USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 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+ -168:sc= -0.0023 (180deg=-0.164) USER MOD Single : A 2 SER OG : rot -9:sc= 0.908 USER MOD Single : A 4 SER OG : rot 142:sc= 0.753 USER MOD Single : A 8 ASN : amide:sc=-0.00445 X(o=-0.0044,f=0) USER MOD Single : A 9 ASN : amide:sc= 0.933 K(o=0.93,f=0) USER MOD Single : A 12 SER OG : rot 70:sc= 1.01 USER MOD Single : A 13 TYR OH : rot 41:sc= 0.954 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.04) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 84:sc= 1.25 USER MOD Single : A 36 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.2!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0.00529 USER MOD Single : A 39 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.27) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -102:sc= 0.558 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -152:sc= -4.75! (180deg=-10.8!) USER MOD Single : A 54 SER OG : rot 83:sc= 0.149 USER MOD Single : A 60 THR OG1 : rot 71:sc= 0.649 USER MOD Single : A 64 ASN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 74 SER OG : rot 71:sc= 0.64 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.816 -13.806 8.538 1.00 13.31 N ATOM 2 CA GLU A 1 13.789 -12.840 9.004 1.00 3.32 C ATOM 3 C GLU A 1 15.193 -13.227 8.589 1.00 71.34 C ATOM 4 O GLU A 1 15.823 -14.102 9.180 1.00 63.12 O ATOM 5 CB GLU A 1 13.709 -12.664 10.504 1.00 30.51 C ATOM 6 CG GLU A 1 12.414 -12.053 10.980 1.00 13.13 C ATOM 7 CD GLU A 1 12.382 -11.910 12.465 1.00 55.03 C ATOM 8 OE1 GLU A 1 13.240 -11.197 13.022 1.00 71.34 O ATOM 9 OE2 GLU A 1 11.518 -12.531 13.120 1.00 65.24 O ATOM 0 H1 GLU A 1 11.858 -13.419 8.656 1.00 13.31 H new ATOM 0 H2 GLU A 1 12.985 -14.011 7.533 1.00 13.31 H new ATOM 0 H3 GLU A 1 12.905 -14.683 9.090 1.00 13.31 H new ATOM 0 HA GLU A 1 13.549 -11.886 8.535 1.00 3.32 H new ATOM 0 HB2 GLU A 1 13.838 -13.635 10.981 1.00 30.51 H new ATOM 0 HB3 GLU A 1 14.538 -12.036 10.831 1.00 30.51 H new ATOM 0 HG2 GLU A 1 12.282 -11.075 10.518 1.00 13.13 H new ATOM 0 HG3 GLU A 1 11.579 -12.674 10.656 1.00 13.13 H new ATOM 16 N SER A 2 15.629 -12.619 7.530 1.00 41.01 N ATOM 17 CA SER A 2 16.942 -12.780 6.957 1.00 14.10 C ATOM 18 C SER A 2 17.142 -11.568 6.067 1.00 51.22 C ATOM 19 O SER A 2 16.363 -10.596 6.198 1.00 43.21 O ATOM 20 CB SER A 2 17.011 -14.071 6.123 1.00 35.44 C ATOM 21 OG SER A 2 16.724 -15.224 6.908 1.00 5.41 O ATOM 0 H SER A 2 15.051 -11.959 7.009 1.00 41.01 H new ATOM 0 HA SER A 2 17.712 -12.855 7.724 1.00 14.10 H new ATOM 0 HB2 SER A 2 16.303 -14.008 5.297 1.00 35.44 H new ATOM 0 HB3 SER A 2 18.004 -14.168 5.685 1.00 35.44 H new ATOM 0 HG SER A 2 16.677 -14.972 7.854 1.00 5.41 H new ATOM 27 N ASP A 3 18.128 -11.588 5.179 1.00 41.23 N ATOM 28 CA ASP A 3 18.322 -10.466 4.270 1.00 44.04 C ATOM 29 C ASP A 3 17.146 -10.416 3.319 1.00 23.43 C ATOM 30 O ASP A 3 16.689 -11.460 2.814 1.00 23.53 O ATOM 31 CB ASP A 3 19.616 -10.583 3.484 1.00 60.41 C ATOM 32 CG ASP A 3 19.982 -9.285 2.806 1.00 45.34 C ATOM 33 OD1 ASP A 3 20.581 -8.416 3.484 1.00 71.04 O ATOM 34 OD2 ASP A 3 19.689 -9.109 1.610 1.00 72.43 O ATOM 0 H ASP A 3 18.794 -12.353 5.069 1.00 41.23 H new ATOM 0 HA ASP A 3 18.387 -9.550 4.857 1.00 44.04 H new ATOM 0 HB2 ASP A 3 20.422 -10.882 4.154 1.00 60.41 H new ATOM 0 HB3 ASP A 3 19.516 -11.368 2.735 1.00 60.41 H new ATOM 39 N SER A 4 16.661 -9.251 3.086 1.00 73.33 N ATOM 40 CA SER A 4 15.460 -9.067 2.335 1.00 42.15 C ATOM 41 C SER A 4 15.602 -7.924 1.325 1.00 41.23 C ATOM 42 O SER A 4 15.440 -6.746 1.658 1.00 72.35 O ATOM 43 CB SER A 4 14.328 -8.854 3.339 1.00 51.13 C ATOM 44 OG SER A 4 14.674 -7.837 4.287 1.00 73.11 O ATOM 0 H SER A 4 17.087 -8.384 3.413 1.00 73.33 H new ATOM 0 HA SER A 4 15.237 -9.944 1.728 1.00 42.15 H new ATOM 0 HB2 SER A 4 13.417 -8.571 2.812 1.00 51.13 H new ATOM 0 HB3 SER A 4 14.118 -9.788 3.861 1.00 51.13 H new ATOM 0 HG SER A 4 13.882 -7.297 4.492 1.00 73.11 H new ATOM 50 N VAL A 5 15.928 -8.285 0.105 1.00 5.11 N ATOM 51 CA VAL A 5 16.214 -7.343 -0.959 1.00 55.52 C ATOM 52 C VAL A 5 14.953 -6.658 -1.450 1.00 45.04 C ATOM 53 O VAL A 5 14.918 -5.425 -1.615 1.00 32.14 O ATOM 54 CB VAL A 5 16.892 -8.068 -2.137 1.00 63.14 C ATOM 55 CG1 VAL A 5 17.132 -7.130 -3.296 1.00 21.22 C ATOM 56 CG2 VAL A 5 18.183 -8.705 -1.681 1.00 72.24 C ATOM 0 H VAL A 5 16.004 -9.260 -0.184 1.00 5.11 H new ATOM 0 HA VAL A 5 16.883 -6.583 -0.556 1.00 55.52 H new ATOM 0 HB VAL A 5 16.221 -8.852 -2.487 1.00 63.14 H new ATOM 0 HG11 VAL A 5 17.612 -7.673 -4.110 1.00 21.22 H new ATOM 0 HG12 VAL A 5 16.180 -6.726 -3.640 1.00 21.22 H new ATOM 0 HG13 VAL A 5 17.778 -6.313 -2.975 1.00 21.22 H new ATOM 0 HG21 VAL A 5 18.654 -9.215 -2.522 1.00 72.24 H new ATOM 0 HG22 VAL A 5 18.854 -7.935 -1.301 1.00 72.24 H new ATOM 0 HG23 VAL A 5 17.974 -9.426 -0.891 1.00 72.24 H new ATOM 66 N GLU A 6 13.924 -7.437 -1.674 1.00 50.14 N ATOM 67 CA GLU A 6 12.658 -6.897 -2.156 1.00 3.14 C ATOM 68 C GLU A 6 12.081 -5.983 -1.106 1.00 42.53 C ATOM 69 O GLU A 6 11.561 -4.910 -1.403 1.00 74.41 O ATOM 70 CB GLU A 6 11.684 -8.010 -2.476 1.00 1.45 C ATOM 71 CG GLU A 6 12.208 -8.999 -3.484 1.00 4.43 C ATOM 72 CD GLU A 6 11.186 -10.024 -3.837 1.00 60.11 C ATOM 73 OE1 GLU A 6 10.240 -9.695 -4.567 1.00 25.34 O ATOM 74 OE2 GLU A 6 11.281 -11.171 -3.373 1.00 12.31 O ATOM 0 H GLU A 6 13.929 -8.447 -1.533 1.00 50.14 H new ATOM 0 HA GLU A 6 12.836 -6.336 -3.073 1.00 3.14 H new ATOM 0 HB2 GLU A 6 11.435 -8.539 -1.556 1.00 1.45 H new ATOM 0 HB3 GLU A 6 10.759 -7.574 -2.854 1.00 1.45 H new ATOM 0 HG2 GLU A 6 12.518 -8.470 -4.385 1.00 4.43 H new ATOM 0 HG3 GLU A 6 13.094 -9.492 -3.083 1.00 4.43 H new ATOM 81 N PHE A 7 12.240 -6.411 0.121 1.00 72.51 N ATOM 82 CA PHE A 7 11.837 -5.685 1.277 1.00 64.42 C ATOM 83 C PHE A 7 12.618 -4.393 1.358 1.00 40.34 C ATOM 84 O PHE A 7 12.036 -3.387 1.508 1.00 21.24 O ATOM 85 CB PHE A 7 12.083 -6.558 2.479 1.00 30.53 C ATOM 86 CG PHE A 7 11.549 -6.068 3.782 1.00 13.21 C ATOM 87 CD1 PHE A 7 10.194 -6.092 4.032 1.00 74.53 C ATOM 88 CD2 PHE A 7 12.404 -5.613 4.766 1.00 22.20 C ATOM 89 CE1 PHE A 7 9.693 -5.665 5.245 1.00 3.12 C ATOM 90 CE2 PHE A 7 11.918 -5.190 5.982 1.00 54.54 C ATOM 91 CZ PHE A 7 10.559 -5.214 6.225 1.00 73.11 C ATOM 0 H PHE A 7 12.671 -7.309 0.340 1.00 72.51 H new ATOM 0 HA PHE A 7 10.779 -5.427 1.233 1.00 64.42 H new ATOM 0 HB2 PHE A 7 11.651 -7.539 2.281 1.00 30.53 H new ATOM 0 HB3 PHE A 7 13.159 -6.699 2.583 1.00 30.53 H new ATOM 0 HD1 PHE A 7 9.517 -6.449 3.270 1.00 74.53 H new ATOM 0 HD2 PHE A 7 13.467 -5.589 4.579 1.00 22.20 H new ATOM 0 HE1 PHE A 7 8.629 -5.683 5.428 1.00 3.12 H new ATOM 0 HE2 PHE A 7 12.598 -4.840 6.745 1.00 54.54 H new ATOM 0 HZ PHE A 7 10.173 -4.882 7.177 1.00 73.11 H new ATOM 101 N ASN A 8 13.946 -4.446 1.228 1.00 45.35 N ATOM 102 CA ASN A 8 14.810 -3.257 1.242 1.00 13.12 C ATOM 103 C ASN A 8 14.349 -2.220 0.218 1.00 53.21 C ATOM 104 O ASN A 8 14.307 -1.017 0.496 1.00 35.44 O ATOM 105 CB ASN A 8 16.186 -3.666 0.843 1.00 24.03 C ATOM 106 CG ASN A 8 17.227 -2.880 1.514 1.00 34.24 C ATOM 107 OD1 ASN A 8 17.631 -1.804 1.061 1.00 24.32 O ATOM 108 ND2 ASN A 8 17.710 -3.436 2.554 1.00 21.32 N ATOM 0 H ASN A 8 14.458 -5.320 1.109 1.00 45.35 H new ATOM 0 HA ASN A 8 14.774 -2.829 2.244 1.00 13.12 H new ATOM 0 HB2 ASN A 8 16.328 -4.722 1.074 1.00 24.03 H new ATOM 0 HB3 ASN A 8 16.294 -3.558 -0.236 1.00 24.03 H new ATOM 0 HD21 ASN A 8 18.474 -2.991 3.062 1.00 21.32 H new ATOM 0 HD22 ASN A 8 17.332 -4.326 2.878 1.00 21.32 H new ATOM 115 N ASN A 9 14.033 -2.691 -0.974 1.00 65.13 N ATOM 116 CA ASN A 9 13.517 -1.812 -2.036 1.00 73.51 C ATOM 117 C ASN A 9 12.183 -1.240 -1.638 1.00 61.31 C ATOM 118 O ASN A 9 11.914 -0.054 -1.835 1.00 51.34 O ATOM 119 CB ASN A 9 13.426 -2.518 -3.395 1.00 13.21 C ATOM 120 CG ASN A 9 14.783 -2.661 -4.073 1.00 21.53 C ATOM 121 OD1 ASN A 9 15.214 -1.775 -4.825 1.00 33.22 O ATOM 122 ND2 ASN A 9 15.468 -3.750 -3.824 1.00 74.44 N ATOM 0 H ASN A 9 14.120 -3.671 -1.242 1.00 65.13 H new ATOM 0 HA ASN A 9 14.232 -0.998 -2.156 1.00 73.51 H new ATOM 0 HB2 ASN A 9 12.986 -3.506 -3.258 1.00 13.21 H new ATOM 0 HB3 ASN A 9 12.755 -1.958 -4.047 1.00 13.21 H new ATOM 0 HD21 ASN A 9 16.383 -3.886 -4.254 1.00 74.44 H new ATOM 0 HD22 ASN A 9 15.086 -4.461 -3.200 1.00 74.44 H new ATOM 129 N ALA A 10 11.372 -2.071 -1.030 1.00 41.52 N ATOM 130 CA ALA A 10 10.107 -1.650 -0.490 1.00 63.13 C ATOM 131 C ALA A 10 10.340 -0.629 0.631 1.00 44.24 C ATOM 132 O ALA A 10 9.621 0.344 0.743 1.00 62.11 O ATOM 133 CB ALA A 10 9.335 -2.859 0.019 1.00 42.32 C ATOM 0 H ALA A 10 11.574 -3.062 -0.896 1.00 41.52 H new ATOM 0 HA ALA A 10 9.514 -1.173 -1.270 1.00 63.13 H new ATOM 0 HB1 ALA A 10 8.378 -2.534 0.427 1.00 42.32 H new ATOM 0 HB2 ALA A 10 9.162 -3.553 -0.804 1.00 42.32 H new ATOM 0 HB3 ALA A 10 9.911 -3.357 0.799 1.00 42.32 H new ATOM 139 N ILE A 11 11.385 -0.848 1.427 1.00 1.11 N ATOM 140 CA ILE A 11 11.755 0.058 2.508 1.00 44.15 C ATOM 141 C ILE A 11 12.133 1.405 1.947 1.00 1.54 C ATOM 142 O ILE A 11 11.750 2.427 2.474 1.00 1.02 O ATOM 143 CB ILE A 11 12.952 -0.443 3.355 1.00 70.45 C ATOM 144 CG1 ILE A 11 12.691 -1.837 3.914 1.00 13.21 C ATOM 145 CG2 ILE A 11 13.228 0.533 4.496 1.00 1.22 C ATOM 146 CD1 ILE A 11 11.311 -2.084 4.464 1.00 55.44 C ATOM 0 H ILE A 11 11.998 -1.659 1.339 1.00 1.11 H new ATOM 0 HA ILE A 11 10.879 0.116 3.154 1.00 44.15 H new ATOM 0 HB ILE A 11 13.825 -0.498 2.705 1.00 70.45 H new ATOM 0 HG12 ILE A 11 12.880 -2.564 3.124 1.00 13.21 H new ATOM 0 HG13 ILE A 11 13.415 -2.030 4.705 1.00 13.21 H new ATOM 0 HG21 ILE A 11 14.071 0.173 5.086 1.00 1.22 H new ATOM 0 HG22 