.00 50.54 N ATOM 0 H ARG A 20 8.385 11.103 1.825 1.00 54.32 H new ATOM 0 HA ARG A 20 8.264 13.836 1.001 1.00 15.35 H new ATOM 0 HB2 ARG A 20 6.933 11.251 0.200 1.00 64.43 H new ATOM 0 HB3 ARG A 20 6.524 12.775 -0.562 1.00 64.43 H new ATOM 0 HG2 ARG A 20 9.415 11.904 -0.386 1.00 3.55 H new ATOM 0 HG3 ARG A 20 8.370 11.220 -1.616 1.00 3.55 H new ATOM 0 HD2 ARG A 20 9.580 13.089 -2.566 1.00 52.13 H new ATOM 0 HD3 ARG A 20 7.878 13.497 -2.478 1.00 52.13 H new ATOM 0 HE ARG A 20 9.035 14.587 -0.146 1.00 34.43 H new ATOM 0 HH11 ARG A 20 9.460 14.921 -3.656 1.00 20.24 H new ATOM 0 HH12 ARG A 20 9.951 16.615 -3.551 1.00 20.24 H new ATOM 0 HH21 ARG A 20 9.639 16.784 -0.052 1.00 50.54 H new ATOM 0 HH22 ARG A 20 10.050 17.657 -1.532 1.00 50.54 H new ATOM 321 N PHE A 21 5.977 12.842 2.900 1.00 33.04 N ATOM 322 CA PHE A 21 4.851 13.242 3.668 1.00 55.52 C ATOM 323 C PHE A 21 5.281 13.284 5.126 1.00 10.23 C ATOM 324 O PHE A 21 4.502 13.031 6.027 1.00 13.22 O ATOM 325 CB PHE A 21 3.725 12.236 3.446 1.00 13.12 C ATOM 326 CG PHE A 21 3.331 12.082 1.990 1.00 3.31 C ATOM 327 CD1 PHE A 21 2.352 12.880 1.437 1.00 63.24 C ATOM 328 CD2 PHE A 21 3.939 11.130 1.185 1.00 23.10 C ATOM 329 CE1 PHE A 21 1.978 12.730 0.120 1.00 4.15 C ATOM 330 CE2 PHE A 21 3.579 10.976 -0.124 1.00 33.31 C ATOM 331 CZ PHE A 21 2.589 11.776 -0.661 1.00 54.14 C ATOM 0 H PHE A 21 6.396 11.963 3.205 1.00 33.04 H new ATOM 0 HA PHE A 21 4.487 14.226 3.374 1.00 55.52 H new ATOM 0 HB2 PHE A 21 4.033 11.266 3.836 1.00 13.12 H new ATOM 0 HB3 PHE A 21 2.852 12.547 4.020 1.00 13.12 H new ATOM 0 HD1 PHE A 21 1.872 13.633 2.045 1.00 63.24 H new ATOM 0 HD2 PHE A 21 4.711 10.499 1.600 1.00 23.10 H new ATOM 0 HE1 PHE A 21 1.207 13.360 -0.299 1.00 4.15 H new ATOM 0 HE2 PHE A 21 4.066 10.232 -0.736 1.00 33.31 H new ATOM 0 HZ PHE A 21 2.295 11.653 -1.693 1.00 54.14 H new ATOM 341 N LEU A 22 6.538 13.664 5.338 1.00 52.44 N ATOM 342 CA LEU A 22 7.162 13.700 6.656 1.00 43.44 C ATOM 343 C LEU A 22 6.513 14.752 7.527 1.00 30.32 C ATOM 344 O LEU A 22 6.383 14.586 8.739 1.00 44.33 O ATOM 345 CB LEU A 22 8.666 13.982 6.503 1.00 45.32 C ATOM 346 CG LEU A 22 9.635 13.004 7.136 1.00 31.43 C ATOM 347 CD1 LEU A 22 11.072 13.428 6.907 1.00 1.02 C ATOM 348 CD2 LEU A 22 9.360 12.873 8.573 1.00 32.32 C ATOM 0 H LEU A 22 7.161 13.960 4.587 1.00 52.44 H new ATOM 0 HA LEU A 22 7.025 12.733 7.139 1.00 43.44 H new ATOM 0 HB2 LEU A 22 8.891 14.034 5.438 1.00 45.32 H new ATOM 0 HB3 LEU A 22 8.866 14.969 6.920 1.00 45.32 H new ATOM 0 HG LEU A 22 9.494 12.033 6.661 1.00 31.43 H new ATOM 0 HD11 LEU A 22 11.743 12.706 7.373 1.00 1.02 H new ATOM 0 HD12 LEU A 22 11.272 13.471 5.836 1.00 1.02 H new ATOM 0 HD13 LEU A 22 11.236 14.412 7.347 1.00 1.02 H new ATOM 0 HD21 LEU A 22 10.063 12.167 9.015 1.00 32.32 H new ATOM 0 HD22 LEU A 22 9.470 13.845 9.055 1.00 32.32 H new ATOM 0 HD23 LEU A 22 8.343 12.509 8.717 1.00 32.32 H new ATOM 360 N ASP A 23 6.079 15.809 6.896 1.00 34.25 N ATOM 361 CA ASP A 23 5.444 16.911 7.593 1.00 52.24 C ATOM 362 C ASP A 23 3.928 16.663 7.680 1.00 55.52 C ATOM 363 O ASP A 23 3.187 17.407 8.326 1.00 63.33 O ATOM 364 CB ASP A 23 5.752 18.227 6.846 1.00 45.23 C ATOM 365 CG ASP A 23 5.334 19.479 7.591 1.00 70.10 C ATOM 366 OD1 ASP A 23 6.069 19.921 8.504 1.00 45.24 O ATOM 367 OD2 ASP A 23 4.299 20.076 7.260 1.00 20.33 O ATOM 0 H ASP A 23 6.152 15.937 5.887 1.00 34.25 H new ATOM 0 HA ASP A 23 5.833 16.988 8.608 1.00 52.24 H new ATOM 0 HB2 ASP A 23 6.823 18.277 6.648 1.00 45.23 H new ATOM 0 HB3 ASP A 23 5.249 18.209 5.879 1.00 45.23 H new ATOM 372 N HIS A 24 3.482 15.566 7.079 1.00 24.22 N ATOM 373 CA HIS A 24 2.070 15.236 7.006 1.00 21.33 C ATOM 374 C HIS A 24 1.835 13.819 7.565 1.00 5.45 C ATOM 375 O HIS A 24 1.645 12.867 6.795 1.00 33.12 O ATOM 376 CB HIS A 24 1.604 15.264 5.545 1.00 63.42 C ATOM 377 CG HIS A 24 1.922 16.494 4.778 1.00 43.23 C ATOM 378 ND1 HIS A 24 1.532 17.765 5.118 1.00 22.21 N ATOM 379 CD2 HIS A 24 2.636 16.609 3.665 1.00 75.31 C ATOM 380 CE1 HIS A 24 2.025 18.600 4.207 1.00 60.45 C ATOM 381 NE2 HIS A 24 2.714 17.942 3.292 1.00 63.33 N ATOM 0 H HIS A 24 4.092 14.883 6.630 1.00 24.22 H new ATOM 0 HA HIS A 24 1.511 15.966 7.591 1.00 21.33 H new ATOM 0 HB2 HIS A 24 2.048 14.414 5.028 1.00 63.42 H new ATOM 0 HB3 HIS A 24 0.524 15.119 5.527 1.00 63.42 H new ATOM 0 HD2 HIS A 24 3.088 15.787 3.130 1.00 75.31 H new ATOM 0 HE1 HIS A 24 1.881 19.670 4.215 1.00 60.45 H new ATOM 0 HE2 HIS A 24 3.200 18.331 2.484 1.00 63.33 H new ATOM 389 N PRO A 25 1.840 13.645 8.902 1.00 2.02 N ATOM 390 CA PRO A 25 1.745 12.314 9.525 1.00 52.23 C ATOM 391 C PRO A 25 0.420 11.598 9.238 1.00 22.12 C ATOM 392 O PRO A 25 0.379 10.367 9.120 1.00 73.42 O ATOM 393 CB PRO A 25 1.888 12.603 11.024 1.00 20.04 C ATOM 394 CG PRO A 25 1.510 14.036 11.181 1.00 60.50 C ATOM 395 CD PRO A 25 1.940 14.717 9.916 1.00 24.23 C ATOM 0 HA PRO A 25 2.506 11.641 9.129 1.00 52.23 H new ATOM 0 HB2 PRO A 25 1.238 11.957 11.614 1.00 20.04 H new ATOM 0 HB3 PRO A 25 2.908 12.425 11.364 1.00 20.04 H new ATOM 0 HG2 PRO A 25 0.436 14.142 11.336 1.00 60.50 H new ATOM 0 HG3 PRO A 25 2.002 14.477 12.048 1.00 60.50 H new ATOM 0 HD2 PRO A 25 1.294 15.561 9.674 1.00 24.23 H new ATOM 0 HD3 PRO A 25 2.956 15.105 9.993 1.00 24.23 H new ATOM 403 N GLU A 26 -0.646 12.374 9.085 1.00 33.43 N ATOM 404 CA GLU A 26 -1.981 11.846 8.866 1.00 31.04 C ATOM 405 C GLU A 26 -2.054 11.018 7.582 1.00 71.12 C ATOM 406 O GLU A 26 -2.713 9.999 7.545 1.00 64.42 O ATOM 407 CB GLU A 26 -2.980 12.991 8.805 1.00 31.40 C ATOM 408 CG GLU A 26 -2.783 13.892 7.610 1.00 4.24 C ATOM 409 CD GLU A 26 -3.693 15.058 7.602 1.00 43.24 C ATOM 410 OE1 GLU A 26 -4.848 14.922 7.169 1.00 32.23 O ATOM 411 OE2 GLU A 26 -3.262 16.153 8.033 1.00 65.05 O ATOM 0 H GLU A 26 -0.605 13.393 9.110 1.00 33.43 H new ATOM 0 HA GLU A 26 -2.227 11.188 9.700 1.00 31.04 H new ATOM 0 HB2 GLU A 26 -3.990 12.582 8.780 1.00 31.40 H new ATOM 0 HB3 GLU A 26 -2.899 13.584 9.716 1.00 31.40 H new ATOM 0 HG2 GLU A 26 -1.752 14.244 7.595 1.00 4.24 H new ATOM 0 HG3 GLU A 26 -2.936 13.314 6.698 1.00 4.24 H new ATOM 418 N ILE A 27 -1.319 11.451 6.572 1.00 63.45 N ATOM 419 CA ILE A 27 -1.308 10.842 5.260 1.00 63.54 C ATOM 420 C ILE A 27 -0.803 9.421 5.330 1.00 21.13 C ATOM 421 O ILE A 27 -1.446 8.491 4.812 1.00 15.12 O ATOM 422 CB ILE A 27 -0.449 11.711 4.314 1.00 22.43 C ATOM 423 CG1 ILE A 27 -1.174 13.048 4.086 1.00 11.33 C ATOM 424 CG2 ILE A 27 -0.107 11.002 3.008 1.00 62.43 C ATOM 425 CD1 ILE A 27 -0.504 13.965 3.108 1.00 2.22 C ATOM 0 H ILE A 27 -0.698 12.257 6.647 1.00 63.45 H new ATOM 0 HA ILE A 27 -2.324 10.794 4.867 1.00 63.54 H new ATOM 0 HB ILE A 27 0.515 11.901 4.785 1.00 22.43 H new ATOM 0 HG12 ILE A 27 -2.186 12.842 3.736 1.00 11.33 H new ATOM 0 HG13 ILE A 27 -1.266 13.563 5.042 1.00 11.33 H new ATOM 0 HG21 ILE A 27 0.497 11.660 2.384 1.00 62.43 H new ATOM 0 HG22 ILE A 27 0.453 10.092 3.224 1.00 62.43 H new ATOM 0 HG23 ILE A 27 -1.026 10.746 2.481 1.00 62.43 H new ATOM 0 HD11 ILE A 27 -1.086 14.882 3.011 1.00 2.22 H new ATOM 0 HD12 ILE A 27 0.498 14.207 3.463 1.00 2.22 H new ATOM 0 HD13 ILE A 27 -0.436 13.474 2.137 1.00 2.22 H new ATOM 437 N TYR A 28 0.294 9.251 6.036 1.00 34.22 N ATOM 438 CA TYR A 28 0.913 7.961 6.217 1.00 32.53 C ATOM 439 C TYR A 28 -0.080 7.042 6.937 1.00 40.44 C ATOM 440 O TYR A 28 -0.337 5.918 6.519 1.00 21.50 O ATOM 441 CB TYR A 28 2.169 8.129 7.085 1.00 21.33 C ATOM 442 CG TYR A 28 3.072 6.919 7.123 1.00 10.40 C ATOM 443 CD1 TYR A 28 4.031 6.708 6.139 1.00 22.32 C ATOM 444 CD2 TYR A 28 2.954 5.978 8.129 1.00 23.14 C ATOM 445 CE1 TYR A 28 4.834 5.591 6.164 1.00 31.31 C ATOM 446 CE2 TYR A 28 3.756 4.859 8.159 1.00 31.13 C