ILE A 11 13.465 1.515 4.086 1.00 1.22 H new ATOM 0 HG23 ILE A 11 12.346 0.609 5.132 1.00 1.22 H new ATOM 0 HD11 ILE A 11 11.244 -3.108 4.832 1.00 55.44 H new ATOM 0 HD12 ILE A 11 11.116 -1.391 5.282 1.00 55.44 H new ATOM 0 HD13 ILE A 11 10.573 -1.933 3.676 1.00 55.44 H new ATOM 158 N SER A 12 12.874 1.381 0.864 1.00 34.22 N ATOM 159 CA SER A 12 13.320 2.588 0.196 1.00 41.41 C ATOM 160 C SER A 12 12.105 3.389 -0.275 1.00 61.52 C ATOM 161 O SER A 12 12.055 4.619 -0.124 1.00 75.12 O ATOM 162 CB SER A 12 14.222 2.209 -0.974 1.00 12.42 C ATOM 163 OG SER A 12 15.307 1.381 -0.525 1.00 60.44 O ATOM 0 H SER A 12 13.188 0.520 0.416 1.00 34.22 H new ATOM 0 HA SER A 12 13.891 3.212 0.883 1.00 41.41 H new ATOM 0 HB2 SER A 12 13.643 1.681 -1.731 1.00 12.42 H new ATOM 0 HB3 SER A 12 14.615 3.110 -1.445 1.00 12.42 H new ATOM 0 HG SER A 12 14.962 0.500 -0.270 1.00 60.44 H new ATOM 169 N TYR A 13 11.129 2.669 -0.797 1.00 5.02 N ATOM 170 CA TYR A 13 9.856 3.221 -1.194 1.00 0.54 C ATOM 171 C TYR A 13 9.126 3.803 0.021 1.00 71.43 C ATOM 172 O TYR A 13 8.684 4.949 -0.007 1.00 43.02 O ATOM 173 CB TYR A 13 9.027 2.123 -1.873 1.00 5.30 C ATOM 174 CG TYR A 13 7.565 2.435 -2.067 1.00 64.41 C ATOM 175 CD1 TYR A 13 7.156 3.501 -2.838 1.00 5.52 C ATOM 176 CD2 TYR A 13 6.589 1.645 -1.470 1.00 32.22 C ATOM 177 CE1 TYR A 13 5.824 3.772 -3.013 1.00 0.13 C ATOM 178 CE2 TYR A 13 5.251 1.909 -1.648 1.00 4.44 C ATOM 179 CZ TYR A 13 4.875 2.975 -2.421 1.00 5.03 C ATOM 180 OH TYR A 13 3.544 3.247 -2.617 1.00 2.22 O ATOM 0 H TYR A 13 11.205 1.665 -0.958 1.00 5.02 H new ATOM 0 HA TYR A 13 10.009 4.035 -1.903 1.00 0.54 H new ATOM 0 HB2 TYR A 13 9.467 1.911 -2.847 1.00 5.30 H new ATOM 0 HB3 TYR A 13 9.110 1.212 -1.281 1.00 5.30 H new ATOM 0 HD1 TYR A 13 7.895 4.131 -3.311 1.00 5.52 H new ATOM 0 HD2 TYR A 13 6.887 0.809 -0.855 1.00 32.22 H new ATOM 0 HE1 TYR A 13 5.520 4.614 -3.618 1.00 0.13 H new ATOM 0 HE2 TYR A 13 4.505 1.282 -1.183 1.00 4.44 H new ATOM 0 HH TYR A 13 3.397 3.504 -3.551 1.00 2.22 H new ATOM 190 N VAL A 14 9.028 3.016 1.082 1.00 74.42 N ATOM 191 CA VAL A 14 8.367 3.446 2.300 1.00 62.12 C ATOM 192 C VAL A 14 9.047 4.671 2.892 1.00 60.10 C ATOM 193 O VAL A 14 8.383 5.641 3.211 1.00 35.30 O ATOM 194 CB VAL A 14 8.265 2.319 3.368 1.00 60.31 C ATOM 195 CG1 VAL A 14 7.648 2.857 4.653 1.00 21.42 C ATOM 196 CG2 VAL A 14 7.426 1.162 2.844 1.00 11.35 C ATOM 0 H VAL A 14 9.402 2.068 1.121 1.00 74.42 H new ATOM 0 HA VAL A 14 7.349 3.708 2.013 1.00 62.12 H new ATOM 0 HB VAL A 14 9.272 1.960 3.580 1.00 60.31 H new ATOM 0 HG11 VAL A 14 7.584 2.056 5.389 1.00 21.42 H new ATOM 0 HG12 VAL A 14 8.269 3.662 5.046 1.00 21.42 H new ATOM 0 HG13 VAL A 14 6.649 3.239 4.445 1.00 21.42 H new ATOM 0 HG21 VAL A 14 7.365 0.383 3.604 1.00 11.35 H new ATOM 0 HG22 VAL A 14 6.423 1.518 2.608 1.00 11.35 H new ATOM 0 HG23 VAL A 14 7.888 0.756 1.944 1.00 11.35 H new ATOM 206 N ASN A 15 10.369 4.635 3.010 1.00 30.04 N ATOM 207 CA ASN A 15 11.147 5.719 3.536 1.00 60.33 C ATOM 208 C ASN A 15 10.923 6.992 2.733 1.00 21.13 C ATOM 209 O ASN A 15 10.850 8.098 3.292 1.00 33.42 O ATOM 210 CB ASN A 15 12.584 5.335 3.447 1.00 72.43 C ATOM 211 CG ASN A 15 13.472 6.305 4.120 1.00 0.50 C ATOM 212 OD1 ASN A 15 13.112 6.934 5.127 1.00 33.22 O ATOM 213 ND2 ASN A 15 14.606 6.467 3.579 1.00 3.20 N ATOM 0 H ASN A 15 10.929 3.829 2.733 1.00 30.04 H new ATOM 0 HA ASN A 15 10.850 5.910 4.567 1.00 60.33 H new ATOM 0 HB2 ASN A 15 12.722 4.350 3.894 1.00 72.43 H new ATOM 0 HB3 ASN A 15 12.870 5.252 2.399 1.00 72.43 H new ATOM 0 HD21 ASN A 15 15.267 7.138 3.971 1.00 3.20 H new ATOM 0 HD22 ASN A 15 14.858 5.927 2.751 1.00 3.20 H new ATOM 220 N LYS A 16 10.792 6.824 1.432 1.00 31.10 N ATOM 221 CA LYS A 16 10.544 7.914 0.540 1.00 20.01 C ATOM 222 C LYS A 16 9.203 8.551 0.899 1.00 44.42 C ATOM 223 O LYS A 16 9.100 9.761 0.991 1.00 12.31 O ATOM 224 CB LYS A 16 10.545 7.396 -0.887 1.00 70.23 C ATOM 225 CG LYS A 16 10.499 8.448 -1.944 1.00 2.32 C ATOM 226 CD LYS A 16 10.536 7.800 -3.304 1.00 65.14 C ATOM 227 CE LYS A 16 10.717 8.831 -4.403 1.00 12.31 C ATOM 228 NZ LYS A 16 10.773 8.219 -5.752 1.00 73.33 N ATOM 0 H LYS A 16 10.857 5.916 0.971 1.00 31.10 H new ATOM 0 HA LYS A 16 11.322 8.672 0.630 1.00 20.01 H new ATOM 0 HB2 LYS A 16 11.440 6.792 -1.037 1.00 70.23 H new ATOM 0 HB3 LYS A 16 9.688 6.735 -1.017 1.00 70.23 H new ATOM 0 HG2 LYS A 16 9.593 9.044 -1.839 1.00 2.32 H new ATOM 0 HG3 LYS A 16 11.343 9.128 -1.831 1.00 2.32 H new ATOM 0 HD2 LYS A 16 11.351 7.078 -3.343 1.00 65.14 H new ATOM 0 HD3 LYS A 16 9.612 7.247 -3.471 1.00 65.14 H new ATOM 0 HE2 LYS A 16 9.895 9.545 -4.366 1.00 12.31 H new ATOM 0 HE3 LYS A 16 11.634 9.391 -4.223 1.00 12.31 H new ATOM 0 HZ1 LYS A 16 10.999 8.951 -6.456 1.00 73.33 H new ATOM 0 HZ2 LYS A 16 11.508 7.483 -5.769 1.00 73.33 H new ATOM 0 HZ3 LYS A 16 9.852 7.793 -5.978 1.00 73.33 H new ATOM 242 N ILE A 17 8.206 7.708 1.161 1.00 74.33 N ATOM 243 CA ILE A 17 6.887 8.134 1.592 1.00 52.45 C ATOM 244 C ILE A 17 6.993 8.899 2.912 1.00 45.24 C ATOM 245 O ILE A 17 6.448 10.002 3.044 1.00 11.35 O ATOM 246 CB ILE A 17 5.968 6.908 1.825 1.00 5.22 C ATOM 247 CG1 ILE A 17 5.769 6.099 0.544 1.00 31.12 C ATOM 248 CG2 ILE A 17 4.640 7.331 2.417 1.00 31.00 C ATOM 249 CD1 ILE A 17 4.991 4.817 0.761 1.00 0.32 C ATOM 0 H ILE A 17 8.299 6.696 1.077 1.00 74.33 H new ATOM 0 HA ILE A 17 6.468 8.770 0.812 1.00 52.45 H new ATOM 0 HB ILE A 17 6.466 6.257 2.544 1.00 5.22 H new ATOM 0 HG12 ILE A 17 5.246 6.714 -0.189 1.00 31.12 H new ATOM 0 HG13 ILE A 17 6.744 5.857 0.120 1.00 31.12 H new ATOM 0 HG21 ILE A 17 4.014 6.452 2.571 1.00 31.00 H new ATOM 0 HG22 ILE A 17 4.809 7.828 3.372 1.00 31.00 H new ATOM 0 HG23 ILE A 17 4.140 8.018 1.735 1.00 31.00 H new ATOM 0 HD11 ILE A 17 4.885 4.291 -0.188 1.00 0.32 H new ATOM 0 HD12 ILE A 17 5.524 4.184 1.470 1.00 0.32 H new ATOM 0 HD13 ILE A 17 4.003 5.053 1.157 1.00 0.32 H new ATOM 261 N LYS A 18 7.719 8.301 3.873 1.00 71.23 N ATOM 262 CA LYS A 18 7.914 8.862 5.203 1.00 61.20 C ATOM 263 C LYS A 18 8.411 10.303 5.101 1.00 32.31 C ATOM 264 O LYS A 18 7.920 11.165 5.784 1.00 41.02 O ATOM 265 CB LYS A 18 8.941 8.022 5.985 1.00 34.22 C ATOM 266 CG LYS A 18 8.592 6.551 6.054 1.00 65.21 C ATOM 267 CD LYS A 18 9.617 5.721 6.771 1.00 20.32 C ATOM 268 CE LYS A 18 9.465 5.910 8.213 1.00 23.10 C ATOM 269 NZ LYS A 18 10.334 5.003 8.993 1.00 30.31 N ATOM 0 H LYS A 18 8.188 7.405 3.737 1.00 71.23 H new ATOM 0 HA LYS A 18 6.959 8.848 5.728 1.00 61.20 H new ATOM 0 HB2 LYS A 18 9.920 8.133 5.519 1.00 34.22 H new ATOM 0 HB3 LYS A 18 9.024 8.415 6.998 1.00 34.22 H new ATOM 0 HG2 LYS A 18 7.631 6.438 6.555 1.00 65.21 H new ATOM 0 HG3 LYS A 18 8.471 6.167 5.041 1.00 65.21 H new ATOM 0 HD2 LYS A 18 9.494 4.669 6.515 1.00 20.32 H new ATOM 0 HD3 LYS A 18 10.620 6.010 6.458 1.00 20.32 H new ATOM 0 HE2 LYS A 18 9.700 6.943 8.468 1.00 23.10 H new ATOM 0 HE3 LYS A 18 8.425 5.741 8.492 1.00 23.10 H new ATOM 0 HZ1 LYS A 18 10.191 5.174 10.009 1.00 30.31 H new ATOM 0 HZ2 LYS A 18 10.094 4.016 8.771 1.00 30.31 H new ATOM 0 HZ3 LYS A 18 11.329 5.180 8.749 1.00 30.31 H new ATOM 283 N THR A 19 9.375 10.518 4.215 1.00 61.35 N ATOM 284 CA THR A 19 9.969 11.803 3.933 1.00 61.35 C ATOM 285 C THR A 19 9.028 12.732 3.120 1.00 13.10 C ATOM 286 O THR A 19 8.894 13.917 3.432 1.00 31.12 O ATOM 287 CB THR A 19 11.303 11.552 3.177 1.00 45.35 C ATOM 288 OG1 THR A 19 12.389 11.333 4.086 1.00 44.42 O ATOM 289 CG2 THR A 19 11.626 12.611 2.142 1.00 41.13 C ATOM 0 H THR A 19 9.775 9.766 3.654 1.00 61.35 H new ATOM 0 HA THR A 19 10.152 12.325 4.872 1.00 61.35 H new ATOM 0 HB THR A 19 11.157 10.634 2.608 1.00 45.35 H new ATOM 0 HG1 THR A 19 13.213 11.177 3.579 1.00 44.42 H new ATOM 0 HG21 THR A 19 12.571 12.368 1.656 1.00 41.13 H new ATOM 0 HG22 THR A 19 10.832 12.645 1.396 1.00 41.13 H new ATOM 0 HG23 THR A 19 11.708 13.583 2.629 1.00 41.13 H new ATOM 297 N ARG A 20 8.406 12.204 2.093 1.00 51.42 N ATOM 298 CA ARG A 20 7.531 12.988 1.225 1.00 23.13 C ATOM 299 C ARG A 20 6.363 13.565 1.975 1.00 65.20 C ATOM 300 O ARG A 20 5.959 14.702 1.748 1.00 41.55 O ATOM 301 CB ARG A 20 7.071 12.135 0.059 1.00 32.14 C ATOM 302 CG ARG A 20 8.139 11.955 -0.995 1.00 15.41 C ATOM 303 CD ARG A 20 8.326 13.225 -1.790 1.00 45.41 C ATOM 304 NE ARG A 20 9.343 13.079 -2.824 1.00 23.34 N ATOM 305 CZ ARG A 20 9.301 13.669 -4.019 1.00 22.02 C ATOM 306 NH1 ARG A 20 8.276 14.443 -4.345 1.00 24.41 N ATOM 307 NH2 ARG A 20 10.291 13.482 -4.882 1.00 1.42 N ATOM 0 H ARG A 20 8.485 11.222 1.828 1.00 51.42 H new ATOM 0 HA ARG A 20 8.101 13.835 0.842 1.00 23.13 H new ATOM 0 HB2 ARG A 20 6.765 11.157 0.430 1.00 32.14 H new ATOM 0 HB3 ARG A 20 6.193 12.593 -0.396 1.00 32.14 H new ATOM 0 HG2 ARG A 20 9.080 11.675 -0.522 1.00 15.41 H new ATOM 0 HG3 ARG A 20 7.863 11.139 -1.663 1.00 15.41 H new ATOM 0 HD2 ARG A 20 7.379 13.507 -2.250 1.00 45.41 H new ATOM 0 HD3 ARG A 20 8.607 14.035 -1.117 1.00 45.41 H new ATOM 0 HE ARG A 20 10.145 12.483 -2.619 1.00 23.34 H new ATOM 0 HH11 ARG A 20 7.516 14.589 -3.681 1.00 24.41 H new ATOM 0 HH12 ARG A 20 8.247 14.893 -5.260 1.00 24.41 H new ATOM 0 HH21 ARG A 20 11.081 12.888 -4.631 1.00 1.42 H new ATOM 0 HH22 ARG A 20 10.262 13.932 -5.797 1.00 1.42 H new ATOM 321 N PHE A 21 5.873 12.800 2.891 1.00 30.43 N ATOM 322 CA PHE A 21 4.752 13.166 3.699 1.00 22.32 C ATOM 323 C PHE A 21 5.217 13.278 5.145 1.00 73.02 C ATOM 324 O PHE A 21 4.487 12.965 6.077 1.00 12.25 O ATOM 325 CB PHE A 21 3.658 12.108 3.536 1.00 3.42 C ATOM 326 CG PHE A 21 3.221 11.935 2.099 1.00 4.11 C ATOM 327 CD1 PHE A 21 2.246 12.744 1.556 1.00 23.54 C ATOM 328 CD2 PHE A 21 3.801 10.968 1.293 1.00 24.12 C ATOM 329 CE1 PHE A 21 1.852 12.594 0.242 1.00 31.40 C ATOM 330 CE2 PHE A 21 3.415 10.814 -0.015 1.00 51.24 C ATOM 331 CZ PHE A 21 2.438 11.628 -0.546 1.00 0.40 C ATOM 0 H PHE A 21 6.249 11.877 3.107 1.00 30.43 H new ATOM 0 HA PHE A 21 4.340 14.128 3.393 1.00 22.32 H new ATOM 0 HB2 PHE A 21 4.021 11.154 3.918 1.00 3.42 H new ATOM 0 HB3 PHE A 21 2.796 12.387 4.142 1.00 3.42 H new ATOM 0 HD1 PHE A 21 1.784 13.505 2.167 1.00 23.54 H new ATOM 0 HD2 PHE A 21 4.568 10.326 1.700 1.00 24.12 H new ATOM 0 HE1 PHE A 21 1.085 13.234 -0.168 1.00 31.40 H new ATOM 0 HE2 PHE A 21 3.877 10.055 -0.628 1.00 51.24 H new ATOM 0 HZ PHE A 21 2.133 11.509 -1.575 1.00 0.40 H new ATOM 341 N LEU A 22 6.437 13.767 5.316 1.00 13.00 N ATOM 342 CA LEU A 22 7.078 13.880 6.620 1.00 61.15 C ATOM 343 C LEU A 22 6.340 14.879 7.509 1.00 34.24 C ATOM 344 O LEU A 22 6.331 14.763 8.737 1.00 74.40 O ATOM 345 CB LEU A 22 8.548 14.290 6.434 1.00 31.20 C ATOM 346 CG LEU A 22 9.603 13.435 7.105 1.00 32.43 C ATOM 347 CD1 LEU A 22 10.991 14.006 6.892 1.00 43.34 C ATOM 348 CD2 LEU A 22 9.304 13.285 8.542 1.00 62.11 C ATOM 0 H LEU A 22 7.016 14.100 4.546 1.00 13.00 H new ATOM 0 HA LEU A 22 7.040 12.911 7.118 1.00 61.15 H new ATOM 0 HB2 LEU A 22 8.759 14.308 5.365 1.00 31.20 H new ATOM 0 HB3 LEU A 22 8.661 15.311 6.798 1.00 31.20 H new ATOM 0 HG LEU A 22 9.584 12.447 6.645 1.00 32.43 H new ATOM 0 HD11 LEU A 22 11.726 13.370 7.386 1.00 43.34 H new ATOM 0 HD12 LEU A 22 11.207 14.049 5.824 1.00 43.34 H new ATOM 0 HD13 LEU A 22 11.040 15.010 7.313 1.00 43.34 H new ATOM 0 HD21 LEU A 22 10.071 12.668 9.011 1.00 62.11 H new ATOM 0 HD22 LEU A 22 9.289 14.267 9.015 1.00 62.11 H new ATOM 0 HD23 LEU A 22 8.331 12.809 8.663 1.00 62.11 H new ATOM 360 N ASP A 23 5.716 15.841 6.885 1.00 51.44 N ATOM 361 CA ASP A 23 4.958 16.842 7.590 1.00 54.14 C ATOM 362 C ASP A 23 3.530 16.410 7.790 1.00 43.44 C ATOM 363 O ASP A 23 2.787 17.026 8.541 1.00 52.12 O ATOM 364 CB ASP A 23 4.994 18.158 6.844 1.00 44.51 C ATOM 365 CG ASP A 23 6.314 18.867 6.950 1.00 22.30 C ATOM 366 OD1 ASP A 23 6.588 19.477 7.997 1.00 42.45 O ATOM 367 OD2 ASP A 23 7.120 18.814 5.989 1.00 73.21 O ATOM 0 H ASP A 23 5.718 15.954 5.871 1.00 51.44 H new ATOM 0 HA ASP A 23 5.418 16.972 8.570 1.00 54.14 H new ATOM 0 HB2 ASP A 23 4.770 17.978 5.793 1.00 44.51 H new ATOM 0 HB3 ASP A 23 4.209 18.808 7.230 1.00 44.51 H new ATOM 372 N HIS A 24 3.152 15.337 7.143 1.00 22.13 N ATOM 373 CA HIS A 24 1.797 14.834 7.215 1.00 12.14 C ATOM 374 C HIS A 24 1.774 13.342 7.483 1.00 41.43 C ATOM 375 O HIS A 24 1.532 12.540 6.568 1.00 50.33 O ATOM 376 CB HIS A 24 1.007 15.131 5.936 1.00 30.45 C ATOM 377 CG HIS A 24 0.619 16.531 5.726 1.00 34.10 C ATOM 378 ND1 HIS A 24 -0.373 17.193 6.419 1.00 54.54 N ATOM 379 CD2 HIS A 24 1.118 17.388 4.873 1.00 73.21 C ATOM 380 CE1 HIS A 24 -0.422 18.441 5.953 1.00 73.11 C ATOM 381 NE2 HIS A 24 0.479 18.619 4.998 1.00 11.12 N ATOM 0 H HIS A 24 3.772 14.785 6.551 1.00 22.13 H new ATOM 0 HA HIS A 24 1.321 15.354 8.046 1.00 12.14 H new ATOM 0 HB2 HIS A 24 1.603 14.809 5.082 1.00 30.45 H new ATOM 0 HB3 HIS A 24 0.103 14.522 5.942 1.00 30.45 H new ATOM 0 HD1 HIS A 24 -0.961 16.800 7.154 1.00 54.54 H new ATOM 0 HD2 HIS A 24 1.911 17.172 4.173 1.00 73.21 H new ATOM 0 HE1 HIS A 24 -1.102 19.202 6.305 1.00 73.11 H new ATOM 389 N PRO A 25 2.030 12.924 8.736 1.00 14.45 N ATOM 390 CA PRO A 25 2.023 11.505 9.108 1.00 34.42 C ATOM 391 C PRO A 25 0.619 10.912 8.982 1.00 40.13 C ATOM 392 O PRO A 25 0.443 9.704 8.906 1.00 1.33 O ATOM 393 CB PRO A 25 2.485 11.508 10.571 1.00 42.11 C ATOM 394 CG PRO A 25 3.124 12.841 10.772 1.00 3.20 C ATOM 395 CD PRO A 25 2.371 13.781 9.888 1.00 15.12 C ATOM 0 HA PRO A 25 2.661 10.899 8.464 1.00 34.42 H new ATOM 0 HB2 PRO A 25 1.644 11.367 11.250 1.00 42.11 H new ATOM 0 HB3 PRO A 25 3.190 10.699 10.764 1.00 42.11 H new ATOM 0 HG2 PRO A 25 3.065 13.151 11.815 1.00 3.20 H new ATOM 0 HG3 PRO A 25 4.181 12.814 10.506 1.00 3.20 H new ATOM 0 HD2 PRO A 25 1.481 14.176 10.378 1.00 15.12 H new ATOM 0 HD3 PRO A 25 2.979 14.636 9.593 1.00 15.12 H new ATOM 403 N GLU A 26 -0.363 11.796 8.917 1.00 12.00 N ATOM 404 CA GLU A 26 -1.751 11.454 8.753 1.00 51.35 C ATOM 405 C GLU A 26 -1.977 10.711 7.428 1.00 52.24 C ATOM 406 O GLU A 26 -2.828 9.832 7.338 1.00 1.33 O ATOM 407 CB GLU A 26 -2.583 12.731 8.806 1.00 22.10 C ATOM 408 CG GLU A 26 -2.303 13.688 7.667 1.00 64.01 C ATOM 409 CD GLU A 26 -3.020 14.998 7.803 1.00 33.24 C ATOM 410 OE1 GLU A 26 -4.270 15.013 7.773 1.00 13.04 O ATOM 411 OE2 GLU A 26 -2.360 16.037 7.973 1.00 1.51 O ATOM 0 H GLU A 26 -0.202 12.801 8.980 1.00 12.00 H new ATOM 0 HA GLU A 26 -2.058 10.787 9.559 1.00 51.35 H new ATOM 0 HB2 GLU A 26 -3.640 12.466 8.794 1.00 22.10 H new ATOM 0 HB3 GLU A 26 -2.392 13.239 9.751 1.00 22.10 H new ATOM 0 HG2 GLU A 26 -1.230 13.873 7.612 1.00 64.01 H new ATOM 0 HG3 GLU A 26 -2.594 13.218 6.727 1.00 64.01 H new ATOM 418 N ILE A 27 -1.182 11.049 6.422 1.00 51.11 N ATOM 419 CA ILE A 27 -1.281 10.437 5.118 1.00 22.34 C ATOM 420 C ILE A 27 -0.666 9.057 5.174 1.00 75.31 C ATOM 421 O ILE A 27 -1.250 8.088 4.706 1.00 74.11 O ATOM 422 CB ILE A 27 -0.602 11.329 4.060 1.00 61.43 C ATOM 423 CG1 ILE A 27 -1.317 12.687 4.066 1.00 14.41 C ATOM 424 CG2 ILE A 27 -0.645 10.677 2.664 1.00 1.34 C ATOM 425 CD1 ILE A 27 -0.774 13.689 3.100 1.00 34.12 C ATOM 0 H ILE A 27 -0.451 11.757 6.494 1.00 51.11 H new ATOM 0 HA ILE A 27 -2.327 10.335 4.828 1.00 22.34 H new ATOM 0 HB ILE A 27 0.452 11.461 4.303 1.00 61.43 H new ATOM 0 HG12 ILE A 27 -2.372 12.526 3.845 1.00 14.41 H new ATOM 0 HG13 ILE A 27 -1.262 13.106 5.071 1.00 14.41 H new ATOM 0 HG21 ILE A 27 -0.158 11.332 1.941 1.00 1.34 H new ATOM 0 HG22 ILE A 27 -0.126 9.719 2.694 1.00 1.34 H new ATOM 0 HG23 ILE A 27 -1.682 10.518 2.368 1.00 1.34 H new ATOM 0 HD11 ILE A 27 -1.343 14.615 3.178 1.00 34.12 H new ATOM 0 HD12 ILE A 27 0.273 13.886 3.330 1.00 34.12 H new ATOM 0 HD13 ILE A 27 -0.855 13.298 2.086 1.00 34.12 H new ATOM 437 N TYR A 28 0.472 8.978 5.847 1.00 41.45 N ATOM 438 CA TYR A 28 1.190 7.722 6.071 1.00 15.11 C ATOM 439 C TYR A 28 0.240 6.748 6.784 1.00 73.32 C ATOM 440 O TYR A 28 0.021 5.620 6.348 1.00 41.33 O ATOM 441 CB TYR A 28 2.398 8.011 6.986 1.00 34.04 C ATOM 442 CG TYR A 28 3.411 6.888 7.113 1.00 62.03 C ATOM 443 CD1 TYR A 28 4.432 6.724 6.178 1.00 34.24 C ATOM 444 CD2 TYR A 28 3.339 5.987 8.164 1.00 4.20 C ATOM 445 CE1 TYR A 28 5.338 5.691 6.293 1.00 22.31 C ATOM 446 CE2 TYR A 28 4.248 4.959 8.287 1.00 4.05 C ATOM 447 CZ TYR A 28 5.240 4.810 7.355 1.00 61.21 C ATOM 448 OH TYR A 28 6.138 3.771 7.486 1.00 34.35 O ATOM 0 H TYR A 28 0.932 9.790 6.259 1.00 41.45 H new ATOM 0 HA TYR A 28 1.530 7.293 5.128 1.00 15.11 H new ATOM 0 HB2 TYR A 28 2.910 8.897 6.611 1.00 34.04 H new ATOM 0 HB3 TYR A 28 2.026 8.255 7.981 1.00 34.04 H new ATOM 0 HD1 TYR A 28 4.514 7.415 5.352 1.00 34.24 H new ATOM 0 HD2 TYR A 28 2.556 6.093 8.900 1.00 4.20 H new ATOM 0 HE1 TYR A 28 6.120 5.570 5.558 1.00 22.31 H new ATOM 0 HE2 TYR A 28 4.178 4.272 9.117 1.00 4.05 H new ATOM 0 HH TYR A 28 5.923 3.252 8.289 1.00 34.35 H new ATOM 458 N ARG A 29 -0.353 7.246 7.851 1.00 1.03 N ATOM 459 CA ARG A 29 -1.272 6.534 8.688 1.00 71.30 C ATOM 460 C ARG A 29 -2.532 6.081 7.917 1.00 2.32 C ATOM 461 O ARG A 29 -2.995 4.944 8.079 1.00 43.21 O ATOM 462 CB ARG A 29 -1.657 7.461 9.812 1.00 42.15 C ATOM 463 CG ARG A 29 -2.544 6.868 10.843 1.00 14.41 C ATOM 464 CD ARG A 29 -2.831 7.883 11.915 1.00 5.31 C ATOM 465 NE ARG A 29 -3.780 7.400 12.916 1.00 51.43 N ATOM 466 CZ ARG A 29 -4.267 8.152 13.910 1.00 11.41 C ATOM 467 NH1 ARG A 29 -3.889 9.427 14.034 1.00 4.24 N ATOM 468 NH2 ARG A 29 -5.127 7.635 14.773 1.00 13.44 N ATOM 0 H ARG A 29 -0.193 8.203 8.164 1.00 1.03 H new ATOM 0 HA ARG A 29 -0.796 5.627 9.062 1.00 71.30 H new ATOM 0 HB2 ARG A 29 -0.748 7.815 10.298 1.00 42.15 H new ATOM 0 HB3 ARG A 29 -2.152 8.334 9.388 1.00 42.15 H new ATOM 0 HG2 ARG A 29 -3.476 6.535 10.386 1.00 14.41 H new ATOM 0 HG3 ARG A 29 -2.071 5.988 11.280 1.00 14.41 H new ATOM 0 HD2 ARG A 29 -1.898 8.157 12.408 1.00 5.31 H new ATOM 0 HD3 ARG A 29 -3.226 8.789 11.455 1.00 5.31 H new ATOM 0 HE ARG A 29 -4.090 6.430 12.853 1.00 51.43 H new ATOM 0 HH11 ARG A 29 -3.228 9.830 13.370 1.00 4.24 H new ATOM 0 HH12 ARG A 29 -4.262 9.998 14.793 1.00 4.24 H new ATOM 0 HH21 ARG A 29 -5.419 6.662 14.681 1.00 13.44 H new ATOM 0 HH22 ARG A 29 -5.497 8.209 15.530 1.00 13.44 H new ATOM 482 N SER A 30 -3.071 6.966 7.077 1.00 54.13 N ATOM 483 CA SER A 30 -4.254 6.653 6.278 1.00 44.12 C ATOM 484 C SER A 30 -3.944 5.550 5.275 1.00 52.24 C ATOM 485 O SER A 30 -4.810 4.787 4.880 1.00 35.42 O ATOM 486 CB SER A 30 -4.794 7.902 5.568 1.00 23.12 C ATOM 487 OG SER A 30 -5.203 8.899 6.514 1.00 15.44 O ATOM 0 H SER A 30 -2.705 7.907 6.933 1.00 54.13 H new ATOM 0 HA SER A 30 -5.031 6.296 6.954 1.00 44.12 H new ATOM 0 HB2 SER A 30 -4.026 8.312 4.913 1.00 23.12 H new ATOM 0 HB3 SER A 30 -5.639 7.628 4.936 1.00 23.12 H new ATOM 0 HG SER A 30 -4.424 9.424 6.794 1.00 15.44 H new ATOM 493 N PHE A 31 -2.710 5.484 4.861 1.00 5.22 N ATOM 494 CA PHE A 31 -2.279 4.443 3.976 1.00 40.52 C ATOM 495 C PHE A 31 -2.179 3.123 4.713 1.00 34.42 C ATOM 496 O PHE A 31 -2.624 2.080 4.219 1.00 2.20 O ATOM 497 CB PHE A 31 -0.940 4.787 3.358 1.00 54.14 C ATOM 498 CG PHE A 31 -0.343 3.624 2.665 1.00 10.10 C ATOM 499 CD1 PHE A 31 -0.887 3.169 1.483 1.00 2.21 C ATOM 500 CD2 PHE A 31 0.719 2.952 3.228 1.00 23.11 C ATOM 501 CE1 PHE A 31 -0.382 2.061 0.859 1.00 33.23 C ATOM 502 CE2 PHE A 31 1.249 1.842 2.618 1.00 3.41 C ATOM 503 CZ PHE A 31 0.698 1.386 1.423 1.00 22.52 C ATOM 0 H PHE A 31 -1.980 6.146 5.126 1.00 5.22 H new ATOM 0 