ATOM 447 CZ TYR A 28 4.689 4.667 7.177 1.00 53.23 C ATOM 448 OH TYR A 28 5.487 3.549 7.209 1.00 4.01 O ATOM 0 H TYR A 28 0.784 10.013 6.504 1.00 34.22 H new ATOM 0 HA TYR A 28 1.188 7.533 5.253 1.00 32.53 H new ATOM 0 HB2 TYR A 28 2.740 8.981 6.715 1.00 21.33 H new ATOM 0 HB3 TYR A 28 1.862 8.369 8.103 1.00 21.33 H new ATOM 0 HD1 TYR A 28 4.147 7.430 5.345 1.00 22.32 H new ATOM 0 HD2 TYR A 28 2.219 6.123 8.906 1.00 23.14 H new ATOM 0 HE1 TYR A 28 5.575 5.439 5.393 1.00 31.31 H new ATOM 0 HE2 TYR A 28 3.649 4.136 8.954 1.00 31.13 H new ATOM 0 HH TYR A 28 5.255 3.003 7.989 1.00 4.01 H new ATOM 458 N ARG A 29 -0.685 7.588 7.971 1.00 50.01 N ATOM 459 CA ARG A 29 -1.587 6.858 8.842 1.00 12.22 C ATOM 460 C ARG A 29 -2.907 6.461 8.170 1.00 1.22 C ATOM 461 O ARG A 29 -3.389 5.332 8.358 1.00 22.20 O ATOM 462 CB ARG A 29 -1.833 7.657 10.088 1.00 14.32 C ATOM 463 CG ARG A 29 -0.587 7.816 10.920 1.00 72.31 C ATOM 464 CD ARG A 29 -0.750 8.933 11.889 1.00 33.43 C ATOM 465 NE ARG A 29 0.445 9.136 12.711 1.00 74.15 N ATOM 466 CZ ARG A 29 0.655 10.184 13.512 1.00 34.12 C ATOM 467 NH1 ARG A 29 -0.216 11.189 13.548 1.00 23.11 N ATOM 468 NH2 ARG A 29 1.744 10.239 14.261 1.00 2.51 N ATOM 0 H ARG A 29 -0.563 8.566 8.235 1.00 50.01 H new ATOM 0 HA ARG A 29 -1.099 5.917 9.094 1.00 12.22 H new ATOM 0 HB2 ARG A 29 -2.214 8.641 9.816 1.00 14.32 H new ATOM 0 HB3 ARG A 29 -2.605 7.169 10.683 1.00 14.32 H new ATOM 0 HG2 ARG A 29 -0.378 6.889 11.455 1.00 72.31 H new ATOM 0 HG3 ARG A 29 0.268 8.010 10.272 1.00 72.31 H new ATOM 0 HD2 ARG A 29 -0.975 9.851 11.347 1.00 33.43 H new ATOM 0 HD3 ARG A 29 -1.603 8.728 12.536 1.00 33.43 H new ATOM 0 HE ARG A 29 1.173 8.422 12.669 1.00 74.15 H new ATOM 0 HH11 ARG A 29 -1.050 11.162 12.962 1.00 23.11 H new ATOM 0 HH12 ARG A 29 -0.050 11.986 14.162 1.00 23.11 H new ATOM 0 HH21 ARG A 29 2.425 9.480 14.227 1.00 2.51 H new ATOM 0 HH22 ARG A 29 1.903 11.040 14.872 1.00 2.51 H new ATOM 482 N SER A 30 -3.492 7.367 7.396 1.00 3.42 N ATOM 483 CA SER A 30 -4.730 7.077 6.687 1.00 43.53 C ATOM 484 C SER A 30 -4.512 6.010 5.619 1.00 70.10 C ATOM 485 O SER A 30 -5.413 5.249 5.275 1.00 71.41 O ATOM 486 CB SER A 30 -5.343 8.363 6.112 1.00 22.31 C ATOM 487 OG SER A 30 -4.380 9.141 5.392 1.00 3.25 O ATOM 0 H SER A 30 -3.129 8.308 7.244 1.00 3.42 H new ATOM 0 HA SER A 30 -5.449 6.670 7.398 1.00 43.53 H new ATOM 0 HB2 SER A 30 -6.170 8.106 5.450 1.00 22.31 H new ATOM 0 HB3 SER A 30 -5.759 8.961 6.923 1.00 22.31 H new ATOM 0 HG SER A 30 -3.802 9.614 6.026 1.00 3.25 H new ATOM 493 N PHE A 31 -3.315 5.972 5.093 1.00 2.45 N ATOM 494 CA PHE A 31 -2.936 4.955 4.157 1.00 23.30 C ATOM 495 C PHE A 31 -2.701 3.598 4.847 1.00 41.21 C ATOM 496 O PHE A 31 -3.074 2.550 4.307 1.00 71.44 O ATOM 497 CB PHE A 31 -1.718 5.399 3.359 1.00 61.23 C ATOM 498 CG PHE A 31 -0.970 4.255 2.761 1.00 10.11 C ATOM 499 CD1 PHE A 31 -1.431 3.637 1.622 1.00 10.12 C ATOM 500 CD2 PHE A 31 0.173 3.774 3.376 1.00 4.01 C ATOM 501 CE1 PHE A 31 -0.767 2.555 1.093 1.00 41.40 C ATOM 502 CE2 PHE A 31 0.847 2.691 2.861 1.00 54.41 C ATOM 503 CZ PHE A 31 0.378 2.077 1.712 1.00 31.22 C ATOM 0 H PHE A 31 -2.579 6.646 5.304 1.00 2.45 H new ATOM 0 HA PHE A 31 -3.764 4.810 3.463 1.00 23.30 H new ATOM 0 HB2 PHE A 31 -2.036 6.074 2.565 1.00 61.23 H new ATOM 0 HB3 PHE A 31 -1.050 5.964 4.009 1.00 61.23 H new ATOM 0 HD1 PHE A 31 -2.324 4.005 1.138 1.00 10.12 H new ATOM 0 HD2 PHE A 31 0.540 4.255 4.271 1.00 4.01 H new ATOM 0 HE1 PHE A 31 -1.137 2.078 0.197 1.00 41.40 H new ATOM 0 HE2 PHE A 31 1.736 2.322 3.350 1.00 54.41 H new ATOM 0 HZ PHE A 31 0.903 1.228 1.299 1.00 31.22 H new ATOM 513 N LEU A 32 -2.093 3.625 6.030 1.00 65.52 N ATOM 514 CA LEU A 32 -1.766 2.420 6.796 1.00 41.42 C ATOM 515 C LEU A 32 -2.960 1.520 7.002 1.00 71.21 C ATOM 516 O LEU A 32 -2.831 0.291 7.013 1.00 23.25 O ATOM 517 CB LEU A 32 -1.184 2.804 8.149 1.00 72.24 C ATOM 518 CG LEU A 32 0.203 3.406 8.152 1.00 54.51 C ATOM 519 CD1 LEU A 32 0.599 3.724 9.571 1.00 43.43 C ATOM 520 CD2 LEU A 32 1.214 2.461 7.500 1.00 55.53 C ATOM 0 H LEU A 32 -1.810 4.490 6.490 1.00 65.52 H new ATOM 0 HA LEU A 32 -1.032 1.864 6.212 1.00 41.42 H new ATOM 0 HB2 LEU A 32 -1.863 3.514 8.621 1.00 72.24 H new ATOM 0 HB3 LEU A 32 -1.168 1.913 8.777 1.00 72.24 H new ATOM 0 HG LEU A 32 0.196 4.325 7.566 1.00 54.51 H new ATOM 0 HD11 LEU A 32 1.599 4.159 9.581 1.00 43.43 H new ATOM 0 HD12 LEU A 32 -0.110 4.434 9.996 1.00 43.43 H new ATOM 0 HD13 LEU A 32 0.595 2.809 10.164 1.00 43.43 H new ATOM 0 HD21 LEU A 32 2.203 2.919 7.516 1.00 55.53 H new ATOM 0 HD22 LEU A 32 1.241 1.521 8.051 1.00 55.53 H new ATOM 0 HD23 LEU A 32 0.920 2.269 6.468 1.00 55.53 H new ATOM 532 N GLU A 33 -4.114 2.121 7.121 1.00 15.41 N ATOM 533 CA GLU A 33 -5.315 1.388 7.375 1.00 14.20 C ATOM 534 C GLU A 33 -5.743 0.599 6.135 1.00 63.11 C ATOM 535 O GLU A 33 -6.278 -0.485 6.245 1.00 24.32 O ATOM 536 CB GLU A 33 -6.412 2.331 7.842 1.00 31.03 C ATOM 537 CG GLU A 33 -7.103 3.152 6.762 1.00 24.34 C ATOM 538 CD GLU A 33 -8.209 3.988 7.337 1.00 31.01 C ATOM 539 OE1 GLU A 33 -9.343 3.482 7.456 1.00 24.35 O ATOM 540 OE2 GLU A 33 -7.978 5.154 7.688 1.00 45.33 O ATOM 0 H GLU A 33 -4.243 3.130 7.044 1.00 15.41 H new ATOM 0 HA GLU A 33 -5.127 0.666 8.170 1.00 14.20 H new ATOM 0 HB2 GLU A 33 -7.169 1.744 8.362 1.00 31.03 H new ATOM 0 HB3 GLU A 33 -5.984 3.018 8.572 1.00 31.03 H new ATOM 0 HG2 GLU A 33 -6.375 3.797 6.270 1.00 24.34 H new ATOM 0 HG3 GLU A 33 -7.506 2.487 5.999 1.00 24.34 H new ATOM 547 N ILE A 34 -5.417 1.130 4.965 1.00 31.42 N ATOM 548 CA ILE A 34 -5.772 0.549 3.701 1.00 71.53 C ATOM 549 C ILE A 34 -4.955 -0.695 3.486 1.00 11.13 C ATOM 550 O ILE A 34 -5.478 -1.734 3.147 1.00 31.32 O ATOM 551 CB ILE A 34 -5.471 1.565 2.574 1.00 4.12 C ATOM 552 CG1 ILE A 34 -6.289 2.840 2.801 1.00 23.31 C ATOM 553 CG2 ILE A 34 -5.712 0.970 1.186 1.00 12.50 C ATOM 554 CD1 ILE A 34 -5.945 3.974 1.880 1.00 1.41 C ATOM 0 H ILE A 34 -4.886 1.997 4.878 1.00 31.42 H new ATOM 0 HA ILE A 34 -6.832 0.297 3.691 1.00 71.53 H new ATOM 0 HB ILE A 34 -4.412 1.820 2.611 1.00 4.12 H new ATOM 0 HG12 ILE A 34 -7.347 2.603 2.685 1.00 23.31 H new ATOM 0 HG13 ILE A 34 -6.147 3.169 3.830 1.00 23.31 H new ATOM 0 HG21 ILE A 34 -5.488 1.718 0.426 1.00 12.50 H new ATOM 0 HG22 ILE A 34 -5.066 0.104 1.044 1.00 12.50 H new ATOM 0 HG23 ILE A 34 -6.754 0.663 1.098 1.00 12.50 H new ATOM 0 HD11 ILE A 34 -6.572 4.834 2.112 1.00 1.41 H new ATOM 0 HD12 ILE A 34 -4.897 4.243 2.010 1.00 1.41 H new ATOM 0 HD13 ILE A 34 -6.115 3.669 0.848 1.00 1.41 H new ATOM 566 N LEU A 35 -3.674 -0.587 3.733 1.00 70.03 N ATOM 567 CA LEU A 35 -2.789 -1.679 3.535 1.00 52.55 C ATOM 568 C LEU A 35 -3.036 -2.755 4.605 1.00 33.44 C ATOM 569 O LEU A 35 -2.906 -3.946 4.335 1.00 70.12 O ATOM 570 CB LEU A 35 -1.361 -1.140 3.555 1.00 12.02 C ATOM 571 CG LEU A 35 -0.281 -1.930 2.804 1.00 40.21 C ATOM 572 CD1 LEU A 35 0.024 -3.266 3.455 1.00 75.21 C ATOM 573 CD2 LEU A 35 -0.674 -2.134 1.346 1.00 64.51 C ATOM 0 H LEU A 35 -3.227 0.264 4.076 1.00 70.03 H new ATOM 0 HA LEU A 35 -2.961 -2.159 2.571 1.00 52.55 H new ATOM 0 HB2 LEU A 35 -1.380 -0.130 3.147 1.00 12.02 H new ATOM 0 HB3 LEU A 35 -1.050 -1.057 4.596 1.00 12.02 H new ATOM 0 HG LEU A 35 0.629 -1.332 2.850 1.00 40.21 H new ATOM 0 HD11 LEU A 35 0.795 -3.782 2.882 1.00 75.21 H new ATOM 0 HD12 LEU A 35 0.377 -3.102 4.473 1.00 75.21 H new ATOM 0 HD13 LEU A 35 -0.880 -3.875 3.478 1.00 75.21 H new ATOM 0 HD21 LEU A 35 0.107 -2.696 0.834 1.00 64.51 H new ATOM 0 HD22 LEU A 35 -1.612 -2.687 1.296 1.00 64.51 H new ATOM 0 HD23 LEU A 35 -0.799 -1.164 0.864 1.00 64.51 H new ATOM 585 N HIS A 36 -3.443 -2.343 5.794 1.00 20.30 N ATOM 586 CA HIS A 36 -3.685 -3.306 6.846 1.00 60.35 C ATOM 587 C HIS A 36 -5.042 -3.995 6.653 1.00 4.44 C ATOM 588 O HIS A 36 -5.159 -5.191 6.881 1.00 60.03 O ATOM 589 CB HIS A 36 -3.571 -2.674 8.244 1.00 1.53 C ATOM 590 CG HIS A 36 -3.539 -3.685 9.363 1.00 74.41 C ATOM 591 ND1 HIS A 36 -4.423 -3.708 10.416 1.00 62.31 N ATOM 592 CD2 HIS A 36 -2.674 -4.708 9.580 1.00 31.13 C ATOM 593 CE1 HIS A 36 -4.083 -4.716 11.226 1.00 41.24 C ATOM 594 NE2 HIS A 36 -3.021 -5.360 10.761 1.00 21.33 N ATOM 0 H HIS A 36 -3.609 -1.369 6.049 1.00 20.30 H new ATOM 0 HA HIS A 36 -2.906 -4.066 6.779 1.00 60.35 H new ATOM 0 HB2 HIS A 36 -2.666 -2.068 8.287 1.00 1.53 H new ATOM 0 HB3 HIS A 36 -4.413 -2.000 8.399 1.00 1.53 H new ATOM 0 HD2 HIS A 36 -1.847 -4.974 8.938 1.00 31.13 H new ATOM 0 HE1 HIS A 36 -4.604 -4.972 12.137 1.00 41.24 H new ATOM 0 HE2 HIS A 36 -2.555 -6.165 11.181 1.00 21.33 H new ATOM 602 N THR A 37 -6.049 -3.250 6.189 1.00 62.00 N ATOM 603 CA THR A 37 -7.374 -3.822 5.955 1.00 51.33 C ATOM 604 C THR A 37 -7.283 -4.800 4.776 1.00 5.52 C ATOM 605 O THR A 37 -7.925 -5.865 4.753 1.00 73.21 O ATOM 606 CB THR A 37 -8.446 -2.695 5.697 1.00 73.21 C ATOM 607 OG1 THR A 37 -9.772 -3.197 5.885 1.00 2.34 O ATOM 608 CG2 THR A 37 -8.358 -2.107 4.294 1.00 65.14 C ATOM 0 H THR A 37 -5.972 -2.257 5.970 1.00 62.00 H new ATOM 0 HA THR A 37 -7.703 -4.361 6.843 1.00 51.33 H new ATOM 0 HB THR A 37 -8.227 -1.909 6.420 1.00 73.21 H new ATOM 0 HG1 THR A 37 -10.420 -2.480 5.721 1.00 2.34 H new ATOM 0 HG21 THR A 37 -9.120 -1.337 4.174 1.00 65.14 H new ATOM 0 HG22 THR A 37 -7.371 -1.668 4.145 1.00 65.14 H new ATOM 0 HG23 THR A 37 -8.520 -2.895 3.558 1.00 65.14 H new ATOM 616 N TYR A 38 -6.380 -4.457 3.862 1.00 14.54 N ATOM 617 CA TYR A 38 -6.074 -5.212 2.681 1.00 64.11 C ATOM 618 C TYR A 38 -5.602 -6.619 3.079 1.00 21.43 C ATOM 619 O TYR A 38 -5.909 -7.615 2.421 1.00 62.21 O ATOM 620 CB TYR A 38 -4.941 -4.487 1.956 1.00 34.24 C ATOM 621 CG TYR A 38 -4.611 -4.997 0.602 1.00 62.13 C ATOM 622 CD1 TYR A 38 -5.405 -4.667 -0.457 1.00 13.05 C ATOM 623 CD2 TYR A 38 -3.494 -5.779 0.375 1.00 45.32 C ATOM 624 CE1 TYR A 38 -5.111 -5.096 -1.737 1.00 35.01 C ATOM 625 CE2 TYR A 38 -3.183 -6.211 -0.892 1.00 3.34 C ATOM 626 CZ TYR A 38 -4.000 -5.865 -1.949 1.00 50.22 C ATOM 627 OH TYR A 38 -3.689 -6.279 -3.224 1.00 33.44 O ATOM 0 H TYR A 38 -5.825 -3.605 3.941 1.00 14.54 H new ATOM 0 HA TYR A 38 -6.952 -5.301 2.042 1.00 64.11 H new ATOM 0 HB2 TYR A 38 -5.204 -3.433 1.872 1.00 34.24 H new ATOM 0 HB3 TYR A 38 -4.045 -4.544 2.574 1.00 34.24 H new ATOM 0 HD1 TYR A 38 -6.281 -4.058 -0.291 1.00 13.05 H new ATOM 0 HD2 TYR A 38 -2.858 -6.054 1.203 1.00 45.32 H new ATOM 0 HE1 TYR A 38 -5.753 -4.827 -2.563 1.00 35.01 H new ATOM 0 HE2 TYR A 38 -2.305 -6.817 -1.059 1.00 3.34 H new ATOM 0 HH TYR A 38 -2.717 -6.375 -3.309 1.00 33.44 H new ATOM 637 N GLN A 39 -4.892 -6.679 4.203 1.00 5.14 N ATOM 638 CA GLN A 39 -4.308 -7.909 4.720 1.00 71.24 C ATOM 639 C GLN A 39 -5.353 -8.918 5.165 1.00 73.21 C ATOM 640 O GLN A 39 -5.100 -10.126 5.164 1.00 52.11 O ATOM 641 CB GLN A 39 -3.344 -7.610 5.864 1.00 15.12 C ATOM 642 CG GLN A 39 -2.125 -6.815 5.436 1.00 12.11 C ATOM 643 CD GLN A 39 -1.321 -7.521 4.363 1.00 31.44 C ATOM 644 OE1 GLN A 39 -1.267 -8.751 4.314 1.00 20.14 O ATOM 645 NE2 GLN A 39 -0.726 -6.764 3.491 1.00 63.42 N ATOM 0 H GLN A 39 -4.705 -5.863 4.786 1.00 5.14 H new ATOM 0 HA GLN A 39 -3.759 -8.361 3.894 1.00 71.24 H new ATOM 0 HB2 GLN A 39 -3.874 -7.058 6.640 1.00 15.12 H new ATOM 0 HB3 GLN A 39 -3.017 -8.550 6.308 1.00 15.12 H new ATOM 0 HG2 GLN A 39 -2.442 -5.840 5.066 1.00 12.11 H new ATOM 0 HG3 GLN A 39 -1.489 -6.635 6.303 1.00 12.11 H new ATOM 0 HE21 GLN A 39 -0.794 -5.749 3.566 1.00 63.42 H new ATOM 0 HE22 GLN A 39 -0.190 -7.185 2.732 1.00 63.42 H new ATOM 654 N LYS A 40 -6.528 -8.448 5.523 1.00 71.02 N ATOM 655 CA LYS A 40 -7.581 -9.356 5.940 1.00 35.14 C ATOM 656 C LYS A 40 -8.238 -10.025 4.757 1.00 15.51 C ATOM 657 O LYS A 40 -8.865 -11.069 4.889 1.00 14.41 O ATOM 658 CB LYS A 40 -8.613 -8.713 6.832 1.00 21.22 C ATOM 659 CG LYS A 40 -8.104 -8.361 8.213 1.00 11.43 C ATOM 660 CD LYS A 40 -7.298 -7.074 8.238 1.00 51.14 C ATOM 661 CE LYS A 40 -6.861 -6.709 9.651 1.00 32.42 C ATOM 662 NZ LYS A 40 -8.015 -6.462 10.548 1.00 61.14 N ATOM 0 H LYS A 40 -6.779 -7.459 5.535 1.00 71.02 H new ATOM 0 HA LYS A 40 -7.087 -10.119 6.541 1.00 35.14 H new ATOM 0 HB2 LYS A 40 -8.980 -7.807 6.350 1.00 21.22 H new ATOM 0 HB3 LYS A 40 -9.463 -9.388 6.931 1.00 21.22 H new ATOM 0 HG2 LYS A 40 -8.951 -8.266 8.893 1.00 11.43 H new ATOM 0 HG3 LYS A 40 -7.486 -9.178 8.585 1.00 11.43 H new ATOM 0 HD2 LYS A 40 -6.419 -7.183 7.602 1.00 51.14 H new ATOM 0 HD3 LYS A 40 -7.895 -6.263 7.821 1.00 51.14 H new ATOM 0 HE2 LYS A 40 -6.251 -7.514 10.060 1.00 32.42 H new ATOM 0 HE3 LYS A 40 -6.233 -5.819 9.617 1.00 32.42 H new ATOM 0 HZ1 LYS A 40 -7.688 -5.978 11.409 1.00 61.14 H new ATOM 0 HZ2 LYS A 40 -8.713 -5.866 10.059 1.00 61.14 H new ATOM 0 HZ3 LYS A 40 -8.454 -7.369 10.806 1.00 61.14 H new ATOM 676 N GLU A 41 -8.093 -9.424 3.604 1.00 53.13 N ATOM 677 CA GLU A 41 -8.581 -10.010 2.381 1.00 65.21 C ATOM 678 C GLU A 41 -7.527 -10.974 1.836 1.00 2.41 C ATOM 679 O GLU A 41 -7.836 -11.898 1.092 1.00 33.10 O ATOM 680 CB GLU A 41 -8.902 -8.921 1.364 1.00 21.10 C ATOM 681 CG GLU A 41 -10.043 -7.994 1.778 1.00 21.24 C ATOM 682 CD GLU A 41 -11.401 -8.673 1.787 1.00 75.12 C ATOM 683 OE1 GLU A 41 -11.925 -8.996 0.671 1.00 74.22 O ATOM 684 OE2 GLU A 41 -11.967 -8.898 2.883 1.00 43.21 O ATOM 0 H GLU A 41 -7.636 -8.520 3.486 1.00 53.13 H new ATOM 0 HA GLU A 41 -9.500 -10.562 2.578 1.00 65.21 H new ATOM 0 HB2 GLU A 41 -8.007 -8.323 1.194 1.00 21.10 H new ATOM 0 HB3 GLU A 41 -9.157 -9.391 0.414 1.00 21.10 H new ATOM 0 HG2 GLU A 41 -9.837 -7.598 2.772 1.00 21.24 H new ATOM 0 HG3 GLU A 41 -10.075 -7.144 1.097 1.00 21.24 H new ATOM 691 N GLN A 42 -6.279 -10.747 2.231 1.00 40.50 N ATOM 692 CA GLN A 42 -5.173 -11.615 1.849 1.00 61.45 C ATOM 693 C GLN A 42 -5.227 -12.897 2.649 1.00 73.41 C ATOM 694 O GLN A 42 -4.883 -13.978 2.155 1.00 33.52 O ATOM 695 CB GLN A 42 -3.848 -10.899 2.024 1.00 63.14 C ATOM 696 CG GLN A 42 -3.755 -9.660 1.163 1.00 11.35 C ATOM 697 CD GLN A 42 -3.864 -9.983 -0.313 1.00 12.44 C ATOM 698 OE1 GLN A 42 -3.414 -11.023 -0.769 1.00 45.12 O ATOM 699 NE2 GLN A 42 -4.523 -9.140 -1.045 1.00 51.13 N ATOM 0 H GLN A 42 -6.007 -9.961 2.821 1.00 40.50 H new ATOM 0 HA GLN A 42 -5.265 -11.871 0.794 1.00 61.45 H new ATOM 0 HB2 GLN A 42 -3.721 -10.623 3.071 1.00 63.14 H new ATOM 0 HB3 GLN A 42 -3.033 -11.578 1.772 1.00 63.14 H new ATOM 0 HG2 GLN A 42 -4.548 -8.965 1.441 1.00 11.35 H new ATOM 0 HG3 GLN A 42 -2.808 -9.156 1.355 1.00 11.35 H new ATOM 0 HE21 GLN A 42 -4.885 -8.281 -0.632 1.00 51.13 H new ATOM 0 HE22 GLN A 42 -4.679 -9.336 -2.034 1.00 51.13 H new ATOM 708 N LEU A 43 -5.651 -12.766 3.895 1.00 34.41 N ATOM 709 CA LEU A 43 -5.960 -13.900 4.724 1.00 11.42 C ATOM 710 C LEU A 43 -7.203 -14.499 4.076 1.00 2.44 C ATOM 711 O LEU A 43 -8.181 -13.780 3.849 1.00 5.55 O ATOM 712 CB LEU A 43 -6.254 -13.400 6.168 1.00 61.54 C ATOM 713 CG LEU A 43 -6.273 -14.409 7.322 1.00 65.32 C ATOM 714 CD1 LEU A 43 -7.382 -15.391 7.170 1.00 32.14 C ATOM 715 CD2 LEU A 43 -4.939 -15.117 7.436 1.00 34.22 C ATOM 0 H LEU A 43 -5.788 -11.865 4.353 1.00 34.41 H new ATOM 0 HA LEU A 43 -5.155 -14.631 4.799 1.00 11.42 H new ATOM 0 HB2 LEU A 43 -5.511 -12.640 6.409 1.00 61.54 H new ATOM 0 HB3 LEU A 43 -7.224 -12.903 6.151 1.00 61.54 H new ATOM 0 HG LEU A 43 -6.449 -13.855 8.244 1.00 65.32 H new ATOM 0 HD11 LEU A 43 -7.365 -16.091 8.005 1.00 32.14 H new ATOM 0 HD12 LEU A 43 -8.336 -14.864 7.157 1.00 32.14 H new ATOM 0 HD13 