HA PHE A 31 -3.020 4.349 3.182 1.00 40.52 H new ATOM 0 HB2 PHE A 31 -1.065 5.607 2.651 1.00 54.14 H new ATOM 0 HB3 PHE A 31 -0.260 5.137 4.135 1.00 54.14 H new ATOM 0 HD1 PHE A 31 -1.723 3.694 1.044 1.00 2.21 H new ATOM 0 HD2 PHE A 31 1.139 3.302 4.159 1.00 23.11 H new ATOM 0 HE1 PHE A 31 -0.818 1.712 -0.065 1.00 33.23 H new ATOM 0 HE2 PHE A 31 2.088 1.326 3.062 1.00 3.41 H new ATOM 0 HZ PHE A 31 1.106 0.513 0.936 1.00 22.52 H new ATOM 513 N LEU A 32 -1.584 3.178 5.880 1.00 11.52 N ATOM 514 CA LEU A 32 -1.383 2.027 6.730 1.00 74.22 C ATOM 515 C LEU A 32 -2.686 1.306 7.021 1.00 62.54 C ATOM 516 O LEU A 32 -2.705 0.085 7.171 1.00 70.31 O ATOM 517 CB LEU A 32 -0.725 2.470 8.023 1.00 71.45 C ATOM 518 CG LEU A 32 0.687 3.020 7.905 1.00 63.43 C ATOM 519 CD1 LEU A 32 1.191 3.392 9.272 1.00 43.25 C ATOM 520 CD2 LEU A 32 1.631 2.019 7.223 1.00 41.33 C ATOM 0 H LEU A 32 -1.217 4.044 6.275 1.00 11.52 H new ATOM 0 HA LEU A 32 -0.736 1.323 6.207 1.00 74.22 H new ATOM 0 HB2 LEU A 32 -1.353 3.234 8.482 1.00 71.45 H new ATOM 0 HB3 LEU A 32 -0.706 1.621 8.706 1.00 71.45 H new ATOM 0 HG LEU A 32 0.663 3.909 7.275 1.00 63.43 H new ATOM 0 HD11 LEU A 32 2.204 3.787 9.191 1.00 43.25 H new ATOM 0 HD12 LEU A 32 0.539 4.150 9.706 1.00 43.25 H new ATOM 0 HD13 LEU A 32 1.196 2.509 9.911 1.00 43.25 H new ATOM 0 HD21 LEU A 32 2.631 2.448 7.157 1.00 41.33 H new ATOM 0 HD22 LEU A 32 1.669 1.099 7.806 1.00 41.33 H new ATOM 0 HD23 LEU A 32 1.264 1.798 6.221 1.00 41.33 H new ATOM 532 N GLU A 33 -3.769 2.049 7.057 1.00 3.05 N ATOM 533 CA GLU A 33 -5.055 1.479 7.339 1.00 64.33 C ATOM 534 C GLU A 33 -5.576 0.708 6.112 1.00 20.40 C ATOM 535 O GLU A 33 -6.242 -0.312 6.245 1.00 55.53 O ATOM 536 CB GLU A 33 -6.022 2.572 7.785 1.00 24.31 C ATOM 537 CG GLU A 33 -6.743 3.313 6.672 1.00 34.25 C ATOM 538 CD GLU A 33 -7.603 4.419 7.201 1.00 52.44 C ATOM 539 OE1 GLU A 33 -8.599 4.128 7.903 1.00 52.53 O ATOM 540 OE2 GLU A 33 -7.327 5.590 6.910 1.00 71.41 O ATOM 0 H GLU A 33 -3.778 3.056 6.892 1.00 3.05 H new ATOM 0 HA GLU A 33 -4.967 0.764 8.157 1.00 64.33 H new ATOM 0 HB2 GLU A 33 -6.769 2.124 8.441 1.00 24.31 H new ATOM 0 HB3 GLU A 33 -5.469 3.299 8.381 1.00 24.31 H new ATOM 0 HG2 GLU A 33 -6.011 3.724 5.976 1.00 34.25 H new ATOM 0 HG3 GLU A 33 -7.359 2.612 6.109 1.00 34.25 H new ATOM 547 N ILE A 34 -5.210 1.180 4.921 1.00 65.11 N ATOM 548 CA ILE A 34 -5.597 0.573 3.680 1.00 2.43 C ATOM 549 C ILE A 34 -4.884 -0.734 3.535 1.00 24.33 C ATOM 550 O ILE A 34 -5.483 -1.737 3.176 1.00 1.04 O ATOM 551 CB ILE A 34 -5.225 1.497 2.497 1.00 54.25 C ATOM 552 CG1 ILE A 34 -6.004 2.800 2.592 1.00 33.05 C ATOM 553 CG2 ILE A 34 -5.434 0.799 1.152 1.00 51.44 C ATOM 554 CD1 ILE A 34 -5.543 3.857 1.631 1.00 63.32 C ATOM 0 H ILE A 34 -4.627 2.009 4.806 1.00 65.11 H new ATOM 0 HA ILE A 34 -6.675 0.413 3.677 1.00 2.43 H new ATOM 0 HB ILE A 34 -4.163 1.733 2.559 1.00 54.25 H new ATOM 0 HG12 ILE A 34 -7.059 2.595 2.412 1.00 33.05 H new ATOM 0 HG13 ILE A 34 -5.923 3.187 3.608 1.00 33.05 H new ATOM 0 HG21 ILE A 34 -5.163 1.478 0.344 1.00 51.44 H new ATOM 0 HG22 ILE A 34 -4.808 -0.092 1.103 1.00 51.44 H new ATOM 0 HG23 ILE A 34 -6.481 0.513 1.049 1.00 51.44 H new ATOM 0 HD11 ILE A 34 -6.147 4.755 1.760 1.00 63.32 H new ATOM 0 HD12 ILE A 34 -4.496 4.093 1.824 1.00 63.32 H new ATOM 0 HD13 ILE A 34 -5.650 3.492 0.610 1.00 63.32 H new ATOM 566 N LEU A 35 -3.606 -0.720 3.839 1.00 5.12 N ATOM 567 CA LEU A 35 -2.796 -1.879 3.733 1.00 72.43 C ATOM 568 C LEU A 35 -3.247 -2.901 4.788 1.00 45.20 C ATOM 569 O LEU A 35 -3.320 -4.100 4.505 1.00 54.01 O ATOM 570 CB LEU A 35 -1.340 -1.464 3.911 1.00 23.21 C ATOM 571 CG LEU A 35 -0.276 -2.291 3.187 1.00 64.35 C ATOM 572 CD1 LEU A 35 -0.215 -3.719 3.686 1.00 45.00 C ATOM 573 CD2 LEU A 35 -0.489 -2.260 1.673 1.00 61.33 C ATOM 0 H LEU A 35 -3.110 0.109 4.167 1.00 5.12 H new ATOM 0 HA LEU A 35 -2.897 -2.351 2.756 1.00 72.43 H new ATOM 0 HB2 LEU A 35 -1.243 -0.429 3.583 1.00 23.21 H new ATOM 0 HB3 LEU A 35 -1.113 -1.483 4.977 1.00 23.21 H new ATOM 0 HG LEU A 35 0.685 -1.829 3.413 1.00 64.35 H new ATOM 0 HD11 LEU A 35 0.556 -4.263 3.140 1.00 45.00 H new ATOM 0 HD12 LEU A 35 0.023 -3.723 4.750 1.00 45.00 H new ATOM 0 HD13 LEU A 35 -1.180 -4.201 3.528 1.00 45.00 H new ATOM 0 HD21 LEU A 35 0.282 -2.856 1.185 1.00 61.33 H new ATOM 0 HD22 LEU A 35 -1.470 -2.671 1.435 1.00 61.33 H new ATOM 0 HD23 LEU A 35 -0.431 -1.231 1.318 1.00 61.33 H new ATOM 585 N HIS A 36 -3.595 -2.405 5.976 1.00 52.33 N ATOM 586 CA HIS A 36 -4.112 -3.249 7.046 1.00 12.02 C ATOM 587 C HIS A 36 -5.394 -3.913 6.569 1.00 35.13 C ATOM 588 O HIS A 36 -5.528 -5.125 6.613 1.00 24.30 O ATOM 589 CB HIS A 36 -4.388 -2.407 8.302 1.00 13.43 C ATOM 590 CG HIS A 36 -4.770 -3.205 9.511 1.00 73.44 C ATOM 591 ND1 HIS A 36 -6.037 -3.241 10.052 1.00 61.44 N ATOM 592 CD2 HIS A 36 -4.005 -3.983 10.303 1.00 71.40 C ATOM 593 CE1 HIS A 36 -6.003 -4.018 11.129 1.00 12.43 C ATOM 594 NE2 HIS A 36 -4.784 -4.498 11.330 1.00 11.34 N ATOM 0 H HIS A 36 -3.526 -1.417 6.219 1.00 52.33 H new ATOM 0 HA HIS A 36 -3.375 -4.011 7.301 1.00 12.02 H new ATOM 0 HB2 HIS A 36 -3.499 -1.821 8.535 1.00 13.43 H new ATOM 0 HB3 HIS A 36 -5.187 -1.699 8.082 1.00 13.43 H new ATOM 0 HD2 HIS A 36 -2.952 -4.175 10.161 1.00 71.40 H new ATOM 0 HE1 HIS A 36 -6.855 -4.230 11.757 1.00 12.43 H new ATOM 0 HE2 HIS A 36 -4.481 -5.117 12.082 1.00 11.34 H new ATOM 602 N THR A 37 -6.292 -3.103 6.061 1.00 70.03 N ATOM 603 CA THR A 37 -7.539 -3.552 5.500 1.00 61.23 C ATOM 604 C THR A 37 -7.320 -4.572 4.372 1.00 4.41 C ATOM 605 O THR A 37 -7.993 -5.597 4.310 1.00 74.34 O ATOM 606 CB THR A 37 -8.363 -2.313 5.021 1.00 24.41 C ATOM 607 OG1 THR A 37 -9.213 -1.812 6.055 1.00 55.03 O ATOM 608 CG2 THR A 37 -9.116 -2.512 3.709 1.00 55.34 C ATOM 0 H THR A 37 -6.171 -2.091 6.027 1.00 70.03 H new ATOM 0 HA THR A 37 -8.109 -4.073 6.269 1.00 61.23 H new ATOM 0 HB THR A 37 -7.617 -1.551 4.795 1.00 24.41 H new ATOM 0 HG1 THR A 37 -9.712 -1.037 5.722 1.00 55.03 H new ATOM 0 HG21 THR A 37 -9.658 -1.600 3.458 1.00 55.34 H new ATOM 0 HG22 THR A 37 -8.407 -2.743 2.914 1.00 55.34 H new ATOM 0 HG23 THR A 37 -9.822 -3.335 3.816 1.00 55.34 H new ATOM 616 N TYR A 38 -6.355 -4.303 3.537 1.00 74.33 N ATOM 617 CA TYR A 38 -6.046 -5.131 2.413 1.00 42.11 C ATOM 618 C TYR A 38 -5.636 -6.536 2.876 1.00 44.14 C ATOM 619 O TYR A 38 -6.157 -7.536 2.389 1.00 54.11 O ATOM 620 CB TYR A 38 -4.936 -4.463 1.608 1.00 45.51 C ATOM 621 CG TYR A 38 -4.654 -5.107 0.306 1.00 0.13 C ATOM 622 CD1 TYR A 38 -5.409 -4.780 -0.786 1.00 32.42 C ATOM 623 CD2 TYR A 38 -3.643 -6.039 0.165 1.00 3.31 C ATOM 624 CE1 TYR A 38 -5.165 -5.370 -2.020 1.00 33.31 C ATOM 625 CE2 TYR A 38 -3.389 -6.638 -1.043 1.00 42.30 C ATOM 626 CZ TYR A 38 -4.145 -6.305 -2.137 1.00 34.54 C ATOM 627 OH TYR A 38 -3.896 -6.925 -3.339 1.00 31.23 O ATOM 0 H TYR A 38 -5.752 -3.485 3.624 1.00 74.33 H new ATOM 0 HA TYR A 38 -6.926 -5.246 1.780 1.00 42.11 H new ATOM 0 HB2 TYR A 38 -5.206 -3.422 1.434 1.00 45.51 H new ATOM 0 HB3 TYR A 38 -4.023 -4.460 2.204 1.00 45.51 H new ATOM 0 HD1 TYR A 38 -6.204 -4.055 -0.688 1.00 32.42 H new ATOM 0 HD2 TYR A 38 -3.041 -6.301 1.023 1.00 3.31 H new ATOM 0 HE1 TYR A 38 -5.763 -5.104 -2.879 1.00 33.31 H new ATOM 0 HE2 TYR A 38 -2.598 -7.368 -1.131 1.00 42.30 H new ATOM 0 HH TYR A 38 -3.146 -7.548 -3.237 1.00 31.23 H new ATOM 637 N GLN A 39 -4.760 -6.595 3.860 1.00 13.11 N ATOM 638 CA GLN A 39 -4.274 -7.865 4.371 1.00 41.20 C ATOM 639 C GLN A 39 -5.322 -8.578 5.226 1.00 10.32 C ATOM 640 O GLN A 39 -5.312 -9.800 5.350 1.00 51.13 O ATOM 641 CB GLN A 39 -3.007 -7.654 5.181 1.00 2.31 C ATOM 642 CG GLN A 39 -1.852 -7.081 4.383 1.00 3.20 C ATOM 643 CD GLN A 39 -1.419 -7.971 3.234 1.00 15.15 C ATOM 644 OE1 GLN A 39 -1.904 -7.856 2.110 1.00 74.32 O ATOM 645 NE2 GLN A 39 -0.507 -8.850 3.499 1.00 42.42 N ATOM 0 H GLN A 39 -4.368 -5.776 4.324 1.00 13.11 H new ATOM 0 HA GLN A 39 -4.059 -8.500 3.511 1.00 41.20 H new ATOM 0 HB2 GLN A 39 -3.227 -6.985 6.013 1.00 2.31 H new ATOM 0 HB3 GLN A 39 -2.700 -8.607 5.611 1.00 2.31 H new ATOM 0 HG2 GLN A 39 -2.139 -6.106 3.990 1.00 3.20 H new ATOM 0 HG3 GLN A 39 -1.004 -6.920 5.048 1.00 3.20 H new ATOM 0 HE21 GLN A 39 -0.125 -8.920 4.442 1.00 42.42 H new ATOM 0 HE22 GLN A 39 -0.170 -9.473 2.765 1.00 42.42 H new ATOM 654 N LYS A 40 -6.207 -7.821 5.821 1.00 34.13 N ATOM 655 CA LYS A 40 -7.220 -8.381 6.687 1.00 54.44 C ATOM 656 C LYS A 40 -8.463 -8.853 5.970 1.00 13.24 C ATOM 657 O LYS A 40 -9.016 -9.896 6.323 1.00 3.14 O ATOM 658 CB LYS A 40 -7.576 -7.445 7.824 1.00 41.42 C ATOM 659 CG LYS A 40 -6.665 -7.604 9.029 1.00 31.22 C ATOM 660 CD LYS A 40 -5.222 -7.282 8.727 1.00 21.54 C ATOM 661 CE LYS A 40 -4.346 -7.494 9.945 1.00 2.01 C ATOM 662 NZ LYS A 40 -2.918 -7.324 9.635 1.00 25.21 N ATOM 0 H LYS A 40 -6.249 -6.807 5.722 1.00 34.13 H new ATOM 0 HA LYS A 40 -6.759 -9.276 7.105 1.00 54.44 H new ATOM 0 HB2 LYS A 40 -7.525 -6.415 7.470 1.00 41.42 H new ATOM 0 HB3 LYS A 40 -8.607 -7.627 8.128 1.00 41.42 H new ATOM 0 HG2 LYS A 40 -7.016 -6.954 9.831 1.00 31.22 H new ATOM 0 HG3 LYS A 40 -6.733 -8.628 9.396 1.00 31.22 H new ATOM 0 HD2 LYS A 40 -4.870 -7.911 7.909 1.00 21.54 H new ATOM 0 HD3 LYS A 40 -5.140 -6.248 8.392 1.00 21.54 H new ATOM 0 HE2 LYS A 40 -4.634 -6.789 10.725 1.00 2.01 H new ATOM 0 HE3 LYS A 40 -4.514 -8.495 10.342 1.00 2.01 H new ATOM 0 HZ1 LYS A 40 -2.355 -7.478 10.496 1.00 25.21 H new ATOM 0 HZ2 LYS A 40 -2.636 -8.013 8.909 1.00 25.21 H new ATOM 0 HZ3 LYS A 40 -2.752 -6.360 9.280 1.00 25.21 H new ATOM 676 N GLU A 41 -8.904 -8.126 4.963 1.00 24.55 N ATOM 677 CA GLU A 41 -10.135 -8.492 4.275 1.00 24.12 C ATOM 678 C GLU A 41 -9.935 -9.594 3.252 