LEU A 43 -7.258 -15.938 6.236 1.00 32.14 H new ATOM 0 HD21 LEU A 43 -4.974 -15.829 8.261 1.00 34.22 H new ATOM 0 HD22 LEU A 43 -4.728 -15.648 6.508 1.00 34.22 H new ATOM 0 HD23 LEU A 43 -4.153 -14.385 7.622 1.00 34.22 H new ATOM 727 N HIS A 44 -7.163 -15.764 3.741 1.00 42.21 N ATOM 728 CA HIS A 44 -8.243 -16.358 2.982 1.00 71.54 C ATOM 729 C HIS A 44 -9.485 -16.656 3.790 1.00 71.10 C ATOM 730 O HIS A 44 -9.679 -17.756 4.316 1.00 41.04 O ATOM 731 CB HIS A 44 -7.792 -17.534 2.119 1.00 22.41 C ATOM 732 CG HIS A 44 -6.853 -17.112 1.032 1.00 45.01 C ATOM 733 ND1 HIS A 44 -5.568 -17.578 0.892 1.00 70.03 N ATOM 734 CD2 HIS A 44 -7.047 -16.247 0.011 1.00 63.20 C ATOM 735 CE1 HIS A 44 -5.033 -16.996 -0.182 1.00 63.43 C ATOM 736 NE2 HIS A 44 -5.893 -16.176 -0.756 1.00 63.22 N ATOM 0 H HIS A 44 -6.402 -16.401 3.978 1.00 42.21 H new ATOM 0 HA HIS A 44 -8.552 -15.576 2.289 1.00 71.54 H new ATOM 0 HB2 HIS A 44 -7.305 -18.278 2.749 1.00 22.41 H new ATOM 0 HB3 HIS A 44 -8.665 -18.013 1.676 1.00 22.41 H new ATOM 0 HD2 HIS A 44 -7.957 -15.698 -0.178 1.00 63.20 H new ATOM 0 HE1 HIS A 44 -4.028 -17.173 -0.536 1.00 63.43 H new ATOM 0 HE2 HIS A 44 -5.741 -15.608 -1.590 1.00 63.22 H new ATOM 744 N THR A 45 -10.260 -15.624 3.954 1.00 70.22 N ATOM 745 CA THR A 45 -11.558 -15.623 4.557 1.00 32.23 C ATOM 746 C THR A 45 -12.258 -14.372 4.041 1.00 4.14 C ATOM 747 O THR A 45 -12.912 -14.425 2.985 1.00 30.15 O ATOM 748 CB THR A 45 -11.506 -15.652 6.127 1.00 63.40 C ATOM 749 OG1 THR A 45 -10.689 -16.755 6.573 1.00 31.00 O ATOM 750 CG2 THR A 45 -12.902 -15.811 6.711 1.00 24.11 C ATOM 0 H THR A 45 -9.979 -14.693 3.646 1.00 70.22 H new ATOM 0 HA THR A 45 -12.101 -16.529 4.287 1.00 32.23 H new ATOM 0 HB THR A 45 -11.079 -14.708 6.467 1.00 63.40 H new ATOM 0 HG1 THR A 45 -10.456 -17.320 5.807 1.00 31.00 H new ATOM 0 HG21 THR A 45 -12.841 -15.829 7.799 1.00 24.11 H new ATOM 0 HG22 THR A 45 -13.526 -14.975 6.396 1.00 24.11 H new ATOM 0 HG23 THR A 45 -13.340 -16.744 6.357 1.00 24.11 H new ATOM 758 N LYS A 46 -12.021 -13.261 4.725 1.00 35.45 N ATOM 759 CA LYS A 46 -12.507 -11.923 4.381 1.00 74.24 C ATOM 760 C LYS A 46 -12.333 -11.040 5.602 1.00 23.25 C ATOM 761 O LYS A 46 -12.220 -11.556 6.733 1.00 53.14 O ATOM 762 CB LYS A 46 -13.988 -11.913 3.934 1.00 21.53 C ATOM 763 CG LYS A 46 -15.012 -12.266 5.007 1.00 12.03 C ATOM 764 CD LYS A 46 -16.440 -12.199 4.459 1.00 43.25 C ATOM 765 CE LYS A 46 -16.855 -10.779 4.042 1.00 5.52 C ATOM 766 NZ LYS A 46 -16.885 -9.828 5.183 1.00 1.34 N ATOM 0 H LYS A 46 -11.458 -13.264 5.576 1.00 35.45 H new ATOM 0 HA LYS A 46 -11.930 -11.556 3.532 1.00 74.24 H new ATOM 0 HB2 LYS A 46 -14.223 -10.922 3.547 1.00 21.53 H new ATOM 0 HB3 LYS A 46 -14.102 -12.613 3.107 1.00 21.53 H new ATOM 0 HG2 LYS A 46 -14.813 -13.268 5.387 1.00 12.03 H new ATOM 0 HG3 LYS A 46 -14.911 -11.580 5.848 1.00 12.03 H new ATOM 0 HD2 LYS A 46 -16.525 -12.864 3.600 1.00 43.25 H new ATOM 0 HD3 LYS A 46 -17.132 -12.567 5.217 1.00 43.25 H new ATOM 0 HE2 LYS A 46 -16.162 -10.410 3.286 1.00 5.52 H new ATOM 0 HE3 LYS A 46 -17.841 -10.815 3.579 1.00 5.52 H new ATOM 0 HZ1 LYS A 46 -17.864 -9.521 5.353 1.00 1.34 H new ATOM 0 HZ2 LYS A 46 -16.516 -10.296 6.035 1.00 1.34 H new ATOM 0 HZ3 LYS A 46 -16.296 -9.000 4.961 1.00 1.34 H new ATOM 780 N GLY A 47 -12.253 -9.767 5.399 1.00 0.12 N ATOM 781 CA GLY A 47 -12.141 -8.864 6.515 1.00 31.43 C ATOM 782 C GLY A 47 -12.885 -7.587 6.289 1.00 63.21 C ATOM 783 O GLY A 47 -13.292 -6.912 7.249 1.00 2.04 O ATOM 0 H GLY A 47 -12.262 -9.323 4.481 1.00 0.12 H new ATOM 0 HA2 GLY A 47 -12.523 -9.350 7.413 1.00 31.43 H new ATOM 0 HA3 GLY A 47 -11.089 -8.642 6.696 1.00 31.43 H new ATOM 787 N ARG A 48 -13.077 -7.252 5.041 1.00 31.33 N ATOM 788 CA ARG A 48 -13.735 -6.033 4.682 1.00 12.25 C ATOM 789 C ARG A 48 -15.264 -6.237 4.748 1.00 65.24 C ATOM 790 O ARG A 48 -15.798 -7.235 4.234 1.00 4.24 O ATOM 791 CB ARG A 48 -13.245 -5.608 3.285 1.00 35.01 C ATOM 792 CG ARG A 48 -13.561 -4.179 2.842 1.00 43.20 C ATOM 793 CD ARG A 48 -15.008 -3.989 2.429 1.00 21.44 C ATOM 794 NE ARG A 48 -15.222 -2.681 1.835 1.00 64.55 N ATOM 795 CZ ARG A 48 -14.934 -2.380 0.564 1.00 45.41 C ATOM 796 NH1 ARG A 48 -14.553 -3.343 -0.293 1.00 52.34 N ATOM 797 NH2 ARG A 48 -15.084 -1.148 0.130 1.00 73.14 N ATOM 0 H ARG A 48 -12.780 -7.820 4.247 1.00 31.33 H new ATOM 0 HA ARG A 48 -13.494 -5.230 5.378 1.00 12.25 H new ATOM 0 HB2 ARG A 48 -12.164 -5.742 3.250 1.00 35.01 H new ATOM 0 HB3 ARG A 48 -13.674 -6.292 2.553 1.00 35.01 H new ATOM 0 HG2 ARG A 48 -13.329 -3.493 3.657 1.00 43.20 H new ATOM 0 HG3 ARG A 48 -12.913 -3.913 2.007 1.00 43.20 H new ATOM 0 HD2 ARG A 48 -15.289 -4.764 1.716 1.00 21.44 H new ATOM 0 HD3 ARG A 48 -15.655 -4.106 3.299 1.00 21.44 H new ATOM 0 HE ARG A 48 -15.616 -1.947 2.423 1.00 64.55 H new ATOM 0 HH11 ARG A 48 -14.482 -4.310 0.025 1.00 52.34 H new ATOM 0 HH12 ARG A 48 -14.335 -3.107 -1.261 1.00 52.34 H new ATOM 0 HH21 ARG A 48 -15.420 -0.422 0.763 1.00 73.14 H new ATOM 0 HH22 ARG A 48 -14.864 -0.918 -0.839 1.00 73.14 H new ATOM 811 N PRO A 49 -15.965 -5.330 5.430 1.00 3.30 N ATOM 812 CA PRO A 49 -17.415 -5.376 5.561 1.00 31.41 C ATOM 813 C PRO A 49 -18.134 -4.838 4.324 1.00 24.52 C ATOM 814 O PRO A 49 -18.079 -3.634 4.031 1.00 55.14 O ATOM 815 CB PRO A 49 -17.684 -4.499 6.786 1.00 4.32 C ATOM 816 CG PRO A 49 -16.558 -3.517 6.815 1.00 40.24 C ATOM 817 CD PRO A 49 -15.382 -4.180 6.144 1.00 5.32 C ATOM 0 HA PRO A 49 -17.787 -6.395 5.666 1.00 31.41 H new ATOM 0 HB2 PRO A 49 -18.646 -3.993 6.706 1.00 4.32 H new ATOM 0 HB3 PRO A 49 -17.712 -5.094 7.699 1.00 4.32 H new ATOM 0 HG2 PRO A 49 -16.832 -2.599 6.295 1.00 40.24 H new ATOM 0 HG3 PRO A 49 -16.312 -3.241 7.841 1.00 40.24 H new ATOM 0 HD2 PRO A 49 -14.881 -3.498 5.457 1.00 5.32 H new ATOM 0 HD3 PRO A 49 -14.638 -4.501 6.873 1.00 5.32 H new ATOM 825 N PHE A 50 -18.781 -5.758 3.608 1.00 61.14 N ATOM 826 CA PHE A 50 -19.554 -5.488 2.393 1.00 33.25 C ATOM 827 C PHE A 50 -18.635 -5.119 1.226 1.00 51.41 C ATOM 828 O PHE A 50 -17.960 -4.093 1.256 1.00 72.01 O ATOM 829 CB PHE A 50 -20.637 -4.428 2.649 1.00 5.43 C ATOM 830 CG PHE A 50 -21.565 -4.186 1.490 1.00 20.53 C ATOM 831 CD1 PHE A 50 -22.582 -5.083 1.206 1.00 55.42 C ATOM 832 CD2 PHE A 50 -21.430 -3.060 0.695 1.00 54.10 C ATOM 833 CE1 PHE A 50 -23.444 -4.864 0.150 1.00 21.23 C ATOM 834 CE2 PHE A 50 -22.287 -2.835 -0.362 1.00 2.55 C ATOM 835 CZ PHE A 50 -23.296 -3.740 -0.636 1.00 41.12 C ATOM 0 H PHE A 50 -18.782 -6.745 3.866 1.00 61.14 H new ATOM 0 HA PHE A 50 -20.073 -6.403 2.107 1.00 33.25 H new ATOM 0 HB2 PHE A 50 -21.228 -4.733 3.513 1.00 5.43 H new ATOM 0 HB3 PHE A 50 -20.152 -3.488 2.911 1.00 5.43 H new ATOM 0 HD1 PHE A 50 -22.702 -5.965 1.818 1.00 55.42 H new ATOM 0 HD2 PHE A 50 -20.644 -2.350 0.905 1.00 54.10 H new ATOM 0 HE1 PHE A 50 -24.233 -5.571 -0.060 1.00 21.23 H new ATOM 0 HE2 PHE A 50 -22.170 -1.953 -0.975 1.00 2.55 H new ATOM 0 HZ PHE A 50 -23.967 -3.567 -1.464 1.00 41.12 H new ATOM 845 N ARG A 51 -18.659 -5.967 0.192 1.00 0.23 N ATOM 846 CA ARG A 51 -17.787 -5.892 -0.980 1.00 33.52 C ATOM 847 C ARG A 51 -16.407 -6.430 -0.707 1.00 42.13 C ATOM 848 O ARG A 51 -15.728 -6.001 0.234 1.00 63.15 O ATOM 849 CB ARG A 51 -17.666 -4.512 -1.592 1.00 1.23 C ATOM 850 CG ARG A 51 -18.902 -3.994 -2.263 1.00 61.11 C ATOM 851 CD ARG A 51 -18.516 -2.797 -3.057 1.00 10.22 C ATOM 852 NE ARG A 51 -19.622 -2.212 -3.811 1.00 22.52 N ATOM 853 CZ ARG A 51 -19.490 -1.233 -4.719 1.00 54.14 C ATOM 854 NH1 ARG A 51 -18.304 -0.676 -4.939 1.00 34.01 N ATOM 855 NH2 ARG A 51 -20.551 -0.805 -5.386 1.00 62.45 N ATOM 0 H ARG A 51 -19.310 -6.751 0.149 1.00 0.23 H new ATOM 0 HA ARG A 51 -18.291 -6.526 -1.709 1.00 33.52 H new ATOM 0 HB2 ARG A 51 -17.377 -3.810 -0.809 1.00 1.23 H new ATOM 0 HB3 ARG A 51 -16.856 -4.527 -2.322 1.00 1.23 H new ATOM 0 HG2 ARG A 51 -19.336 -4.758 -2.908 1.00 61.11 H new ATOM 0 HG3 ARG A 51 -19.659 -3.735 -1.523 1.00 61.11 H new ATOM 0 HD2 ARG A 51 -18.107 -2.043 -2.385 1.00 10.22 H new ATOM 0 HD3 ARG A 51 -17.721 -3.072 -3.750 1.00 10.22 H new ATOM 0 HE ARG A 51 -20.560 -2.573 -3.635 1.00 22.52 H new ATOM 0 HH11 ARG A 51 -17.487 -0.992 -4.416 1.00 34.01 H new ATOM 0 HH12 ARG A 51 -18.210 0.068 -5.631 1.00 34.01 H new ATOM 0 HH21 ARG A 51 -21.466 -1.219 -5.209 1.00 62.45 H new ATOM 0 HH22 ARG A 51 -20.453 -0.061 -6.077 1.00 62.45 H new ATOM 869 N GLY A 52 -15.990 -7.381 -1.513 1.00 30.35 N ATOM 870 CA GLY A 52 -14.638 -7.865 -1.421 1.00 41.30 C ATOM 871 C GLY A 52 -13.707 -6.768 -1.842 1.00 4.32 C ATOM 872 O GLY A 52 -13.970 -6.098 -2.858 1.00 51.02 O ATOM 0 H GLY A 52 -16.562 -7.828 -2.230 1.00 30.35 H new ATOM 0 HA2 GLY A 52 -14.417 -8.178 -0.401 1.00 41.30 H new ATOM 0 HA3 GLY A 52 -14.505 -8.739 -2.058 1.00 41.30 H new ATOM 876 N MET A 53 -12.665 -6.539 -1.072 1.00 42.21 N ATOM 877 CA MET A 53 -11.767 -5.447 -1.334 1.00 61.44 C ATOM 878 C MET A 53 -10.958 -5.750 -2.556 1.00 72.24 C ATOM 879 O MET A 53 -10.050 -6.589 -2.528 1.00 74.04 O ATOM 880 CB MET A 53 -10.832 -5.228 -0.177 1.00 71.30 C ATOM 881 CG MET A 53 -10.369 -3.825 -0.060 1.00 51.20 C ATOM 882 SD MET A 53 -9.066 -3.670 1.148 1.00 0.20 S ATOM 883 CE MET A 53 -8.838 -1.904 1.144 1.00 21.30 C ATOM 0 H MET A 53 -12.422 -7.101 -0.256 1.00 42.21 H new ATOM 0 HA MET A 53 -12.361 -4.545 -1.483 1.00 61.44 H new ATOM 0 HB2 MET A 53 -11.333 -5.517 0.747 1.00 71.30 H new ATOM 0 HB3 MET A 53 -9.967 -5.882 -0.288 1.00 71.30 H new ATOM 0 HG2 MET A 53 -10.013 -3.476 -1.029 1.00 51.20 H new ATOM 0 HG3 MET A 53 -11.206 -3.186 0.221 1.00 51.20 H new ATOM 0 HE1 MET A 53 -7.797 -1.671 1.366 1.00 21.30 H new ATOM 0 HE2 MET A 53 -9.098 -1.506 0.163 1.00 21.30 H new ATOM 0 HE3 MET A 53 -9.480 -1.453 1.900 1.00 21.30 H new ATOM 893 N SER A 54 -11.293 -5.115 -3.625 1.00 63.41 N ATOM 894 CA SER A 54 -10.579 -5.318 -4.828 1.00 44.03 C ATOM 895 C SER A 54 -9.344 -4.433 -4.770 1.00 1.01 C ATOM 896 O SER A 54 -9.390 -3.341 -4.191 1.00 61.54 O ATOM 897 CB SER A 54 -11.484 -4.948 -5.988 1.00 11.35 C ATOM 898 OG SER A 54 -12.749 -5.606 -5.847 1.00 62.04 O ATOM 0 H SER A 54 -12.062 -4.448 -3.686 1.00 63.41 H new ATOM 0 HA SER A 54 -10.270 -6.355 -4.961 1.00 44.03 H new ATOM 0 HB2 SER A 54 -11.627 -3.868 -6.019 1.00 11.35 H new ATOM 0 HB3 SER A 54 -11.018 -5.235 -6.931 1.00 11.35 H new ATOM 0 HG SER A 54 -13.330 -5.362 -6.598 1.00 62.04 H new ATOM 904 N GLU A 55 -8.264 -4.851 -5.389 1.00 62.25 N ATOM 905 CA GLU A 55 -7.038 -4.136 -5.298 1.00 62.42 C ATOM 906 C GLU A 55 -7.130 -2.776 -6.014 1.00 64.43 C ATOM 907 O GLU A 55 -6.385 -1.858 -5.714 1.00 64.22 O ATOM 908 CB GLU A 55 -5.881 -4.976 -5.799 1.00 1.24 C ATOM 909 CG GLU A 55 -5.672 -4.909 -7.265 1.00 33.13 C ATOM 910 CD GLU A 55 -6.764 -5.586 -8.068 1.00 3.33 C ATOM 911 OE1 GLU A 55 -6.699 -6.801 -8.275 1.00 24.11 O ATOM 912 OE2 GLU A 55 -7.726 -4.915 -8.478 1.00 50.30 O ATOM 0 H GLU A 55 -8.223 -5.693 -5.964 1.00 62.25 H new ATOM 0 HA GLU A 55 -6.845 -3.923 -4.247 1.00 62.42 H new ATOM 0 HB2 GLU A 55 -4.968 -4.653 -5.298 1.00 1.24 H new ATOM 0 HB3 GLU A 55 -6.050 -6.014 -5.514 1.00 1.24 H new ATOM 0 HG2 GLU A 55 -5.607 -3.863 -7.566 1.00 33.13 H new ATOM 0 HG3 GLU A 55 -4.715 -5.371 -7.508 1.00 33.13 H new ATOM 919 N GLU A 56 -8.034 -2.683 -6.965 1.00 42.22 N ATOM 920 CA GLU A 56 -8.299 -1.462 -7.676 1.00 5.31 C ATOM 921 C GLU A 56 -8.906 -0.412 -6.742 1.00 34.42 C ATOM 922 O GLU A 56 -8.526 0.760 -6.787 1.00 0.31 O ATOM 923 CB GLU A 56 -9.238 -1.727 -8.841 1.00 71.10 C ATOM 924 CG GLU A 56 -9.499 -0.511 -9.691 1.00 4.31 C ATOM 925 CD GLU A 56 -10.466 -0.780 -10.793 1.00 51.04 C ATOM 926 OE1 GLU A 56 -11.693 -0.637 -10.575 1.00 73.32 O ATOM 927 OE2 GLU A 56 -10.031 -1.116 -11.909 1.00 22.15 O ATOM 0 H GLU A 56 -8.611 -3.468 -7.267 1.00 42.22 H new ATOM 0 HA GLU A 56 -7.354 -1.078 -8.061 1.00 5.31 H new ATOM 0 HB2 GLU A 56 -8.816 -2.514 -9.466 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -10.186 -2.101 -8.455 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -9.884 0.292 -9.062 1.00 4.31 H new ATOM 0 HG3 GLU A 56 -8.558 -0.160 -10.115 1.00 4.31 H new ATOM 934 N GLU A 57 -9.809 -0.835 -5.848 1.00 23.25 N ATOM 935 CA GLU A 57 -10.453 0.115 -4.955 1.00 61.31 C ATOM 936 C GLU A 57 -9.454 0.490 -3.877 1.00 40.53 C ATOM 937 O GLU A 57 -9.481 1.588 -3.310 1.00 12.42 O ATOM 938 CB GLU A 57 -11.736 -0.462 -4.369 1.00 3.23 C ATOM 939 CG GLU A 57 -11.539 -1.308 -3.156 1.00 2.05 C ATOM 940 CD GLU A 57 -12.821 -1.846 -2.635 1.00 73.35 C ATOM 941 OE1 GLU A 57 -13.616 -1.069 -2.090 1.00 41.32 O ATOM 942 OE2 GLU A 57 -13.068 -3.050 -2.749 1.00 62.02 O ATOM 0 H GLU A 57 -10.100 -1.806 -5.730 1.00 23.25 H new ATOM 0 HA GLU A 57 -10.749 1.009 -5.503 1.00 61.31 H new ATOM 0 HB2 GLU A 57 -12.407 0.360 -4.118 1.00 3.23 H new ATOM 0 HB3 GLU A 57 -12.234 -1.057 -5.134 1.00 3.23 H new ATOM 0 HG2 GLU A 57 -10.870 -2.135 -3.396 1.00 2.05 H new ATOM 0 HG3 GLU A 57 -11.051 -0.719 -2.379 1.00 2.05 H new ATOM 949 N VAL A 58 -8.554 -0.440 -3.646 1.00 11.15 N ATOM 950 CA VAL A 58 -7.446 -0.281 -2.778 1.00 5.53 C ATOM 951 C VAL A 58 -6.540 0.803 -3.334 1.00 30.45 C ATOM 952 O VAL A 58 -6.302 1.823 -2.685 1.00 70.32 O ATOM 953 CB VAL A 58 -6.713 -1.640 -2.703 1.00 41.00 C ATOM 954 CG1 VAL A 58 -5.260 -1.535 -2.291 1.00 33.42 C ATOM 955 CG2 VAL A 58 -7.460 -2.548 -1.778 1.00 3.21 C ATOM 0 H VAL A 58 -8.591 -1.360 -4.084 1.00 11.15 H new ATOM 0 HA VAL A 58 -7.757 0.017 -1.777 1.00 5.53 H new ATOM 0 HB VAL A 58 -6.697 -2.050 -3.713 1.00 41.00 H new ATOM 0 HG11 VAL A 58 -4.817 -2.531 -2.262 1.00 33.42 H new ATOM 0 HG12 VAL A 58 -4.721 -0.919 -3.011 1.00 33.42 H new ATOM 0 HG13 VAL A 58 -5.194 -1.080 -1.303 1.00 33.42 H new ATOM 0 HG21 VAL A 58 -6.949 -3.509 -1.720 1.00 3.21 H new ATOM 0 HG22 VAL A 58 -7.504 -2.100 -0.785 1.00 3.21 H new ATOM 0 HG23 VAL A 58 -8.472 -2.698 -2.154 1.00 3.21 H new ATOM 965 N PHE A 59 -6.140 0.614 -4.585 1.00 31.44 N ATOM 966 CA PHE A 59 -5.264 1.523 -5.281 1.00 10.15 C ATOM 967 C PHE A 59 -5.879 2.901 -5.388 1.00 43.33 C ATOM 968 O PHE A 59 -5.173 3.884 -5.325 1.00 51.12 O ATOM 969 CB PHE A 59 -4.887 0.973 -6.669 1.00 64.44 C ATOM 970 CG PHE A 59 -3.998 1.896 -7.465 1.00 3.40 C ATOM 971 CD1 PHE A 59 -2.698 2.145 -7.058 1.00 24.11 C ATOM 972 CD2 PHE A 59 -4.473 2.533 -8.601 1.00 60.15 C ATOM 973 CE1 PHE A 59 -1.889 3.003 -7.769 1.00 34.21 C ATOM 974 CE2 PHE A 59 -3.667 3.396 -9.316 1.00 10.23 C ATOM 975 CZ PHE A 59 -2.373 3.631 -8.900 1.00 21.24 C ATOM 0 H PHE A 59 -6.424 -0.190 -5.145 1.00 31.44 H new ATOM 0 HA PHE A 59 -4.347 1.615 -4.698 1.00 10.15 H new ATOM 0 HB2 PHE A 59 -4.383 0.014 -6.546 1.00 64.44 H new ATOM 0 HB3 PHE A 59 -5.799 0.783 -7.235 1.00 64.44 H new ATOM 0 HD1 PHE A 59 -2.314 1.661 -6.172 1.00 24.11 H new ATOM 0 HD2 PHE A 59 -5.485 2.352 -8.930 1.00 60.15 H new ATOM 0 HE1 PHE A 59 -0.876 3.185 -7.442 1.00 34.21 H new ATOM 0 HE2 PHE A 59 -4.049 3.886 -10.199 1.00 10.23 H new ATOM 0 HZ PHE A 59 -1.739 4.305 -9.458 1.00 21.24 H new ATOM 985 N THR A 60 -7.197 2.962 -5.503 1.00 24.21 N ATOM 986 CA THR A 60 -7.905 4.166 -5.576 1.00 5.30 C ATOM 987 C THR A 60 -7.608 5.065 -4.369 1.00 71.32 C ATOM 988 O THR A 60 -7.198 6.204 -4.541 1.00 72.24 O ATOM 989 CB THR A 60 -9.393 3.850 -5.655 1.00 2.54 C ATOM 990 OG1 THR A 60 -9.682 3.163 -6.892 1.00 61.30 O ATOM 991 CG2 THR A 60 -10.187 5.095 -5.559 1.00 25.11 C ATOM 0 H THR A 60 -7.792 2.134 -5.547 