1.00 33.51 C ATOM 679 O GLU A 41 -10.902 -10.219 2.816 1.00 21.03 O ATOM 680 CB GLU A 41 -10.828 -7.302 3.644 1.00 64.42 C ATOM 681 CG GLU A 41 -11.204 -6.222 4.620 1.00 70.53 C ATOM 682 CD GLU A 41 -12.166 -5.245 4.032 1.00 30.02 C ATOM 683 OE1 GLU A 41 -11.859 -4.602 3.000 1.00 53.42 O ATOM 684 OE2 GLU A 41 -13.271 -5.119 4.570 1.00 2.13 O ATOM 0 H GLU A 41 -8.441 -7.291 4.604 1.00 24.55 H new ATOM 0 HA GLU A 41 -10.789 -8.883 5.054 1.00 24.12 H new ATOM 0 HB2 GLU A 41 -10.175 -6.877 2.882 1.00 64.42 H new ATOM 0 HB3 GLU A 41 -11.728 -7.647 3.136 1.00 64.42 H new ATOM 0 HG2 GLU A 41 -11.645 -6.674 5.509 1.00 70.53 H new ATOM 0 HG3 GLU A 41 -10.305 -5.696 4.942 1.00 70.53 H new ATOM 691 N GLN A 42 -8.701 -9.825 2.839 1.00 5.10 N ATOM 692 CA GLN A 42 -8.426 -10.944 1.946 1.00 5.35 C ATOM 693 C GLN A 42 -8.465 -12.251 2.724 1.00 35.30 C ATOM 694 O GLN A 42 -8.647 -13.340 2.156 1.00 31.22 O ATOM 695 CB GLN A 42 -7.095 -10.789 1.225 1.00 11.43 C ATOM 696 CG GLN A 42 -7.066 -9.695 0.163 1.00 34.12 C ATOM 697 CD GLN A 42 -8.115 -9.908 -0.918 1.00 11.42 C ATOM 698 OE1 GLN A 42 -7.876 -10.592 -1.909 1.00 22.52 O ATOM 699 NE2 GLN A 42 -9.259 -9.309 -0.761 1.00 25.21 N ATOM 0 H GLN A 42 -7.887 -9.268 3.099 1.00 5.10 H new ATOM 0 HA GLN A 42 -9.203 -10.956 1.181 1.00 5.35 H new ATOM 0 HB2 GLN A 42 -6.320 -10.580 1.963 1.00 11.43 H new ATOM 0 HB3 GLN A 42 -6.840 -11.739 0.755 1.00 11.43 H new ATOM 0 HG2 GLN A 42 -7.229 -8.727 0.638 1.00 34.12 H new ATOM 0 HG3 GLN A 42 -6.077 -9.663 -0.295 1.00 34.12 H new ATOM 0 HE21 GLN A 42 -9.430 -8.747 0.073 1.00 25.21 H new ATOM 0 HE22 GLN A 42 -9.985 -9.402 -1.472 1.00 25.21 H new ATOM 708 N LEU A 43 -8.314 -12.123 4.018 1.00 23.32 N ATOM 709 CA LEU A 43 -8.344 -13.232 4.933 1.00 13.11 C ATOM 710 C LEU A 43 -9.660 -13.230 5.698 1.00 55.52 C ATOM 711 O LEU A 43 -10.547 -12.416 5.418 1.00 13.10 O ATOM 712 CB LEU A 43 -7.133 -13.200 5.900 1.00 33.14 C ATOM 713 CG LEU A 43 -5.786 -13.722 5.381 1.00 24.32 C ATOM 714 CD1 LEU A 43 -5.929 -15.152 5.001 1.00 31.43 C ATOM 715 CD2 LEU A 43 -5.263 -12.910 4.208 1.00 61.41 C ATOM 0 H LEU A 43 -8.163 -11.223 4.474 1.00 23.32 H new ATOM 0 HA LEU A 43 -8.271 -14.157 4.361 1.00 13.11 H new ATOM 0 HB2 LEU A 43 -6.990 -12.169 6.223 1.00 33.14 H new ATOM 0 HB3 LEU A 43 -7.397 -13.778 6.786 1.00 33.14 H new ATOM 0 HG LEU A 43 -5.054 -13.620 6.182 1.00 24.32 H new ATOM 0 HD11 LEU A 43 -4.975 -15.527 4.632 1.00 31.43 H new ATOM 0 HD12 LEU A 43 -6.234 -15.731 5.872 1.00 31.43 H new ATOM 0 HD13 LEU A 43 -6.683 -15.247 4.220 1.00 31.43 H new ATOM 0 HD21 LEU A 43 -4.308 -13.320 3.879 1.00 61.41 H new ATOM 0 HD22 LEU A 43 -5.979 -12.953 3.387 1.00 61.41 H new ATOM 0 HD23 LEU A 43 -5.126 -11.873 4.515 1.00 61.41 H new ATOM 727 N HIS A 44 -9.799 -14.113 6.649 1.00 25.44 N ATOM 728 CA HIS A 44 -11.038 -14.223 7.381 1.00 21.31 C ATOM 729 C HIS A 44 -10.960 -13.479 8.688 1.00 4.14 C ATOM 730 O HIS A 44 -10.492 -14.011 9.693 1.00 43.42 O ATOM 731 CB HIS A 44 -11.428 -15.689 7.617 1.00 11.23 C ATOM 732 CG HIS A 44 -11.698 -16.455 6.362 1.00 14.35 C ATOM 733 ND1 HIS A 44 -10.942 -17.522 5.931 1.00 34.51 N ATOM 734 CD2 HIS A 44 -12.676 -16.296 5.438 1.00 33.33 C ATOM 735 CE1 HIS A 44 -11.463 -17.966 4.793 1.00 62.23 C ATOM 736 NE2 HIS A 44 -12.522 -17.256 4.444 1.00 22.11 N ATOM 0 H HIS A 44 -9.072 -14.768 6.937 1.00 25.44 H new ATOM 0 HA HIS A 44 -11.817 -13.766 6.770 1.00 21.31 H new ATOM 0 HB2 HIS A 44 -10.627 -16.183 8.167 1.00 11.23 H new ATOM 0 HB3 HIS A 44 -12.316 -15.721 8.248 1.00 11.23 H new ATOM 0 HD2 HIS A 44 -13.451 -15.544 5.469 1.00 33.33 H new ATOM 0 HE1 HIS A 44 -11.072 -18.799 4.227 1.00 62.23 H new ATOM 0 HE2 HIS A 44 -13.105 -17.385 3.617 1.00 22.11 H new ATOM 744 N THR A 45 -11.356 -12.242 8.668 1.00 34.31 N ATOM 745 CA THR A 45 -11.367 -11.442 9.853 1.00 34.03 C ATOM 746 C THR A 45 -12.776 -11.193 10.333 1.00 52.41 C ATOM 747 O THR A 45 -13.672 -10.849 9.555 1.00 72.13 O ATOM 748 CB THR A 45 -10.583 -10.123 9.671 1.00 53.40 C ATOM 749 OG1 THR A 45 -10.884 -9.532 8.387 1.00 23.42 O ATOM 750 CG2 THR A 45 -9.093 -10.365 9.789 1.00 25.43 C ATOM 0 H THR A 45 -11.680 -11.760 7.830 1.00 34.31 H new ATOM 0 HA THR A 45 -10.851 -12.008 10.628 1.00 34.03 H new ATOM 0 HB THR A 45 -10.888 -9.435 10.459 1.00 53.40 H new ATOM 0 HG1 THR A 45 -10.151 -9.715 7.763 1.00 23.42 H new ATOM 0 HG21 THR A 45 -8.560 -9.423 9.658 1.00 25.43 H new ATOM 0 HG22 THR A 45 -8.868 -10.775 10.773 1.00 25.43 H new ATOM 0 HG23 THR A 45 -8.777 -11.071 9.021 1.00 25.43 H new ATOM 758 N LYS A 46 -12.980 -11.434 11.589 1.00 60.25 N ATOM 759 CA LYS A 46 -14.248 -11.225 12.213 1.00 43.12 C ATOM 760 C LYS A 46 -14.277 -9.808 12.748 1.00 63.35 C ATOM 761 O LYS A 46 -13.244 -9.286 13.169 1.00 20.15 O ATOM 762 CB LYS A 46 -14.430 -12.241 13.345 1.00 4.43 C ATOM 763 CG LYS A 46 -14.371 -13.736 12.939 1.00 32.44 C ATOM 764 CD LYS A 46 -15.637 -14.291 12.237 1.00 13.52 C ATOM 765 CE LYS A 46 -15.912 -13.679 10.868 1.00 3.33 C ATOM 766 NZ LYS A 46 -16.984 -14.388 10.138 1.00 64.52 N ATOM 0 H LYS A 46 -12.260 -11.787 12.219 1.00 60.25 H new ATOM 0 HA LYS A 46 -15.062 -11.362 11.501 1.00 43.12 H new ATOM 0 HB2 LYS A 46 -13.661 -12.059 14.095 1.00 4.43 H new ATOM 0 HB3 LYS A 46 -15.392 -12.053 13.822 1.00 4.43 H new ATOM 0 HG2 LYS A 46 -13.518 -13.880 12.277 1.00 32.44 H new ATOM 0 HG3 LYS A 46 -14.184 -14.330 13.834 1.00 32.44 H new ATOM 0 HD2 LYS A 46 -15.533 -15.370 12.126 1.00 13.52 H new ATOM 0 HD3 LYS A 46 -16.500 -14.118 12.880 1.00 13.52 H new ATOM 0 HE2 LYS A 46 -16.191 -12.632 10.990 1.00 3.33 H new ATOM 0 HE3 LYS A 46 -14.998 -13.698 10.274 1.00 3.33 H new ATOM 0 HZ1 LYS A 46 -17.133 -13.935 9.214 1.00 64.52 H new ATOM 0 HZ2 LYS A 46 -16.709 -15.381 9.996 1.00 64.52 H new ATOM 0 HZ3 LYS A 46 -17.865 -14.348 10.690 1.00 64.52 H new ATOM 780 N GLY A 47 -15.423 -9.192 12.721 1.00 54.52 N ATOM 781 CA GLY A 47 -15.529 -7.826 13.158 1.00 12.01 C ATOM 782 C GLY A 47 -15.380 -6.868 12.004 1.00 52.10 C ATOM 783 O GLY A 47 -14.826 -5.779 12.150 1.00 44.34 O ATOM 0 H GLY A 47 -16.297 -9.611 12.402 1.00 54.52 H new ATOM 0 HA2 GLY A 47 -16.494 -7.670 13.640 1.00 12.01 H new ATOM 0 HA3 GLY A 47 -14.762 -7.621 13.905 1.00 12.01 H new ATOM 787 N ARG A 48 -15.876 -7.274 10.856 1.00 72.51 N ATOM 788 CA ARG A 48 -15.814 -6.469 9.658 1.00 25.24 C ATOM 789 C ARG A 48 -17.148 -6.619 8.898 1.00 14.35 C ATOM 790 O ARG A 48 -17.948 -7.520 9.216 1.00 52.22 O ATOM 791 CB ARG A 48 -14.633 -6.928 8.771 1.00 30.35 C ATOM 792 CG ARG A 48 -14.891 -8.207 8.056 1.00 23.22 C ATOM 793 CD ARG A 48 -13.773 -8.555 7.102 1.00 15.42 C ATOM 794 NE ARG A 48 -13.908 -9.920 6.592 1.00 5.24 N ATOM 795 CZ ARG A 48 -13.743 -10.301 5.319 1.00 33.12 C ATOM 796 NH1 ARG A 48 -13.669 -9.392 4.335 1.00 74.24 N ATOM 797 NH2 ARG A 48 -13.722 -11.592 5.032 1.00 44.42 N ATOM 0 H ARG A 48 -16.335 -8.176 10.728 1.00 72.51 H new ATOM 0 HA ARG A 48 -15.655 -5.423 9.919 1.00 25.24 H new ATOM 0 HB2 ARG A 48 -14.414 -6.150 8.040 1.00 30.35 H new ATOM 0 HB3 ARG A 48 -13.745 -7.041 9.392 1.00 30.35 H new ATOM 0 HG2 ARG A 48 -15.012 -9.011 8.782 1.00 23.22 H new ATOM 0 HG3 ARG A 48 -15.828 -8.132 7.505 1.00 23.22 H new ATOM 0 HD2 ARG A 48 -13.773 -7.853 6.269 1.00 15.42 H new ATOM 0 HD3 ARG A 48 -12.814 -8.448 7.609 1.00 15.42 H new ATOM 0 HE ARG A 48 -14.149 -10.646 7.267 1.00 5.24 H new ATOM 0 HH11 ARG A 48 -13.739 -8.398 4.553 1.00 74.24 H new ATOM 0 HH12 ARG A 48 -13.543 -9.695 3.369 1.00 74.24 H new ATOM 0 HH21 ARG A 48 -13.831 -12.282 5.776 1.00 44.42 H new ATOM 0 HH22 ARG A 48 -13.597 -11.898 4.067 1.00 44.42 H new ATOM 811 N PRO A 49 -17.407 -5.750 7.912 1.00 14.20 N ATOM 812 CA PRO A 49 -18.602 -5.808 7.096 1.00 21.12 C ATOM 813 C PRO A 49 -18.459 -6.855 6.008 1.00 62.32 C ATOM 814 O PRO A 49 -17.383 -7.458 5.826 1.00 31.12 O ATOM 815 CB PRO A 49 -18.706 -4.404 6.477 1.00 60.43 C ATOM 816 CG PRO A 49 -17.396 -3.720 6.737 1.00 44.25 C ATOM 817 CD PRO A 49 -16.527 -4.665 7.517 1.00 2.51 C ATOM 0 HA PRO A 49 -19.486 -6.080 7.673 1.00 21.12 H new ATOM 0 HB2 PRO A 49 -18.904 -4.467 5.407 1.00 60.43 H new ATOM 0 HB3 PRO A 49 -19.529 -3.845 6.922 1.00 60.43 H new ATOM 0 HG2 PRO A 49 -16.915 -3.447 5.798 1.00 44.25 H new ATOM 0 HG3 PRO A 49 -17.552 -2.797 7.295 1.00 44.25 H new ATOM 0 HD2 PRO A 49 -15.699 -5.030 6.910 1.00 2.51 H new ATOM 0 HD3 PRO A 49 -16.092 -4.173 8.387 1.00 2.51 H new ATOM 825 N PHE A 50 -19.508 -7.087 5.290 1.00 62.45 N ATOM 826 CA PHE A 50 -19.479 -8.071 4.263 1.00 51.12 C ATOM 827 C PHE A 50 -19.088 -7.427 2.959 1.00 52.24 C ATOM 828 O PHE A 50 -19.940 -6.894 2.231 1.00 12.04 O ATOM 829 CB PHE A 50 -20.824 -8.796 4.149 1.00 72.03 C ATOM 830 CG PHE A 50 -20.804 -9.999 3.232 1.00 41.35 C ATOM 831 CD1 PHE A 50 -20.456 -11.245 3.723 1.00 30.42 C ATOM 832 CD2 PHE A 50 -21.134 -9.883 1.887 1.00 34.43 C ATOM 833 CE1 PHE A 50 -20.434 -12.350 2.897 1.00 74.15 C ATOM 834 CE2 PHE A 50 -21.111 -10.985 1.057 1.00 63.14 C ATOM 835 CZ PHE A 50 -20.761 -12.219 1.564 1.00 10.14 C ATOM 0 H PHE A 50 -20.400 -6.605 5.398 1.00 62.45 H new ATOM 0 HA PHE A 50 -18.734 -8.825 4.518 1.00 51.12 H new ATOM 0 HB2 PHE A 50 -21.137 -9.116 5.143 1.00 72.03 H new ATOM 0 HB3 PHE A 50 -21.574 -8.092 3.790 1.00 72.03 H new ATOM 0 HD1 PHE A 50 -20.198 -11.354 4.766 1.00 30.42 H new ATOM 0 HD2 PHE A 50 -21.412 -8.919 1.487 1.00 34.43 H new ATOM 0 HE1 PHE A 50 -20.161 -13.316 3.294 1.00 74.15 H new ATOM 0 HE2 PHE A 50 -21.366 -10.882 0.013 1.00 63.14 H new ATOM 0 HZ PHE A 50 -20.743 -13.083 0.916 1.00 10.14 H new ATOM 845 N ARG A 51 -17.798 -7.360 2.745 1.00 22.02 N ATOM 846 CA ARG A 51 -17.206 -6.889 1.523 1.00 53.12 C ATOM 847 