1.00 24.21 H new ATOM 0 HA THR A 60 -7.592 4.711 -6.466 1.00 5.30 H new ATOM 0 HB THR A 60 -9.664 3.203 -4.820 1.00 2.54 H new ATOM 0 HG1 THR A 60 -9.495 2.207 -6.786 1.00 61.30 H new ATOM 0 HG21 THR A 60 -11.249 4.855 -5.617 1.00 25.11 H new ATOM 0 HG22 THR A 60 -9.978 5.588 -4.610 1.00 25.11 H new ATOM 0 HG23 THR A 60 -9.920 5.761 -6.380 1.00 25.11 H new ATOM 999 N GLU A 61 -7.738 4.531 -3.156 1.00 15.51 N ATOM 1000 CA GLU A 61 -7.517 5.352 -1.991 1.00 61.54 C ATOM 1001 C GLU A 61 -6.044 5.644 -1.799 1.00 22.50 C ATOM 1002 O GLU A 61 -5.685 6.678 -1.277 1.00 55.35 O ATOM 1003 CB GLU A 61 -8.102 4.746 -0.734 1.00 41.31 C ATOM 1004 CG GLU A 61 -9.593 4.614 -0.762 1.00 60.34 C ATOM 1005 CD GLU A 61 -10.161 4.341 0.596 1.00 11.32 C ATOM 1006 OE1 GLU A 61 -10.480 5.312 1.312 1.00 75.14 O ATOM 1007 OE2 GLU A 61 -10.315 3.164 0.974 1.00 2.34 O ATOM 0 H GLU A 61 -7.988 3.560 -2.967 1.00 15.51 H new ATOM 0 HA GLU A 61 -8.040 6.291 -2.172 1.00 61.54 H new ATOM 0 HB2 GLU A 61 -7.663 3.761 -0.579 1.00 41.31 H new ATOM 0 HB3 GLU A 61 -7.817 5.360 0.120 1.00 41.31 H new ATOM 0 HG2 GLU A 61 -10.030 5.530 -1.160 1.00 60.34 H new ATOM 0 HG3 GLU A 61 -9.872 3.807 -1.440 1.00 60.34 H new ATOM 1014 N VAL A 62 -5.203 4.734 -2.240 1.00 12.23 N ATOM 1015 CA VAL A 62 -3.766 4.917 -2.148 1.00 72.03 C ATOM 1016 C VAL A 62 -3.306 6.019 -3.124 1.00 70.45 C ATOM 1017 O VAL A 62 -2.530 6.905 -2.762 1.00 43.24 O ATOM 1018 CB VAL A 62 -3.022 3.593 -2.430 1.00 60.43 C ATOM 1019 CG1 VAL A 62 -1.541 3.757 -2.227 1.00 13.14 C ATOM 1020 CG2 VAL A 62 -3.538 2.497 -1.524 1.00 75.32 C ATOM 0 H VAL A 62 -5.489 3.854 -2.669 1.00 12.23 H new ATOM 0 HA VAL A 62 -3.523 5.228 -1.132 1.00 72.03 H new ATOM 0 HB VAL A 62 -3.206 3.319 -3.469 1.00 60.43 H new ATOM 0 HG11 VAL A 62 -1.039 2.811 -2.431 1.00 13.14 H new ATOM 0 HG12 VAL A 62 -1.163 4.522 -2.905 1.00 13.14 H new ATOM 0 HG13 VAL A 62 -1.346 4.056 -1.197 1.00 13.14 H new ATOM 0 HG21 VAL A 62 -3.005 1.570 -1.734 1.00 75.32 H new ATOM 0 HG22 VAL A 62 -3.378 2.780 -0.483 1.00 75.32 H new ATOM 0 HG23 VAL A 62 -4.604 2.350 -1.701 1.00 75.32 H new ATOM 1030 N ALA A 63 -3.833 5.985 -4.334 1.00 14.41 N ATOM 1031 CA ALA A 63 -3.532 6.989 -5.352 1.00 63.34 C ATOM 1032 C ALA A 63 -4.122 8.326 -4.955 1.00 2.12 C ATOM 1033 O ALA A 63 -3.609 9.366 -5.304 1.00 21.44 O ATOM 1034 CB ALA A 63 -4.055 6.557 -6.715 1.00 62.14 C ATOM 0 H ALA A 63 -4.483 5.262 -4.644 1.00 14.41 H new ATOM 0 HA ALA A 63 -2.449 7.090 -5.425 1.00 63.34 H new ATOM 0 HB1 ALA A 63 -3.818 7.322 -7.455 1.00 62.14 H new ATOM 0 HB2 ALA A 63 -3.586 5.616 -7.003 1.00 62.14 H new ATOM 0 HB3 ALA A 63 -5.136 6.424 -6.664 1.00 62.14 H new ATOM 1040 N ASN A 64 -5.217 8.263 -4.251 1.00 44.45 N ATOM 1041 CA ASN A 64 -5.903 9.422 -3.686 1.00 1.35 C ATOM 1042 C ASN A 64 -5.133 9.978 -2.483 1.00 12.31 C ATOM 1043 O ASN A 64 -5.167 11.175 -2.201 1.00 1.12 O ATOM 1044 CB ASN A 64 -7.311 8.992 -3.304 1.00 2.34 C ATOM 1045 CG ASN A 64 -8.100 9.915 -2.394 1.00 22.12 C ATOM 1046 OD1 ASN A 64 -7.994 11.141 -2.446 1.00 3.32 O ATOM 1047 ND2 ASN A 64 -8.874 9.314 -1.523 1.00 75.35 N ATOM 0 H ASN A 64 -5.683 7.381 -4.040 1.00 44.45 H new ATOM 0 HA ASN A 64 -5.955 10.227 -4.419 1.00 1.35 H new ATOM 0 HB2 ASN A 64 -7.882 8.855 -4.222 1.00 2.34 H new ATOM 0 HB3 ASN A 64 -7.246 8.017 -2.821 1.00 2.34 H new ATOM 0 HD21 ASN A 64 -9.415 9.865 -0.857 1.00 75.35 H new ATOM 0 HD22 ASN A 64 -8.935 8.296 -1.512 1.00 75.35 H new ATOM 1054 N LEU A 65 -4.439 9.116 -1.801 1.00 53.53 N ATOM 1055 CA LEU A 65 -3.657 9.501 -0.667 1.00 4.13 C ATOM 1056 C LEU A 65 -2.394 10.228 -1.156 1.00 45.43 C ATOM 1057 O LEU A 65 -2.056 11.312 -0.683 1.00 42.43 O ATOM 1058 CB LEU A 65 -3.235 8.250 0.103 1.00 42.24 C ATOM 1059 CG LEU A 65 -3.123 8.377 1.629 1.00 42.41 C ATOM 1060 CD1 LEU A 65 -3.145 9.799 2.087 1.00 21.12 C ATOM 1061 CD2 LEU A 65 -4.235 7.661 2.286 1.00 43.13 C ATOM 0 H LEU A 65 -4.400 8.120 -2.018 1.00 53.53 H new ATOM 0 HA LEU A 65 -4.243 10.155 -0.021 1.00 4.13 H new ATOM 0 HB2 LEU A 65 -3.950 7.458 -0.120 1.00 42.24 H new ATOM 0 HB3 LEU A 65 -2.268 7.925 -0.282 1.00 42.24 H new ATOM 0 HG LEU A 65 -2.164 7.939 1.906 1.00 42.41 H new ATOM 0 HD11 LEU A 65 -3.063 9.833 3.173 1.00 21.12 H new ATOM 0 HD12 LEU A 65 -2.308 10.337 1.643 1.00 21.12 H new ATOM 0 HD13 LEU A 65 -4.081 10.266 1.779 1.00 21.12 H new ATOM 0 HD21 LEU A 65 -4.143 7.760 3.368 1.00 43.13 H new ATOM 0 HD22 LEU A 65 -5.184 8.088 1.962 1.00 43.13 H new ATOM 0 HD23 LEU A 65 -4.200 6.606 2.014 1.00 43.13 H new ATOM 1073 N PHE A 66 -1.730 9.628 -2.123 1.00 31.44 N ATOM 1074 CA PHE A 66 -0.459 10.129 -2.627 1.00 64.25 C ATOM 1075 C PHE A 66 -0.614 10.654 -4.057 1.00 24.55 C ATOM 1076 O PHE A 66 0.215 10.344 -4.929 1.00 41.15 O ATOM 1077 CB PHE A 66 0.564 8.978 -2.637 1.00 2.21 C ATOM 1078 CG PHE A 66 0.663 8.198 -1.352 1.00 32.42 C ATOM 1079 CD1 PHE A 66 0.933 8.827 -0.153 1.00 25.33 C ATOM 1080 CD2 PHE A 66 0.490 6.828 -1.354 1.00 4.42 C ATOM 1081 CE1 PHE A 66 1.027 8.108 1.016 1.00 53.34 C ATOM 1082 CE2 PHE A 66 0.583 6.102 -0.188 1.00 12.11 C ATOM 1083 CZ PHE A 66 0.852 6.745 0.999 1.00 5.22 C ATOM 0 H PHE A 66 -2.053 8.778 -2.585 1.00 31.44 H new ATOM 0 HA PHE A 66 -0.123 10.941 -1.982 1.00 64.25 H new ATOM 0 HB2 PHE A 66 0.305 8.290 -3.442 1.00 2.21 H new ATOM 0 HB3 PHE A 66 1.546 9.388 -2.871 1.00 2.21 H new ATOM 0 HD1 PHE A 66 1.072 9.898 -0.133 1.00 25.33 H new ATOM 0 HD2 PHE A 66 0.279 6.319 -2.283 1.00 4.42 H new ATOM 0 HE1 PHE A 66 1.238 8.614 1.946 1.00 53.34 H new ATOM 0 HE2 PHE A 66 0.445 5.031 -0.205 1.00 12.11 H new ATOM 0 HZ PHE A 66 0.925 6.179 1.916 1.00 5.22 H new ATOM 1093 N ARG A 67 -1.638 11.467 -4.297 1.00 13.21 N ATOM 1094 CA ARG A 67 -1.910 11.984 -5.652 1.00 15.21 C ATOM 1095 C ARG A 67 -0.710 12.791 -6.162 1.00 5.13 C ATOM 1096 O ARG A 67 -0.331 13.793 -5.563 1.00 20.30 O ATOM 1097 CB ARG A 67 -3.164 12.885 -5.682 1.00 54.44 C ATOM 1098 CG ARG A 67 -4.343 12.344 -4.933 1.00 61.21 C ATOM 1099 CD ARG A 67 -5.586 13.198 -5.113 1.00 34.15 C ATOM 1100 NE ARG A 67 -6.138 13.121 -6.475 1.00 12.10 N ATOM 1101 CZ ARG A 67 -7.427 12.867 -6.771 1.00 21.04 C ATOM 1102 NH1 ARG A 67 -8.303 12.617 -5.800 1.00 73.31 N ATOM 1103 NH2 ARG A 67 -7.834 12.867 -8.034 1.00 23.32 N ATOM 0 H ARG A 67 -2.294 11.785 -3.583 1.00 13.21 H new ATOM 0 HA ARG A 67 -2.086 11.122 -6.295 1.00 15.21 H new ATOM 0 HB2 ARG A 67 -2.904 13.859 -5.268 1.00 54.44 H new ATOM 0 HB3 ARG A 67 -3.454 13.046 -6.720 1.00 54.44 H new ATOM 0 HG2 ARG A 67 -4.551 11.329 -5.272 1.00 61.21 H new ATOM 0 HG3 ARG A 67 -4.099 12.282 -3.873 1.00 61.21 H new ATOM 0 HD2 ARG A 67 -6.346 12.880 -4.399 1.00 34.15 H new ATOM 0 HD3 ARG A 67 -5.345 14.236 -4.882 1.00 34.15 H new ATOM 0 HE ARG A 67 -5.496 13.271 -7.253 1.00 12.10 H new ATOM 0 HH11 ARG A 67 -7.999 12.617 -4.826 1.00 73.31 H new ATOM 0 HH12 ARG A 67 -9.278 12.425 -6.030 1.00 73.31 H new ATOM 0 HH21 ARG A 67 -7.170 13.060 -8.784 1.00 23.32 H new ATOM 0 HH22 ARG A 67 -8.811 12.674 -8.255 1.00 23.32 H new ATOM 1117 N GLY A 68 -0.100 12.340 -7.229 1.00 34.31 N ATOM 1118 CA GLY A 68 1.029 13.046 -7.768 1.00 33.53 C ATOM 1119 C GLY A 68 2.312 12.259 -7.636 1.00 22.14 C ATOM 1120 O GLY A 68 3.247 12.441 -8.422 1.00 21.05 O ATOM 0 H GLY A 68 -0.365 11.495 -7.736 1.00 34.31 H new ATOM 0 HA2 GLY A 68 0.848 13.268 -8.820 1.00 33.53 H new ATOM 0 HA3 GLY A 68 1.137 14.001 -7.254 1.00 33.53 H new ATOM 1124 N GLN A 69 2.378 11.381 -6.650 1.00 45.52 N ATOM 1125 CA GLN A 69 3.552 10.555 -6.447 1.00 73.53 C ATOM 1126 C GLN A 69 3.452 9.308 -7.308 1.00 20.23 C ATOM 1127 O GLN A 69 3.303 8.198 -6.804 1.00 53.22 O ATOM 1128 CB GLN A 69 3.656 10.161 -4.996 1.00 43.11 C