C ARG A 51 -15.706 -7.042 1.672 1.00 75.45 C ATOM 848 O ARG A 51 -15.221 -7.265 2.790 1.00 54.55 O ATOM 849 CB ARG A 51 -17.601 -5.403 1.165 1.00 25.02 C ATOM 850 CG ARG A 51 -16.599 -4.341 1.559 1.00 44.33 C ATOM 851 CD ARG A 51 -16.445 -4.180 3.050 1.00 74.22 C ATOM 852 NE ARG A 51 -15.101 -3.694 3.352 1.00 45.04 N ATOM 853 CZ ARG A 51 -14.637 -2.462 3.159 1.00 44.32 C ATOM 854 NH1 ARG A 51 -15.460 -1.423 3.070 1.00 51.15 N ATOM 855 NH2 ARG A 51 -13.325 -2.267 3.150 1.00 64.43 N ATOM 0 H ARG A 51 -17.109 -7.642 3.442 1.00 22.02 H new ATOM 0 HA ARG A 51 -17.585 -7.481 0.690 1.00 53.12 H new ATOM 0 HB2 ARG A 51 -17.764 -5.340 0.089 1.00 25.02 H new ATOM 0 HB3 ARG A 51 -18.552 -5.174 1.646 1.00 25.02 H new ATOM 0 HG2 ARG A 51 -15.630 -4.590 1.127 1.00 44.33 H new ATOM 0 HG3 ARG A 51 -16.905 -3.387 1.129 1.00 44.33 H new ATOM 0 HD2 ARG A 51 -17.190 -3.481 3.430 1.00 74.22 H new ATOM 0 HD3 ARG A 51 -16.619 -5.133 3.549 1.00 74.22 H new ATOM 0 HE ARG A 51 -14.450 -4.370 3.753 1.00 45.04 H new ATOM 0 HH11 ARG A 51 -16.467 -1.562 3.150 1.00 51.15 H new ATOM 0 HH12 ARG A 51 -15.085 -0.486 2.922 1.00 51.15 H new ATOM 0 HH21 ARG A 51 -12.691 -3.054 3.289 1.00 64.43 H new ATOM 0 HH22 ARG A 51 -12.950 -1.330 3.004 1.00 64.43 H new ATOM 869 N GLY A 52 -15.000 -6.953 0.600 1.00 22.14 N ATOM 870 CA GLY A 52 -13.578 -6.968 0.650 1.00 53.52 C ATOM 871 C GLY A 52 -13.087 -5.956 -0.305 1.00 51.02 C ATOM 872 O GLY A 52 -13.533 -5.954 -1.454 1.00 31.14 O ATOM 0 H GLY A 52 -15.391 -6.868 -0.338 1.00 22.14 H new ATOM 0 HA2 GLY A 52 -13.228 -6.745 1.658 1.00 53.52 H new ATOM 0 HA3 GLY A 52 -13.196 -7.956 0.391 1.00 53.52 H new ATOM 876 N MET A 53 -12.266 -5.037 0.153 1.00 14.33 N ATOM 877 CA MET A 53 -11.739 -4.006 -0.695 1.00 73.21 C ATOM 878 C MET A 53 -10.959 -4.622 -1.871 1.00 41.43 C ATOM 879 O MET A 53 -9.893 -5.225 -1.676 1.00 11.10 O ATOM 880 CB MET A 53 -10.886 -3.046 0.140 1.00 1.13 C ATOM 881 CG MET A 53 -10.509 -1.811 -0.610 1.00 74.41 C ATOM 882 SD MET A 53 -9.909 -0.465 0.421 1.00 65.24 S ATOM 883 CE MET A 53 -8.307 -1.089 0.853 1.00 24.15 C ATOM 0 H MET A 53 -11.949 -4.988 1.121 1.00 14.33 H new ATOM 0 HA MET A 53 -12.555 -3.430 -1.131 1.00 73.21 H new ATOM 0 HB2 MET A 53 -11.435 -2.767 1.039 1.00 1.13 H new ATOM 0 HB3 MET A 53 -9.981 -3.559 0.465 1.00 1.13 H new ATOM 0 HG2 MET A 53 -9.739 -2.065 -1.339 1.00 74.41 H new ATOM 0 HG3 MET A 53 -11.376 -1.463 -1.171 1.00 74.41 H new ATOM 0 HE1 MET A 53 -8.007 -0.684 1.819 1.00 24.15 H new ATOM 0 HE2 MET A 53 -8.344 -2.177 0.911 1.00 24.15 H new ATOM 0 HE3 MET A 53 -7.584 -0.791 0.094 1.00 24.15 H new ATOM 893 N SER A 54 -11.532 -4.501 -3.069 1.00 51.55 N ATOM 894 CA SER A 54 -10.984 -5.081 -4.286 1.00 4.14 C ATOM 895 C SER A 54 -9.702 -4.360 -4.649 1.00 25.51 C ATOM 896 O SER A 54 -9.602 -3.176 -4.421 1.00 65.23 O ATOM 897 CB SER A 54 -12.007 -4.901 -5.416 1.00 4.44 C ATOM 898 OG SER A 54 -13.298 -5.357 -5.019 1.00 63.24 O ATOM 0 H SER A 54 -12.402 -3.989 -3.219 1.00 51.55 H new ATOM 0 HA SER A 54 -10.774 -6.140 -4.137 1.00 4.14 H new ATOM 0 HB2 SER A 54 -12.060 -3.849 -5.698 1.00 4.44 H new ATOM 0 HB3 SER A 54 -11.679 -5.451 -6.298 1.00 4.44 H new ATOM 0 HG SER A 54 -13.752 -4.653 -4.511 1.00 63.24 H new ATOM 904 N GLU A 55 -8.773 -5.058 -5.275 1.00 40.13 N ATOM 905 CA GLU A 55 -7.459 -4.560 -5.618 1.00 32.51 C ATOM 906 C GLU A 55 -7.539 -3.247 -6.399 1.00 50.43 C ATOM 907 O GLU A 55 -6.807 -2.299 -6.120 1.00 34.32 O ATOM 908 CB GLU A 55 -6.774 -5.620 -6.437 1.00 72.40 C ATOM 909 CG GLU A 55 -5.330 -5.369 -6.694 1.00 21.45 C ATOM 910 CD GLU A 55 -4.718 -6.441 -7.550 1.00 61.53 C ATOM 911 OE1 GLU A 55 -4.522 -7.566 -7.066 1.00 35.01 O ATOM 912 OE2 GLU A 55 -4.427 -6.188 -8.747 1.00 61.33 O ATOM 0 H GLU A 55 -8.921 -6.024 -5.569 1.00 40.13 H new ATOM 0 HA GLU A 55 -6.897 -4.348 -4.709 1.00 32.51 H new ATOM 0 HB2 GLU A 55 -6.877 -6.578 -5.927 1.00 72.40 H new ATOM 0 HB3 GLU A 55 -7.289 -5.711 -7.393 1.00 72.40 H new ATOM 0 HG2 GLU A 55 -5.211 -4.402 -7.183 1.00 21.45 H new ATOM 0 HG3 GLU A 55 -4.797 -5.314 -5.745 1.00 21.45 H new ATOM 919 N GLU A 56 -8.462 -3.192 -7.330 1.00 62.03 N ATOM 920 CA GLU A 56 -8.667 -2.023 -8.150 1.00 13.31 C ATOM 921 C GLU A 56 -9.118 -0.815 -7.306 1.00 1.00 C ATOM 922 O GLU A 56 -8.638 0.305 -7.511 1.00 33.00 O ATOM 923 CB GLU A 56 -9.691 -2.337 -9.217 1.00 64.31 C ATOM 924 CG GLU A 56 -9.884 -1.243 -10.230 1.00 62.23 C ATOM 925 CD GLU A 56 -10.932 -1.599 -11.226 1.00 71.01 C ATOM 926 OE1 GLU A 56 -10.686 -2.483 -12.062 1.00 32.10 O ATOM 927 OE2 GLU A 56 -12.026 -1.001 -11.193 1.00 52.30 O ATOM 0 H GLU A 56 -9.096 -3.963 -7.541 1.00 62.03 H new ATOM 0 HA GLU A 56 -7.720 -1.755 -8.619 1.00 13.31 H new ATOM 0 HB2 GLU A 56 -9.391 -3.248 -9.736 1.00 64.31 H new ATOM 0 HB3 GLU A 56 -10.647 -2.544 -8.737 1.00 64.31 H new ATOM 0 HG2 GLU A 56 -10.163 -0.320 -9.721 1.00 62.23 H new ATOM 0 HG3 GLU A 56 -8.942 -1.052 -10.744 1.00 62.23 H new ATOM 934 N GLU A 57 -10.002 -1.056 -6.339 1.00 12.35 N ATOM 935 CA GLU A 57 -10.516 0.017 -5.497 1.00 64.22 C ATOM 936 C GLU A 57 -9.497 0.323 -4.393 1.00 50.21 C ATOM 937 O GLU A 57 -9.442 1.430 -3.861 1.00 33.40 O ATOM 938 CB GLU A 57 -11.902 -0.338 -4.933 1.00 53.01 C ATOM 939 CG GLU A 57 -11.860 -1.120 -3.669 1.00 11.30 C ATOM 940 CD GLU A 57 -13.218 -1.581 -3.185 1.00 73.31 C ATOM 941 OE1 GLU A 57 -13.934 -0.791 -2.542 1.00 51.20 O ATOM 942 OE2 GLU A 57 -13.587 -2.768 -3.411 1.00 0.31 O ATOM 0 H GLU A 57 -10.374 -1.981 -6.122 1.00 12.35 H new ATOM 0 HA GLU A 57 -10.652 0.918 -6.095 1.00 64.22 H new ATOM 0 HB2 GLU A 57 -12.459 0.583 -4.760 1.00 53.01 H new ATOM 0 HB3 GLU A 57 -12.452 -0.907 -5.682 1.00 53.01 H new ATOM 0 HG2 GLU A 57 -11.222 -1.992 -3.814 1.00 11.30 H new ATOM 0 HG3 GLU A 57 -11.396 -0.512 -2.893 1.00 11.30 H new ATOM 949 N VAL A 58 -8.672 -0.678 -4.084 1.00 3.23 N ATOM 950 CA VAL A 58 -7.578 -0.542 -3.180 1.00 30.54 C ATOM 951 C VAL A 58 -6.618 0.472 -3.753 1.00 33.41 C ATOM 952 O VAL A 58 -6.278 1.468 -3.104 1.00 10.24 O ATOM 953 CB VAL A 58 -6.847 -1.906 -3.001 1.00 42.24 C ATOM 954 CG1 VAL A 58 -5.492 -1.742 -2.379 1.00 23.11 C ATOM 955 CG2 VAL A 58 -7.661 -2.848 -2.163 1.00 54.35 C ATOM 0 H VAL A 58 -8.765 -1.616 -4.474 1.00 3.23 H new ATOM 0 HA VAL A 58 -7.944 -0.218 -2.206 1.00 30.54 H new ATOM 0 HB VAL A 58 -6.721 -2.322 -4.001 1.00 42.24 H new ATOM 0 HG11 VAL A 58 -5.019 -2.719 -2.273 1.00 23.11 H new ATOM 0 HG12 VAL A 58 -4.875 -1.107 -3.014 1.00 23.11 H new ATOM 0 HG13 VAL A 58 -5.596 -1.281 -1.397 1.00 23.11 H new ATOM 0 HG21 VAL A 58 -7.127 -3.792 -2.054 1.00 54.35 H new ATOM 0 HG22 VAL A 58 -7.827 -2.409 -1.179 1.00 54.35 H new ATOM 0 HG23 VAL A 58 -8.621 -3.028 -2.646 1.00 54.35 H new ATOM 965 N PHE A 59 -6.245 0.236 -5.009 1.00 14.53 N ATOM 966 CA PHE A 59 -5.329 1.084 -5.729 1.00 11.33 C ATOM 967 C PHE A 59 -5.865 2.507 -5.805 1.00 35.14 C ATOM 968 O PHE A 59 -5.102 3.446 -5.767 1.00 32.30 O ATOM 969 CB PHE A 59 -5.047 0.510 -7.127 1.00 42.53 C ATOM 970 CG PHE A 59 -3.970 1.243 -7.891 1.00 70.05 C ATOM 971 CD1 PHE A 59 -2.632 0.960 -7.661 1.00 73.23 C ATOM 972 CD2 PHE A 59 -4.292 2.208 -8.835 1.00 61.24 C ATOM 973 CE1 PHE A 59 -1.637 1.625 -8.352 1.00 0.13 C ATOM 974 CE2 PHE A 59 -3.301 2.876 -9.530 1.00 42.41 C ATOM 975 CZ PHE A 59 -1.972 2.584 -9.288 1.00 0.03 C ATOM 0 H PHE A 59 -6.580 -0.560 -5.551 1.00 14.53 H new ATOM 0 HA PHE A 59 -4.383 1.116 -5.188 1.00 11.33 H new ATOM 0 HB2 PHE A 59 -4.758 -0.536 -7.026 1.00 42.53 H new ATOM 0 HB3 PHE A 59 -5.968 0.531 -7.709 1.00 42.53 H new ATOM 0 HD1 PHE A 59 -2.364 0.210 -6.932 1.00 73.23 H new ATOM 0 HD2 PHE A 59 -5.329 2.440 -9.029 1.00 61.24 H new ATOM 0 HE1 PHE A 59 -0.599 1.395 -8.161 1.00 0.13 H new ATOM 0 HE2 PHE A 59 -3.565 3.625 -10.261 1.00 42.41 H new ATOM 0 HZ PHE A 59 -1.197 3.105 -9.830 1.00 0.03 H new ATOM 985 N THR A 60 -7.182 2.655 -5.863 1.00 35.51 N ATOM 986 CA THR A 60 -7.813 3.905 -5.864 1.00 14.24 C ATOM 987 C THR A 60 -7.508 4.698 -4.579 1.00 33.45 C ATOM 988 O THR A 60 -7.110 5.873 -4.652 1.00 24.11 O ATOM 989 CB THR A 60 -9.303 3.678 -5.986 1.00 71.21 C ATOM 990 OG1 THR A 60 -9.592 3.062 -7.244 1.00 21.21 O ATOM 991 CG2 THR A 60 -10.026 4.955 -5.852 1.00 61.22 C ATOM 0 H THR A 60 -7.830 1.869 -5.911 1.00 35.51 H new ATOM 0 HA THR A 60 -7.439 4.492 -6.703 1.00 14.24 H new ATOM 0 HB THR A 60 -9.634 3.016 -5.186 1.00 71.21 H new ATOM 0 HG1 THR A 60 -9.267 2.137 -7.238 1.00 21.21 H new ATOM 0 HG21 THR A 60 -11.098 4.778 -5.942 1.00 61.22 H new ATOM 0 HG22 THR A 60 -9.811 5.394 -4.878 1.00 61.22 H new ATOM 0 HG23 THR A 60 -9.705 5.639 -6.637 1.00 61.22 H new ATOM 999 N GLU A 61 -7.631 4.052 -3.421 1.00 33.05 N ATOM 1000 CA GLU A 61 -7.428 4.731 -2.176 1.00 74.34 C ATOM 1001 C GLU A 61 -5.969 5.051 -1.985 1.00 11.05 C ATOM 1002 O GLU A 61 -5.620 6.078 -1.422 1.00 13.25 O ATOM 1003 CB GLU A 61 -7.948 3.903 -1.031 1.00 43.54 C ATOM 1004 CG GLU A 61 -9.436 3.775 -1.058 1.00 52.42 C ATOM 1005 CD GLU A 61 -10.131 5.100 -0.883 1.00 12.25 C ATOM 1006 OE1 GLU A 61 -10.037 5.695 0.219 1.00 51.25 O ATOM 1007 OE2 GLU A 61 -10.779 5.576 -1.842 1.00 22.50 O ATOM 0 H GLU A 61 -7.870 3.064 -3.335 1.00 33.05 H new ATOM 0 HA GLU A 61 -7.984 5.668 -2.197 1.00 74.34 H new ATOM 0 HB2 GLU A 61 -7.499 2.911 -1.069 1.00 43.54 H new ATOM 0 HB3 GLU A 61 -7.641 4.356 -0.088 1.00 43.54 H new ATOM 0 HG2 GLU A 61 -9.742 3.330 -2.005 1.00 52.42 H new ATOM 0 HG3 GLU A 61 -9.754 3.094 -0.268 1.00 52.42 H new ATOM 1014 N VAL A 62 -5.125 4.177 -2.498 1.00 14.33 N ATOM 1015 CA VAL A 62 -3.688 4.354 -2.441 1.00 13.01 C ATOM 1016 C VAL A 62 -3.265 5.476 -3.407 1.00 75.10 C ATOM 1017 O VAL A 62 -2.409 6.292 -3.092 1.00 5.12 O ATOM 1018 CB VAL A 62 -2.950 3.031 -2.772 1.00 54.22 C ATOM 1019 CG1 VAL A 62 -1.462 3.180 -2.592 1.00 51.34 C ATOM 1020 CG2 VAL A 62 -3.455 1.915 -1.882 1.00 2.23 C ATOM 0 H VAL A 62 -5.419 3.321 -2.968 1.00 14.33 H new ATOM 0 HA VAL A 62 -3.410 4.638 -1.426 1.00 13.01 H new ATOM 0 HB VAL A 62 -3.152 2.787 -3.815 1.00 54.22 H new ATOM 0 HG11 VAL A 62 -0.970 2.237 -2.831 1.00 51.34 H new ATOM 0 HG12 VAL A 62 -1.092 3.961 -3.256 1.00 51.34 H new ATOM 0 HG13 VAL A 62 -1.246 3.450 -1.558 1.00 51.34 H new ATOM 0 HG21 VAL A 62 -2.930 0.991 -2.124 1.00 2.23 H new ATOM 0 HG22 VAL A 62 -3.275 2.172 -0.838 1.00 2.23 H new ATOM 0 HG23 VAL A 62 -4.524 1.777 -2.043 1.00 2.23 H new ATOM 1030 N ALA A 63 -3.914 5.534 -4.560 1.00 60.51 N ATOM 1031 CA ALA A 63 -3.680 6.600 -5.537 1.00 3.21 C ATOM 1032 C ALA A 63 -4.108 7.927 -4.957 1.00 43.41 C ATOM 1033 O ALA A 63 -3.516 8.942 -5.221 1.00 61.20 O ATOM 1034 CB ALA A 63 -4.421 6.324 -6.841 1.00 62.01 C ATOM 0 H ALA A 63 -4.614 4.851 -4.849 1.00 60.51 H new ATOM 0 HA ALA A 63 -2.614 6.634 -5.762 1.00 3.21 H new ATOM 0 HB1 ALA A 63 -4.229 7.132 -7.547 1.00 62.01 H new ATOM 0 HB2 ALA A 63 -4.074 5.382 -7.265 1.00 62.01 H new ATOM 0 HB3 ALA A 63 -5.491 6.261 -6.645 1.00 62.01 H new ATOM 1040 N ASN A 64 -5.142 7.871 -4.157 1.00 25.42 N ATOM 1041 CA ASN A 64 -5.700 9.011 -3.430 1.00 50.24 C ATOM 1042 C ASN A 64 -4.812 9.422 -2.271 1.00 35.31 C ATOM 1043 O ASN A 64 -4.752 10.593 -1.894 1.00 41.24 O ATOM 1044 CB ASN A 64 -7.107 8.638 -2.976 1.00 14.01 C ATOM 1045 CG ASN A 64 -7.571 9.229 -1.656 1.00 34.15 C ATOM 1046 OD1 ASN A 64 -8.113 10.341 -1.594 1.00 71.31 O ATOM 1047 ND2 ASN A 64 -7.409 8.461 -0.603 1.00 4.34 N ATOM 0 H ASN A 64 -5.646 7.002 -3.979 1.00 25.42 H new ATOM 0 HA ASN A 64 -5.751 9.882 -4.083 1.00 50.24 H new ATOM 0 HB2 ASN A 64 -7.808 8.944 -3.752 1.00 14.01 H new ATOM 0 HB3 ASN A 64 -7.166 7.552 -2.903 1.00 14.01 H new ATOM 0 HD21 ASN A 64 -7.735 8.774 0.311 1.00 4.34 H new ATOM 0 HD22 ASN A 64 -6.957 7.552 -0.700 1.00 4.34 H new ATOM 1054 N LEU A 65 -4.125 8.468 -1.741 1.00 14.11 N ATOM 1055 CA LEU A 65 -3.249 8.649 -0.645 1.00 70.34 C ATOM 1056 C LEU A 65 -2.033 9.439 -1.154 1.00 31.24 C ATOM 1057 O LEU A 65 -1.644 10.456 -0.589 1.00 63.23 O ATOM 1058 CB LEU A 65 -2.830 7.257 -0.206 1.00 53.34 C ATOM 1059 CG LEU A 65 -2.319 7.014 1.178 1.00 25.02 C ATOM 1060 CD1 LEU A 65 -1.044 7.715 1.416 1.00 23.52 C ATOM 1061 CD2 LEU A 65 -3.323 7.343 2.224 1.00 63.25 C ATOM 0 H LEU A 65 -4.163 7.505 -2.076 1.00 14.11 H new ATOM 0 HA LEU A 65 -3.704 9.188 0.185 1.00 70.34 H new ATOM 0 HB2 LEU A 65 -3.690 6.603 -0.350 1.00 53.34 H new ATOM 0 HB3 LEU A 65 -2.056 6.922 -0.897 1.00 53.34 H new ATOM 0 HG LEU A 65 -2.129 5.943 1.254 1.00 25.02 H new ATOM 0 HD11 LEU A 65 -0.703 7.515 2.432 1.00 23.52 H new ATOM 0 HD12 LEU A 65 -0.296 7.361 0.706 1.00 23.52 H new ATOM 0 HD13 LEU A 65 -1.189 8.788 1.286 1.00 23.52 H new ATOM 0 HD21 LEU A 65 -2.899 7.148 3.209 1.00 63.25 H new ATOM 0 HD22 LEU A 65 -3.596 8.396 2.148 1.00 63.25 H new ATOM 0 HD23 LEU A 65 -4.211 6.727 2.083 1.00 63.25 H new ATOM 1073 N PHE A 66 -1.466 8.967 -2.244 1.00 23.24 N ATOM 1074 CA PHE A 66 -0.309 9.590 -2.837 1.00 54.05 C ATOM 1075 C PHE A 66 -0.728 10.278 -4.135 1.00 13.23 C ATOM 1076 O PHE A 66 -0.171 9.993 -5.201 1.00 22.11 O ATOM 1077 CB PHE A 66 0.768 8.541 -3.166 1.00 4.43 C ATOM 1078 CG PHE A 66 1.074 7.558 -2.065 1.00 11.01 C ATOM 1079 CD1 PHE A 66 1.745 7.952 -0.933 1.00 43.54 C ATOM 1080 CD2 PHE A 66 0.692 6.234 -2.179 1.00 44.13 C ATOM 1081 CE1 PHE A 66 2.025 7.050 0.068 1.00 24.33 C ATOM 1082 CE2 PHE A 66 0.972 5.328 -1.183 1.00 13.22 C ATOM 1083 CZ PHE A 66 1.638 5.736 -0.058 1.00 70.23 C ATOM 0 H PHE A 66 -1.797 8.140 -2.742 1.00 23.24 H new ATOM 0 HA PHE A 66 0.100 10.310 -2.129 1.00 54.05 H new ATOM 0 HB2 PHE A 66 0.451 7.985 -4.048 1.00 4.43 H new ATOM 0 HB3 PHE A 66 1.688 9.061 -3.431 1.00 4.43 H new ATOM 0 HD1 PHE A 66 2.056 8.981 -0.827 1.00 43.54 H new ATOM 0 HD2 PHE A 66 0.166 5.906 -3.063 1.00 44.13 H new ATOM 0 HE1 PHE A 66 2.550 7.375 0.954 1.00 24.33 H new ATOM 0 HE2 PHE A 66 0.667 4.297 -1.288 1.00 13.22 H new ATOM 0 HZ PHE A 66 1.859 5.028 0.728 1.00 70.23 H new ATOM 1093 N ARG A 67 -1.712 11.170 -4.055 1.00 14.42 N ATOM 1094 CA ARG A 67 -2.193 11.862 -5.249 1.00 25.14 C ATOM 1095 C ARG A 67 -1.075 12.689 -5.861 1.00 10.40 C ATOM 1096 O ARG A 67 -0.347 13.384 -5.149 1.00 32.12 O ATOM 1097 CB ARG A 67 -3.391 12.782 -4.981 1.00 3.52 C ATOM 1098 CG ARG A 67 -4.694 12.127 -4.634 1.00 24.31 C ATOM 1099 CD ARG A 67 -5.249 11.351 -5.819 1.00 42.25 C ATOM 1100 NE ARG A 67 -5.376 12.144 -7.038 1.00 74.44 N ATOM 1101 CZ ARG A 67 -5.800 11.658 -8.209 1.00 4.43 C ATOM 1102 NH1 ARG A 67 -6.301 10.423 -8.278 1.00 44.44 N ATOM 1103 NH2 ARG A 67 -5.762 12.414 -9.296 1.00 14.14 N ATOM 0 H ARG A 67 -2.186 11.429 -3.190 1.00 14.42 H new ATOM 0 HA ARG A 67 -2.524 11.082 -5.934 1.00 25.14 H new ATOM 0 HB2 ARG A 67 -3.124 13.455 -4.167 1.00 3.52 H new ATOM 0 HB3 ARG A 67 -3.548 13.399 -5.866 1.00 3.52 H new ATOM 0 HG2 ARG A 67 -4.552 11.454 -3.789 1.00 24.31 H new ATOM 0 HG3 ARG A 67 -5.413 12.884 -4.322 1.00 24.31 H new ATOM 0 HD2 ARG A 67 -4.600 10.498 -6.018 1.00 42.25 H new ATOM 0 HD3 ARG A 67 -6.228 10.952 -5.553 1.00 42.25 H new ATOM 0 HE ARG A 67 -5.125 13.132 -6.993 1.00 74.44 H new ATOM 0 HH11 ARG A 67 -6.361 9.849 -7.437 1.00 44.44 H new ATOM 0 HH12 ARG A 67 -6.624 10.053 -9.172 1.00 44.44 H new ATOM 0 HH21 ARG A 67 -5.409 13.369 -9.241 1.00 14.14 H new ATOM 0 HH22 ARG A 67 -6.086 12.041 -10.188 1.00 14.14 H new ATOM 1117 N GLY A 68 -0.909 12.580 -7.158 1.00 20.20 N ATOM 1118 CA GLY A 68 0.121 13.323 -7.852 1.00 41.12 C ATOM 1119 C GLY A 68 1.429 12.563 -7.881 1.00 71.04 C ATOM 1120 O GLY A 68 2.224 12.690 -8.812 1.00 34.41 O ATOM 0 H GLY A 68 -1.476 11.981 -7.758 1.00 20.20 H new ATOM 0 HA2 GLY A 68 -0.203 13.530 -8.872 1.00 41.12 H new ATOM 0 HA3 GLY A 68 0.269 14.286 -7.363 1.00 41.12 H new ATOM 1124 N GLN A 69 1.650 11.767 -6.869 1.00 14.30 N ATOM 1125 CA GLN A 69 2.832 10.974 -6.736 1.00 12.21 C ATOM 1126 C GLN A 69 2.643 9.639 -7.443 1.00 33.32 C ATOM 1127 O GLN A 69 2.630 8.580 -6.808 1.00 32.14 O ATOM 1128 CB GLN A 69 3.102 10.743 -5.262 1.00 63.44 C ATOM 1129 CG GLN A 69 3.322 12.010 -4.458 1.00 62.52 C ATOM 1130 CD GLN A 69 4.612 12.688 -4.776 1.00 54.21 C ATOM 1131 OE1 GLN A 69 5.644 12.397 -4.182 1.00 12.44 O ATOM 1132 NE2 GLN A 69 4.565 13.611 -5.658 1.00 74.00 N ATOM 0 H GLN A 69 0.993 11.653 -6.097 1.00 14.30 H new ATOM 0 HA GLN A 69 3.677 11.493 -7.189 1.00 12.21 H new ATOM 0 HB2 GLN A 69 2.262 10.196 -4.833 1.00 63.44 H new ATOM 0 HB3 GLN A 69 3.981 10.107 -5.162 1.00 63.44 H new ATOM 0 HG2 GLN A 69 2.500 12.700 -4.646 1.00 62.52 H new ATOM 0 HG3 GLN A 69 3.298 11.768 -3.396 1.00 62.52 H new ATOM 0 HE21 GLN A 69 3.685 13.822 -6.129 1.00 74.00 H new ATOM 0 HE22 GLN A 69 5.407 14.137 -5.891 1.00 74.00 H new ATOM 1141 N GLU A 70 2.512 9.691 -8.767 1.00 44.15 N ATOM 1142 CA GLU A 70 2.321 8.492 -9.593 1.00 33.11 C ATOM 1143 C GLU A 70 3.499 7.556 -9.421 1.00 72.20 C ATOM 1144 O GLU A 70 3.359 6.343 -9.497 1.00 31.00 O ATOM 1145 CB GLU A 70 2.175 8.856 -11.061 1.00 0.33 C ATOM 1146 CG GLU A 70 1.034 9.796 -11.368 1.00 14.52 C ATOM 1147 CD GLU A 70 0.972 10.120 -12.830 1.00 3.23 C ATOM 1148 OE1 GLU A 70 1.811 10.905 -13.307 1.00 53.43 O ATOM 1149 OE2 GLU A 70 0.078 9.602 -13.540 1.00 65.43 O ATOM 0 H GLU A 70 2.535 10.561 -9.300 1.00 44.15 H new ATOM 0 HA GLU A 70 1.406 7.998 -9.266 1.00 33.11 H new ATOM 0 HB2 GLU A 70 3.105 9.311 -11.403 1.00 0.33 H new ATOM 0 HB3 GLU A 70 2.038 7.940 -11.636 1.00 0.33 H new ATOM 0 HG2 GLU A 70 0.093 9.344 -11.054 1.00 14.52 H new ATOM 0 HG3 GLU A 70 1.153 10.715 -10.795 1.00 14.52 H new ATOM 1156 N ASP A 71 4.638 8.154 -9.162 1.00 24.33 N ATOM 1157 CA ASP A 71 5.888 7.468 -8.887 1.00 52.31 C ATOM 1158 C ASP A 71 5.709 6.453 -7.757 1.00 32.21 C ATOM 1159 O ASP A 71 6.111 5.291 -7.867 1.00 72.31 O ATOM 1160 CB ASP A 71 6.924 8.516 -8.482 1.00 32.25 C ATOM 1161 CG ASP A 71 8.261 7.937 -8.132 1.00 4.54 C ATOM 1162 OD1 ASP A 71 9.105 7.791 -9.034 1.00 51.24 O ATOM 1163 OD2 ASP A 71 8.509 7.649 -6.949 1.00 1.03 O ATOM 0 H ASP A 71 4.728 9.170 -9.135 1.00 24.33 H new ATOM 0 HA ASP A 71 6.215 6.928 -9.776 1.00 52.31 H new ATOM 0 HB2 ASP A 71 7.048 9.226 -9.299 1.00 32.25 H new ATOM 0 HB3 ASP A 71 6.546 9.077 -7.627 1.00 32.25 H new ATOM 1168 N LEU A 72 5.045 6.886 -6.703 1.00 15.25 N ATOM 1169 CA LEU A 72 4.817 6.047 -5.547 1.00 31.31 C ATOM 1170 C LEU A 72 3.742 5.001 -5.844 1.00 35.32 C ATOM 1171 O LEU A 72 3.775 3.879 -5.332 1.00 4.42 O ATOM 1172 CB LEU A 72 4.421 6.899 -4.331 1.00 4.05 C ATOM 1173 CG LEU A 72 5.447 7.945 -3.865 1.00 62.02 C ATOM 1174 CD1 LEU A 72 4.908 8.725 -2.684 1.00 21.43 C ATOM 1175 CD2 LEU A 72 6.772 7.294 -3.500 1.00 62.44 C ATOM 0 H LEU A 72 4.651 7.824 -6.626 1.00 15.25 H new ATOM 0 HA LEU A 72 5.746 5.526 -5.313 1.00 31.31 H new ATOM 0 HB2 LEU A 72 3.489 7.415 -4.564 1.00 4.05 H new ATOM 0 HB3 LEU A 72 4.214 6.228 -3.497 1.00 4.05 H new ATOM 0 HG LEU A 72 5.623 8.631 -4.694 1.00 62.02 H new ATOM 0 HD11 LEU A 72 5.647 9.461 -2.367 1.00 21.43 H new ATOM 0 HD12 LEU A 72 3.989 9.235 -2.973 1.00 21.43 H new ATOM 0 HD13 LEU A 72 4.700 8.041 -1.861 1.00 21.43 H new ATOM 0 HD21 LEU A 72 7.476 8.060 -3.175 1.00 62.44 H new ATOM 0 HD22 LEU A 72 6.616 6.578 -2.693 1.00 62.44 H new ATOM 0 HD23 LEU A 72 7.175 6.777 -4.371 1.00 62.44 H new ATOM 1187 N LEU A 73 2.827 5.359 -6.706 1.00 64.13 N ATOM 1188 CA LEU A 73 1.711 4.492 -7.057 1.00 54.40 C ATOM 1189 C LEU A 73 2.215 3.338 -7.914 1.00 30.31 