ATOM 1129 CG GLN A 69 3.728 11.321 -4.034 1.00 11.42 C ATOM 1130 CD GLN A 69 4.976 12.122 -4.170 1.00 3.41 C ATOM 1131 OE1 GLN A 69 6.000 11.816 -3.562 1.00 12.02 O ATOM 1132 NE2 GLN A 69 4.907 13.163 -4.914 1.00 32.12 N ATOM 0 H GLN A 69 1.629 11.223 -5.976 1.00 45.52 H new ATOM 0 HA GLN A 69 4.441 11.120 -6.729 1.00 73.53 H new ATOM 0 HB2 GLN A 69 2.795 9.545 -4.738 1.00 43.11 H new ATOM 0 HB3 GLN A 69 4.543 9.541 -4.864 1.00 43.11 H new ATOM 0 HG2 GLN A 69 2.868 11.971 -4.194 1.00 11.42 H new ATOM 0 HG3 GLN A 69 3.656 10.943 -3.014 1.00 11.42 H new ATOM 0 HE21 GLN A 69 4.039 13.384 -5.403 1.00 32.12 H new ATOM 0 HE22 GLN A 69 5.720 13.771 -5.017 1.00 32.12 H new ATOM 1141 N GLU A 70 3.539 9.498 -8.599 1.00 73.32 N ATOM 1142 CA GLU A 70 3.302 8.434 -9.551 1.00 3.34 C ATOM 1143 C GLU A 70 4.341 7.334 -9.519 1.00 22.10 C ATOM 1144 O GLU A 70 4.029 6.210 -9.859 1.00 43.53 O ATOM 1145 CB GLU A 70 3.111 8.978 -10.950 1.00 1.51 C ATOM 1146 CG GLU A 70 1.941 9.932 -11.049 1.00 61.04 C ATOM 1147 CD GLU A 70 1.682 10.383 -12.447 1.00 72.24 C ATOM 1148 OE1 GLU A 70 2.385 11.289 -12.927 1.00 34.13 O ATOM 1149 OE2 GLU A 70 0.762 9.832 -13.098 1.00 33.42 O ATOM 0 H GLU A 70 3.776 10.394 -9.024 1.00 73.32 H new ATOM 0 HA GLU A 70 2.372 7.961 -9.235 1.00 3.34 H new ATOM 0 HB2 GLU A 70 4.020 9.491 -11.264 1.00 1.51 H new ATOM 0 HB3 GLU A 70 2.958 8.149 -11.641 1.00 1.51 H new ATOM 0 HG2 GLU A 70 1.047 9.446 -10.657 1.00 61.04 H new ATOM 0 HG3 GLU A 70 2.133 10.802 -10.421 1.00 61.04 H new ATOM 1156 N ASP A 71 5.549 7.635 -9.073 1.00 15.34 N ATOM 1157 CA ASP A 71 6.596 6.600 -8.995 1.00 63.24 C ATOM 1158 C ASP A 71 6.191 5.598 -7.927 1.00 42.43 C ATOM 1159 O ASP A 71 6.200 4.378 -8.146 1.00 42.45 O ATOM 1160 CB ASP A 71 7.971 7.214 -8.667 1.00 50.11 C ATOM 1161 CG ASP A 71 9.127 6.220 -8.745 1.00 33.53 C ATOM 1162 OD1 ASP A 71 9.301 5.406 -7.837 1.00 42.10 O ATOM 1163 OD2 ASP A 71 9.924 6.287 -9.711 1.00 42.41 O ATOM 0 H ASP A 71 5.837 8.563 -8.763 1.00 15.34 H new ATOM 0 HA ASP A 71 6.691 6.106 -9.962 1.00 63.24 H new ATOM 0 HB2 ASP A 71 8.165 8.036 -9.356 1.00 50.11 H new ATOM 0 HB3 ASP A 71 7.938 7.640 -7.664 1.00 50.11 H new ATOM 1168 N LEU A 72 5.736 6.143 -6.808 1.00 44.54 N ATOM 1169 CA LEU A 72 5.254 5.360 -5.690 1.00 41.41 C ATOM 1170 C LEU A 72 4.008 4.577 -6.089 1.00 2.41 C ATOM 1171 O LEU A 72 3.889 3.397 -5.800 1.00 43.02 O ATOM 1172 CB LEU A 72 4.913 6.273 -4.497 1.00 52.22 C ATOM 1173 CG LEU A 72 6.066 7.070 -3.873 1.00 14.51 C ATOM 1174 CD1 LEU A 72 5.551 7.975 -2.773 1.00 22.11 C ATOM 1175 CD2 LEU A 72 7.114 6.135 -3.308 1.00 54.43 C ATOM 0 H LEU A 72 5.693 7.150 -6.654 1.00 44.54 H new ATOM 0 HA LEU A 72 6.043 4.666 -5.400 1.00 41.41 H new ATOM 0 HB2 LEU A 72 4.149 6.980 -4.820 1.00 52.22 H new ATOM 0 HB3 LEU A 72 4.467 5.657 -3.716 1.00 52.22 H new ATOM 0 HG LEU A 72 6.517 7.680 -4.656 1.00 14.51 H new ATOM 0 HD11 LEU A 72 6.382 8.533 -2.342 1.00 22.11 H new ATOM 0 HD12 LEU A 72 4.822 8.672 -3.187 1.00 22.11 H new ATOM 0 HD13 LEU A 72 5.077 7.372 -1.998 1.00 22.11 H new ATOM 0 HD21 LEU A 72 7.924 6.718 -2.870 1.00 54.43 H new ATOM 0 HD22 LEU A 72 6.664 5.505 -2.541 1.00 54.43 H new ATOM 0 HD23 LEU A 72 7.510 5.507 -4.106 1.00 54.43 H new ATOM 1187 N LEU A 73 3.117 5.238 -6.807 1.00 24.35 N ATOM 1188 CA LEU A 73 1.821 4.663 -7.181 1.00 72.41 C ATOM 1189 C LEU A 73 1.977 3.570 -8.236 1.00 63.04 C ATOM 1190 O LEU A 73 1.310 2.526 -8.173 1.00 25.24 O ATOM 1191 CB LEU A 73 0.873 5.753 -7.726 1.00 74.24 C ATOM 1192 CG LEU A 73 0.577 6.960 -6.818 1.00 51.22 C ATOM 1193 CD1 LEU A 73 -0.344 7.950 -7.506 1.00 22.34 C ATOM 1194 CD2 LEU A 73 -0.013 6.538 -5.490 1.00 2.12 C ATOM 0 H LEU A 73 3.264 6.187 -7.150 1.00 24.35 H new ATOM 0 HA LEU A 73 1.395 4.225 -6.278 1.00 72.41 H new ATOM 0 HB2 LEU A 73 1.295 6.129 -8.658 1.00 74.24 H new ATOM 0 HB3 LEU A 73 -0.076 5.279 -7.974 1.00 74.24 H new ATOM 0 HG LEU A 73 1.532 7.447 -6.621 1.00 51.22 H new ATOM 0 HD11 LEU A 73 -0.535 8.792 -6.841 1.00 22.34 H new ATOM 0 HD12 LEU A 73 0.127 8.310 -8.421 1.00 22.34 H new ATOM 0 HD13 LEU A 73 -1.286 7.460 -7.752 1.00 22.34 H new ATOM 0 HD21 LEU A 73 -0.206 7.421 -4.881 1.00 2.12 H new ATOM 0 HD22 LEU A 73 -0.947 6.003 -5.660 1.00 2.12 H new ATOM 0 HD23 LEU A 73 0.689 5.886 -4.971 1.00 2.12 H new ATOM 1206 N SER A 74 2.862 3.799 -9.183 1.00 72.21 N ATOM 1207 CA SER A 74 3.060 2.892 -10.287 1.00 35.22 C ATOM 1208 C SER A 74 3.668 1.567 -9.809 1.00 55.54 C ATOM 1209 O SER A 74 3.163 0.484 -10.146 1.00 63.52 O ATOM 1210 CB SER A 74 3.938 3.554 -11.365 1.00 4.14 C ATOM 1211 OG SER A 74 3.919 2.830 -12.588 1.00 3.22 O ATOM 0 H SER A 74 3.464 4.622 -9.206 1.00 72.21 H new ATOM 0 HA SER A 74 2.090 2.664 -10.728 1.00 35.22 H new ATOM 0 HB2 SER A 74 3.590 4.572 -11.541 1.00 4.14 H new ATOM 0 HB3 SER A 74 4.964 3.626 -11.003 1.00 4.14 H new ATOM 0 HG SER A 74 4.487 3.284 -13.246 1.00 3.22 H new ATOM 1217 N GLU A 75 4.701 1.633 -8.986 1.00 63.00 N ATOM 1218 CA GLU A 75 5.346 0.411 -8.531 1.00 44.13 C ATOM 1219 C GLU A 75 4.656 -0.199 -7.317 1.00 20.24 C ATOM 1220 O GLU A 75 4.957 -1.326 -6.913 1.00 25.13 O ATOM 1221 CB GLU A 75 6.835 0.609 -8.322 1.00 23.32 C ATOM 1222 CG GLU A 75 7.565 0.939 -9.615 1.00 31.11 C ATOM 1223 CD GLU A 75 7.366 -0.126 -10.677 1.00 41.40 C ATOM 1224 OE1 GLU A 75 8.131 -1.113 -10.695 1.00 34.21 O ATOM 1225 OE2 GLU A 75 6.446 0.004 -11.518 1.00 51.35 O ATOM 0 H GLU A 75 5.104 2.498 -8.626 1.00 63.00 H new ATOM 0 HA GLU A 75 5.236 -0.322 -9.330 1.00 44.13 H new ATOM 0 HB2 GLU A 75 6.994 1.413 -7.603 1.00 23.32 H new ATOM 0 HB3 GLU A 75 7.261 -0.296 -7.888 1.00 23.32 H new ATOM 0 HG2 GLU A 75 7.212 1.898 -9.995 1.00 31.11 H new ATOM 0 HG3 GLU A 75 8.630 1.050 -9.410 1.00 31.11 H new ATOM 1232 N PHE A 76 3.700 0.530 -6.770 1.00 24.15 N ATOM 1233 CA PHE A 76 2.869 0.051 -5.668 1.00 71.25 C ATOM 1234 C PHE A 76 2.135 -1.214 -6.112 1.00 54.13 C ATOM 1235 O PHE A 76 2.083 -2.211 -5.390 1.00 61.44 O ATOM 1236 CB PHE A 76 1.865 1.158 -5.275 1.00 71.45 C ATOM 1237 CG PHE A 76 0.884 0.806 -4.196 1.00 4.54 C ATOM 1238 CD1 PHE A 76 1.241 0.882 -2.864 1.00 33.42 C ATOM 1239 CD2 PHE A 76 -0.399 0.404 -4.522 1.00 31.31 C ATOM 1240 CE1 PHE A 76 0.335 0.560 -1.871 1.00 74.32 C ATOM 1241 CE2 PHE A 76 -1.311 0.079 -3.541 1.00 52.12 C ATOM 1242 CZ PHE A 76 -0.944 0.156 -2.211 1.00 40.24 C ATOM 0 H PHE A 76 3.473 1.476 -7.076 1.00 24.15 H new ATOM 0 HA PHE A 76 3.485 -0.187 -4.801 1.00 71.25 H new ATOM 0 HB2 PHE A 76 2.428 2.034 -4.954 1.00 71.45 H new ATOM 0 HB3 PHE A 76 1.307 1.447 -6.165 1.00 71.45 H new ATOM 0 HD1 PHE A 76 2.239 1.196 -2.595 1.00 33.42 H new ATOM 0 HD2 PHE A 76 -0.690 0.344 -5.560 1.00 31.31 H new ATOM 0 HE1 PHE A 76 0.625 0.624 -0.832 1.00 74.32 H new ATOM 0 HE2 PHE A 76 -2.309 -0.235 -3.811 1.00 52.12 H new ATOM 0 HZ PHE A 76 -1.654 -0.099 -1.438 1.00 40.24 H new ATOM 1252 N GLY A 77 1.652 -1.188 -7.346 1.00 12.33 N ATOM 1253 CA GLY A 77 0.922 -2.312 -7.897 1.00 71.33 C ATOM 1254 C GLY A 77 1.825 -3.485 -8.229 1.00 33.15 C ATOM 1255 O GLY A 77 1.348 -4.579 -8.531 1.00 53.15 O ATOM 0 H GLY A 77 1.755 -0.398 -7.983 1.00 12.33 H new ATOM 0 HA2 GLY A 77 0.163 -2.633 -7.184 1.00 71.33 H new ATOM 0 HA3 GLY A 77 0.398 -1.994 -8.799 1.00 71.33 H new ATOM 1259 N GLN A 78 3.120 -3.254 -8.203 1.00 23.24 N ATOM 1260 CA GLN A 78 4.085 -4.297 -8.461 1.00 53.43 C ATOM 1261 C GLN A 78 4.424 -5.004 -7.170 1.00 72.35 C ATOM 1262 O GLN A 78 4.484 -6.238 -7.121 1.00 42.51 O ATOM 1263 CB GLN A 78 5.352 -3.732 -9.106 1.00 52.42 C ATOM 1264 CG GLN A 78 5.167 -3.166 -10.506 1.00 62.33 C ATOM 1265 CD GLN A 78 4.787 -4.215 -11.546 1.00 54.11 C ATOM 1266 OE1 GLN A 78 4.133 -5.210 -11.254 1.00 31.04 O ATOM 1267 NE2 GLN A 78 5.192 -3.998 -12.763 1.00 54.32 N ATOM 0 H GLN A 78 3.531 -2.342 -8.003 1.00 23.24 H new ATOM 0 HA GLN A 78 3.646 -5.009 -9.160 1.00 53.43 H new ATOM 0 HB2 GLN A 78 5.749 -2.946 -8.463 1.00 52.42 H new ATOM 0 HB3 GLN A 78 6.103 -4.521 -9.146 1.00 52.42 H new ATOM 0 HG2 GLN A 78 4.394 -2.398 -10.479 1.00 62.33 H new ATOM 0 HG3 GLN A 78 6.091 -2.678 -10.816 1.00 62.33 H new ATOM 0 HE21 GLN A 78 5.735 -3.162 -12.978 1.00 54.32 H new ATOM 0 HE22 GLN A 78 4.967 -4.664 -13.502 1.00 54.32 H new ATOM 1276 N PHE A 79 4.628 -4.221 -6.116 1.00 55.04 N ATOM 1277 CA PHE A 79 4.933 -4.771 -4.808 1.00 1.33 C ATOM 1278 C PHE A 79 3.749 -5.547 -4.259 1.00 72.54 C ATOM 1279 O PHE A 79 3.912 -6.638 -3.691 1.00 71.04 O ATOM 1280 CB PHE A 79 5.350 -3.672 -3.812 1.00 30.01 C ATOM 1281 CG PHE A 79 5.579 -4.200 -2.407 1.00 4.45 C ATOM 1282 CD1 PHE A 79 6.549 -5.165 -2.158 1.00 55.01 C ATOM 1283 CD2 PHE A 79 4.812 -3.743 -1.344 1.00 55.54 C ATOM 1284 CE1 PHE A 79 6.746 -5.662 -0.884 1.00 24.23 C ATOM 1285 CE2 PHE A 79 5.009 -4.236 -0.066 1.00 64.01 C ATOM 1286 CZ PHE A 79 5.975 -5.197 0.162 1.00 25.24 C ATOM 0 H PHE A 79 4.587 -3.202 -6.146 1.00 55.04 H new ATOM 0 HA PHE A 79 5.775 -5.452 -4.933 1.00 1.33 H new ATOM 0 HB2 PHE A 79 6.263 -3.194 -4.168 1.00 30.01 H new ATOM 0 HB3 PHE A 79 4.578 -2.903 -3.784 1.00 30.01 H new ATOM 0 HD1 PHE A 79 7.157 -5.531 -2.972 1.00 55.01 H new ATOM 0 HD2 PHE A 79 4.053 -2.994 -1.516 1.00 55.54 H new ATOM 0 HE1 PHE A 79 7.502 -6.413 -0.707 1.00 24.23 H new ATOM 0 HE2 PHE A 79 4.408 -3.870 0.753 1.00 64.01 H new ATOM 0 HZ PHE A 79 6.127 -5.584 1.159 1.00 25.24 H new ATOM 1296 N LEU A 80 2.570 -5.002 -4.428 1.00 30.55 N ATOM 1297 CA LEU A 80 1.386 -5.642 -3.922 1.00 41.44 C ATOM 1298 C LEU A 80 1.062 -6.970 -4.566 1.00 15.35 C ATOM 1299 O LEU A 80 1.323 -7.185 -5.749 1.00 5.23 O ATOM 1300 CB LEU A 80 0.176 -4.732 -3.856 1.00 64.33 C ATOM 1301 CG LEU A 80 0.043 -3.976 -2.551 1.00 60.53 C ATOM 1302 CD1 LEU A 80 1.011 -2.829 -2.446 1.00 33.33 C ATOM 1303 CD2 LEU A 80 -1.380 -3.579 -2.318 1.00 34.42 C ATOM 0 H LEU A 80 2.407 -4.119 -4.911 1.00 30.55 H new ATOM 0 HA LEU A 80 1.652 -5.876 -2.891 1.00 41.44 H new ATOM 0 HB2 LEU A 80 0.229 -4.015 -4.675 1.00 64.33 H new ATOM 0 HB3 LEU A 80 -0.723 -5.328 -4.012 1.00 64.33 H new ATOM 0 HG LEU A 80 0.323 -4.649 -1.741 1.00 60.53 H new ATOM 0 HD11 LEU A 80 0.872 -2.322 -1.491 1.00 33.33 H new ATOM 0 HD12 LEU A 80 2.031 -3.207 -2.511 1.00 33.33 H new ATOM 0 HD13 LEU A 80 0.832 -2.126 -3.260 1.00 33.33 H new ATOM 0 HD21 LEU A 80 -1.457 -3.037 -1.376 1.00 34.42 H new ATOM 0 HD22 LEU A 80 -1.717 -2.939 -3.133 1.00 34.42 H new ATOM 0 HD23 LEU A 80 -2.004 -4.471 -2.275 1.00 34.42 H new ATOM 1315 N PRO A 81 0.483 -7.878 -3.765 1.00 43.01 N ATOM 1316 CA PRO A 81 0.159 -9.244 -4.176 1.00 15.02 C ATOM 1317 C PRO A 81 -0.802 -9.324 -5.359 1.00 30.51 C ATOM 1318 O PRO A 81 -1.951 -8.883 -5.263 1.00 72.31 O ATOM 1319 CB PRO A 81 -0.505 -9.851 -2.926 1.00 23.42 C ATOM 1320 CG PRO A 81 -0.937 -8.679 -2.113 1.00 72.22 C ATOM 1321 CD PRO A 81 0.074 -7.631 -2.359 1.00 35.33 C ATOM 0 HA PRO A 81 1.055 -9.764 -4.515 1.00 15.02 H new ATOM 0 HB2 PRO A 81 -1.354 -10.479 -3.195 1.00 23.42 H new ATOM 0 HB3 PRO A 81 0.194 -10.479 -2.373 1.00 23.42 H new ATOM 0 HG2 PRO A 81 -1.931 -8.342 -2.408 1.00 72.22 H new ATOM 0 HG3 PRO A 81 -0.988 -8.934 -1.054 1.00 72.22 H new ATOM 0 HD2 PRO A 81 -0.342 -6.632 -2.230 1.00 35.33 H new ATOM 0 HD3 PRO A 81 0.917 -7.716 -1.673 1.00 35.33 H new ATOM 1329 N GLU A 82 -0.288 -9.855 -6.482 1.00 32.24 N ATOM 1330 CA GLU A 82 -1.048 -10.193 -7.717 1.00 3.52 C ATOM 1331 C GLU A 82 -2.047 -9.118 -8.182 1.00 4.44 C ATOM 1332 O GLU A 82 -3.083 -9.431 -8.775 1.00 61.10 O ATOM 1333 CB GLU A 82 -1.730 -11.570 -7.588 1.00 54.04 C ATOM 1334 CG GLU A 82 -2.745 -11.701 -6.461 1.00 34.44 C ATOM 1335 CD GLU A 82 -3.349 -13.053 -6.429 1.00 45.42 C ATOM 1336 OE1 GLU A 82 -4.208 -13.340 -7.274 1.00 12.51 O ATOM 1337 OE2 GLU A 82 -2.931 -13.890 -5.610 1.00 5.30 O ATOM 0 H GLU A 82 0.705 -10.072 -6.566 1.00 32.24 H new ATOM 0 HA GLU A 82 -0.298 -10.235 -8.506 1.00 3.52 H new ATOM 0 HB2 GLU A 82 -2.229 -11.797 -8.530 1.00 54.04 H new ATOM 0 HB3 GLU A 82 -0.957 -12.326 -7.446 1.00 54.04 H new ATOM 0 HG2 GLU A 82 -2.259 -11.496 -5.507 1.00 34.44 H new ATOM 0 HG3 GLU A 82 -3.529 -10.954 -6.587 1.00 34.44 H new ATOM 1344 N ALA A 83 -1.692 -7.867 -8.000 1.00 14.45 N ATOM 1345 CA ALA A 83 -2.551 -6.751 -8.389 1.00 62.34 C ATOM 1346 C ALA A 83 -2.693 -6.688 -9.912 1.00 11.51 C ATOM 1347 O ALA A 83 -3.700 -6.223 -10.449 1.00 12.52 O ATOM 1348 CB ALA A 83 -1.988 -5.442 -7.849 1.00 23.42 C ATOM 0 H ALA A 83 -0.806 -7.586 -7.581 1.00 14.45 H new ATOM 0 HA ALA A 83 -3.541 -6.907 -7.961 1.00 62.34 H new ATOM 0 HB1 ALA A 83 -2.636 -4.617 -8.145 1.00 23.42 H new ATOM 0 HB2 ALA A 83 -1.935 -5.490 -6.761 1.00 23.42 H new ATOM 0 HB3 ALA A 83 -0.989 -5.281 -8.254 1.00 23.42 H new ATOM 1354 N LYS A 84 -1.690 -7.203 -10.591 1.00 21.24 N ATOM 1355 CA LYS A 84 -1.644 -7.217 -12.039 1.00 62.22 C ATOM 1356 C LYS A 84 -2.487 -8.349 -12.631 1.00 31.04 C ATOM 1357 O LYS A 84 -2.834 -8.315 -13.815 1.00 63.41 O ATOM 1358 CB LYS A 84 -0.201 -7.375 -12.486 1.00 4.14 C ATOM 1359 CG LYS A 84 0.721 -6.277 -11.991 1.00 21.31 C ATOM 1360 CD LYS A 84 0.387 -4.937 -12.623 1.00 25.43 C ATOM 1361 CE LYS A 84 1.334 -3.848 -12.157 1.00 10.04 C ATOM 1362 NZ LYS A 84 1.031 -2.548 -12.781 1.00 71.23 N ATOM 0 H LYS A 84 -0.875 -7.628 -10.149 1.00 21.24 H new ATOM 0 HA LYS A 84 -2.059 -6.275 -12.398 1.00 62.22 H new ATOM 0 HB2 LYS A 84 0.174 -8.336 -12.135 1.00 4.14 H new ATOM 0 HB3 LYS A 84 -0.169 -7.399 -13.575 1.00 4.14 H new ATOM 0 HG2 LYS A 84 0.643 -6.198 -10.907 1.00 21.31 H new ATOM 0 HG3 LYS A 84 1.754 -6.539 -12.218 1.00 21.31 H new ATOM 0 HD2 LYS A 84 0.437 -5.023 -13.708 1.00 25.43 H new ATOM 0 HD3 LYS A 84 -0.637 -4.661 -12.372 1.00 25.43 H new ATOM 0 HE2 LYS A 84 1.272 -3.753 -11.073 1.00 10.04 H new ATOM 0 HE3 LYS A 84 2.359 -4.133 -12.394 1.00 10.04 H new ATOM 0 HZ1 LYS A 84 1.702 -1.832 -12.435 1.00 71.23 H new ATOM 0 HZ2 LYS A 84 1.115 -2.631 -13.814 1.00 71.23 H new ATOM 0 HZ3 LYS A 84 0.062 -2.262 -12.535 1.00 71.23 H new ATOM 1376 N ARG A 85 -2.827 -9.338 -11.818 1.00 73.35 N ATOM 1377 CA ARG A 85 -3.583 -10.492 -12.323 1.00 14.42 C ATOM 1378 C ARG A 85 -5.004 -10.065 -12.697 1.00 32.14 C ATOM 1379 O ARG A 85 -5.611 -9.223 -12.006 1.00 74.32 O ATOM 1380 CB ARG A 85 -3.666 -11.636 -11.300 1.00 44.13 C ATOM 1381 CG ARG A 85 -4.019 -12.972 -11.952 1.00 73.04 C ATOM 1382 CD ARG A 85 -4.504 -14.042 -10.974 1.00 15.12 C ATOM 1383 NE ARG A 85 -3.667 -14.223 -9.775 1.00 34.43 N ATOM 1384 CZ ARG A 85 -2.838 -15.257 -9.543 1.00 11.04 C ATOM 1385 NH1 ARG A 85 -2.431 -16.035 -10.536 1.00 1.05 N ATOM 1386 NH2 ARG A 85 -2.395 -15.474 -8.314 1.00 20.12 N ATOM 0 H ARG A 85 -2.601 -9.373 -10.824 1.00 73.35 H new ATOM 0 HA ARG A 85 -3.047 -10.859 -13.199 1.00 14.42 H new ATOM 0 HB2 ARG A 85 -2.711 -11.728 -10.783 1.00 44.13 H new ATOM 0 HB3 ARG A 85 -4.415 -11.393 -10.546 1.00 44.13 H new ATOM 0 HG2 ARG A 85 -4.793 -12.804 -12.701 1.00 73.04 H new ATOM 0 HG3 ARG A 85 -3.142 -13.349 -12.479 1.00 73.04 H new ATOM 0 HD2 ARG A 85 -5.516 -13.789 -10.656 1.00 15.12 H new ATOM 0 HD3 ARG A 85 -4.564 -14.994 -11.502 1.00 15.12 H new ATOM 0 HE ARG A 85 -3.721 -13.500 -9.057 1.00 34.43 H new ATOM 0 HH11 ARG A 85 -2.746 -15.853 -11.489 1.00 1.05 H new ATOM 0 HH12 ARG A 85 -1.802 -16.816 -10.347 1.00 1.05 H new ATOM 0 HH21 ARG A 85 -2.683 -14.860 -7.552 1.00 20.12 H new ATOM 0 HH22 ARG A 85 -1.766 -16.256 -8.129 1.00 20.12 H new TER 1400 ARG A 85