C ATOM 1190 O LEU A 73 1.783 2.189 -7.754 1.00 13.04 O ATOM 1191 CB LEU A 73 0.643 5.304 -7.800 1.00 33.24 C ATOM 1192 CG LEU A 73 0.195 6.596 -7.100 1.00 62.02 C ATOM 1193 CD1 LEU A 73 -0.867 7.331 -7.873 1.00 33.25 C ATOM 1194 CD2 LEU A 73 -0.275 6.331 -5.700 1.00 41.21 C ATOM 0 H LEU A 73 2.826 6.257 -7.189 1.00 64.13 H new ATOM 0 HA LEU A 73 1.262 4.080 -6.153 1.00 54.40 H new ATOM 0 HB2 LEU A 73 1.027 5.560 -8.788 1.00 33.24 H new ATOM 0 HB3 LEU A 73 -0.231 4.671 -7.952 1.00 33.24 H new ATOM 0 HG LEU A 73 1.076 7.237 -7.056 1.00 62.02 H new ATOM 0 HD11 LEU A 73 -1.148 8.236 -7.335 1.00 33.25 H new ATOM 0 HD12 LEU A 73 -0.481 7.599 -8.857 1.00 33.25 H new ATOM 0 HD13 LEU A 73 -1.742 6.691 -7.988 1.00 33.25 H new ATOM 0 HD21 LEU A 73 -0.584 7.268 -5.236 1.00 41.21 H new ATOM 0 HD22 LEU A 73 -1.120 5.642 -5.724 1.00 41.21 H new ATOM 0 HD23 LEU A 73 0.536 5.890 -5.121 1.00 41.21 H new ATOM 1206 N SER A 74 3.172 3.639 -8.777 1.00 50.01 N ATOM 1207 CA SER A 74 3.788 2.648 -9.623 1.00 64.33 C ATOM 1208 C SER A 74 4.539 1.614 -8.787 1.00 1.54 C ATOM 1209 O SER A 74 4.413 0.424 -9.018 1.00 25.30 O ATOM 1210 CB SER A 74 4.719 3.325 -10.624 1.00 1.32 C ATOM 1211 OG SER A 74 3.992 4.244 -11.428 1.00 13.41 O ATOM 0 H SER A 74 3.539 4.582 -8.905 1.00 50.01 H new ATOM 0 HA SER A 74 3.009 2.123 -10.175 1.00 64.33 H new ATOM 0 HB2 SER A 74 5.517 3.846 -10.095 1.00 1.32 H new ATOM 0 HB3 SER A 74 5.193 2.574 -11.256 1.00 1.32 H new ATOM 0 HG SER A 74 3.730 5.017 -10.886 1.00 13.41 H new ATOM 1217 N GLU A 75 5.268 2.076 -7.774 1.00 34.25 N ATOM 1218 CA GLU A 75 6.028 1.178 -6.904 1.00 61.43 C ATOM 1219 C GLU A 75 5.125 0.237 -6.132 1.00 20.02 C ATOM 1220 O GLU A 75 5.523 -0.891 -5.807 1.00 75.23 O ATOM 1221 CB GLU A 75 6.913 1.951 -5.954 1.00 33.33 C ATOM 1222 CG GLU A 75 8.026 2.688 -6.642 1.00 55.53 C ATOM 1223 CD GLU A 75 8.885 1.758 -7.447 1.00 13.02 C ATOM 1224 OE1 GLU A 75 9.713 1.038 -6.852 1.00 63.31 O ATOM 1225 OE2 GLU A 75 8.735 1.718 -8.683 1.00 11.10 O ATOM 0 H GLU A 75 5.349 3.064 -7.535 1.00 34.25 H new ATOM 0 HA GLU A 75 6.661 0.575 -7.554 1.00 61.43 H new ATOM 0 HB2 GLU A 75 6.303 2.664 -5.400 1.00 33.33 H new ATOM 0 HB3 GLU A 75 7.340 1.262 -5.225 1.00 33.33 H new ATOM 0 HG2 GLU A 75 7.608 3.455 -7.294 1.00 55.53 H new ATOM 0 HG3 GLU A 75 8.638 3.200 -5.900 1.00 55.53 H new ATOM 1232 N PHE A 76 3.924 0.698 -5.850 1.00 13.43 N ATOM 1233 CA PHE A 76 2.921 -0.097 -5.182 1.00 20.30 C ATOM 1234 C PHE A 76 2.460 -1.207 -6.115 1.00 23.13 C ATOM 1235 O PHE A 76 2.590 -2.382 -5.782 1.00 2.43 O ATOM 1236 CB PHE A 76 1.760 0.807 -4.733 1.00 71.51 C ATOM 1237 CG PHE A 76 0.688 0.109 -3.950 1.00 61.10 C ATOM 1238 CD1 PHE A 76 0.980 -0.496 -2.736 1.00 52.54 C ATOM 1239 CD2 PHE A 76 -0.609 0.077 -4.418 1.00 65.34 C ATOM 1240 CE1 PHE A 76 -0.005 -1.127 -2.006 1.00 1.13 C ATOM 1241 CE2 PHE A 76 -1.605 -0.554 -3.691 1.00 15.34 C ATOM 1242 CZ PHE A 76 -1.299 -1.159 -2.480 1.00 23.20 C ATOM 0 H PHE A 76 3.617 1.643 -6.081 1.00 13.43 H new ATOM 0 HA PHE A 76 3.335 -0.563 -4.288 1.00 20.30 H new ATOM 0 HB2 PHE A 76 2.163 1.619 -4.127 1.00 71.51 H new ATOM 0 HB3 PHE A 76 1.309 1.261 -5.615 1.00 71.51 H new ATOM 0 HD1 PHE A 76 1.991 -0.472 -2.358 1.00 52.54 H new ATOM 0 HD2 PHE A 76 -0.850 0.548 -5.359 1.00 65.34 H new ATOM 0 HE1 PHE A 76 0.237 -1.596 -1.064 1.00 1.13 H new ATOM 0 HE2 PHE A 76 -2.618 -0.575 -4.066 1.00 15.34 H new ATOM 0 HZ PHE A 76 -2.072 -1.653 -1.911 1.00 23.20 H new ATOM 1252 N GLY A 77 2.021 -0.832 -7.311 1.00 25.04 N ATOM 1253 CA GLY A 77 1.563 -1.809 -8.296 1.00 33.15 C ATOM 1254 C GLY A 77 2.666 -2.771 -8.724 1.00 61.23 C ATOM 1255 O GLY A 77 2.409 -3.917 -9.064 1.00 13.34 O ATOM 0 H GLY A 77 1.972 0.138 -7.623 1.00 25.04 H new ATOM 0 HA2 GLY A 77 0.732 -2.378 -7.879 1.00 33.15 H new ATOM 0 HA3 GLY A 77 1.183 -1.285 -9.173 1.00 33.15 H new ATOM 1259 N GLN A 78 3.888 -2.288 -8.719 1.00 11.12 N ATOM 1260 CA GLN A 78 5.052 -3.072 -9.071 1.00 33.01 C ATOM 1261 C GLN A 78 5.401 -4.090 -7.969 1.00 1.45 C ATOM 1262 O GLN A 78 5.739 -5.238 -8.262 1.00 4.51 O ATOM 1263 CB GLN A 78 6.224 -2.121 -9.337 1.00 12.11 C ATOM 1264 CG GLN A 78 7.557 -2.777 -9.614 1.00 35.32 C ATOM 1265 CD GLN A 78 8.638 -1.747 -9.853 1.00 41.03 C ATOM 1266 OE1 GLN A 78 8.894 -1.338 -10.983 1.00 43.55 O ATOM 1267 NE2 GLN A 78 9.246 -1.288 -8.804 1.00 44.23 N ATOM 0 H GLN A 78 4.105 -1.324 -8.466 1.00 11.12 H new ATOM 0 HA GLN A 78 4.838 -3.647 -9.972 1.00 33.01 H new ATOM 0 HB2 GLN A 78 5.968 -1.489 -10.188 1.00 12.11 H new ATOM 0 HB3 GLN A 78 6.337 -1.464 -8.475 1.00 12.11 H new ATOM 0 HG2 GLN A 78 7.835 -3.410 -8.771 1.00 35.32 H new ATOM 0 HG3 GLN A 78 7.471 -3.426 -10.486 1.00 35.32 H new ATOM 0 HE21 GLN A 78 9.010 -1.649 -7.879 1.00 44.23 H new ATOM 0 HE22 GLN A 78 9.960 -0.566 -8.903 1.00 44.23 H new ATOM 1276 N PHE A 79 5.305 -3.668 -6.710 1.00 30.14 N ATOM 1277 CA PHE A 79 5.655 -4.533 -5.579 1.00 72.32 C ATOM 1278 C PHE A 79 4.588 -5.600 -5.359 1.00 33.15 C ATOM 1279 O PHE A 79 4.886 -6.711 -4.901 1.00 43.52 O ATOM 1280 CB PHE A 79 5.851 -3.702 -4.295 1.00 23.32 C ATOM 1281 CG PHE A 79 6.358 -4.490 -3.110 1.00 23.41 C ATOM 1282 CD1 PHE A 79 7.697 -4.844 -3.020 1.00 30.34 C ATOM 1283 CD2 PHE A 79 5.500 -4.872 -2.086 1.00 54.12 C ATOM 1284 CE1 PHE A 79 8.168 -5.564 -1.942 1.00 61.21 C ATOM 1285 CE2 PHE A 79 5.969 -5.593 -1.005 1.00 14.14 C ATOM 1286 CZ PHE A 79 7.303 -5.939 -0.932 1.00 52.14 C ATOM 0 H PHE A 79 4.989 -2.735 -6.445 1.00 30.14 H new ATOM 0 HA PHE A 79 6.595 -5.030 -5.817 1.00 72.32 H new ATOM 0 HB2 PHE A 79 6.551 -2.893 -4.504 1.00 23.32 H new ATOM 0 HB3 PHE A 79 4.901 -3.240 -4.028 1.00 23.32 H new ATOM 0 HD1 PHE A 79 8.379 -4.552 -3.805 1.00 30.34 H new ATOM 0 HD2 PHE A 79 4.455 -4.602 -2.136 1.00 54.12 H new ATOM 0 HE1 PHE A 79 9.212 -5.834 -1.887 1.00 61.21 H new ATOM 0 HE2 PHE A 79 5.291 -5.886 -0.217 1.00 14.14 H new ATOM 0 HZ PHE A 79 7.670 -6.502 -0.087 1.00 52.14 H new ATOM 1296 N LEU A 80 3.363 -5.258 -5.698 1.00 70.53 N ATOM 1297 CA LEU A 80 2.219 -6.132 -5.519 1.00 52.20 C ATOM 1298 C LEU A 80 2.333 -7.465 -6.266 1.00 25.34 C ATOM 1299 O LEU A 80 2.935 -7.545 -7.348 1.00 72.15 O ATOM 1300 CB LEU A 80 0.923 -5.399 -5.847 1.00 11.43 C ATOM 1301 CG LEU A 80 0.471 -4.392 -4.799 1.00 70.55 C ATOM 1302 CD1 LEU A 80 -0.634 -3.542 -5.341 1.00 13.34 C ATOM 1303 CD2 LEU A 80 0.009 -5.111 -3.546 1.00 14.53 C ATOM 0 H LEU A 80 3.129 -4.355 -6.111 1.00 70.53 H new ATOM 0 HA LEU A 80 2.202 -6.404 -4.464 1.00 52.20 H new ATOM 0 HB2 LEU A 80 1.047 -4.881 -6.798 1.00 11.43 H new ATOM 0 HB3 LEU A 80 0.132 -6.136 -5.986 1.00 11.43 H new ATOM 0 HG LEU A 80 1.315 -3.751 -4.545 1.00 70.55 H new ATOM 0 HD11 LEU A 80 -0.948 -2.826 -4.582 1.00 13.34 H new ATOM 0 HD12 LEU A 80 -0.282 -3.005 -6.222 1.00 13.34 H new ATOM 0 HD13 LEU A 80 -1.479 -4.174 -5.615 1.00 13.34 H new ATOM 0 HD21 LEU A 80 -0.312 -4.380 -2.804 1.00 14.53 H new ATOM 0 HD22 LEU A 80 -0.825 -5.769 -3.791 1.00 14.53 H new ATOM 0 HD23 LEU A 80 0.831 -5.702 -3.141 1.00 14.53 H new ATOM 1315 N PRO A 81 1.778 -8.530 -5.652 1.00 64.41 N ATOM 1316 CA PRO A 81 1.811 -9.927 -6.163 1.00 2.01 C ATOM 1317 C PRO A 81 1.013 -10.166 -7.465 1.00 50.23 C ATOM 1318 O PRO A 81 0.222 -11.103 -7.533 1.00 23.35 O ATOM 1319 CB PRO A 81 1.149 -10.713 -5.018 1.00 31.54 C ATOM 1320 CG PRO A 81 0.298 -9.716 -4.313 1.00 54.20 C ATOM 1321 CD PRO A 81 1.067 -8.456 -4.354 1.00 33.22 C ATOM 0 HA PRO A 81 2.830 -10.215 -6.421 1.00 2.01 H new ATOM 0 HB2 PRO A 81 0.553 -11.542 -5.400 1.00 31.54 H new ATOM 0 HB3 PRO A 81 1.895 -11.140 -4.348 1.00 31.54 H new ATOM 0 HG2 PRO A 81 -0.668 -9.604 -4.805 1.00 54.20 H new ATOM 0 HG3 PRO A 81 0.099 -10.023 -3.286 1.00 54.20 H new ATOM 0 HD2 PRO A 81 0.414 -7.585 -4.303 1.00 33.22 H new ATOM 0 HD3 PRO A 81 1.763 -8.382 -3.518 1.00 33.22 H new ATOM 1329 N GLU A 82 1.299 -9.391 -8.493 1.00 1.53 N ATOM 1330 CA GLU A 82 0.622 -9.480 -9.796 1.00 20.30 C ATOM 1331 C GLU A 82 0.639 -10.911 -10.340 1.00 13.41 C ATOM 1332 O GLU A 82 -0.394 -11.472 -10.683 1.00 54.52 O ATOM 1333 CB GLU A 82 1.333 -8.592 -10.804 1.00 40.01 C ATOM 1334 CG GLU A 82 1.504 -7.158 -10.378 1.00 54.34 C ATOM 1335 CD GLU A 82 2.254 -6.373 -11.406 1.00 62.15 C ATOM 1336 OE1 GLU A 82 3.486 -6.510 -11.492 1.00 63.31 O ATOM 1337 OE2 GLU A 82 1.628 -5.632 -12.174 1.00 31.21 O ATOM 0 H GLU A 82 2.017 -8.667 -8.458 1.00 1.53 H new ATOM 0 HA GLU A 82 -0.410 -9.161 -9.650 1.00 20.30 H new ATOM 0 HB2 GLU A 82 2.317 -9.015 -11.008 1.00 40.01 H new ATOM 0 HB3 GLU A 82 0.776 -8.613 -11.741 1.00 40.01 H new ATOM 0 HG2 GLU A 82 0.526 -6.706 -10.214 1.00 54.34 H new ATOM 0 HG3 GLU A 82 2.036 -7.119 -9.428 1.00 54.34 H new ATOM 1344 N ALA A 83 1.823 -11.487 -10.386 1.00 22.45 N ATOM 1345 CA ALA A 83 2.037 -12.821 -10.932 1.00 71.44 C ATOM 1346 C ALA A 83 1.526 -13.915 -10.013 1.00 4.33 C ATOM 1347 O ALA A 83 1.277 -15.025 -10.447 1.00 34.24 O ATOM 1348 CB ALA A 83 3.514 -13.035 -11.195 1.00 3.32 C ATOM 0 H ALA A 83 2.675 -11.042 -10.043 1.00 22.45 H new ATOM 0 HA ALA A 83 1.471 -12.882 -11.862 1.00 71.44 H new ATOM 0 HB1 ALA A 83 3.670 -14.034 -11.603 1.00 3.32 H new ATOM 0 HB2 ALA A 83 3.868 -12.292 -11.909 1.00 3.32 H new ATOM 0 HB3 ALA A 83 4.068 -12.934 -10.262 1.00 3.32 H new ATOM 1354 N LYS A 84 1.400 -13.612 -8.745 1.00 23.11 N ATOM 1355 CA LYS A 84 0.999 -14.609 -7.774 1.00 42.22 C ATOM 1356 C LYS A 84 -0.521 -14.614 -7.599 1.00 35.43 C ATOM 1357 O LYS A 84 -1.129 -15.650 -7.314 1.00 31.51 O ATOM 1358 CB LYS A 84 1.688 -14.308 -6.451 1.00 45.11 C ATOM 1359 CG LYS A 84 3.191 -14.083 -6.582 1.00 20.13 C ATOM 1360 CD LYS A 84 3.939 -15.328 -7.047 1.00 43.21 C ATOM 1361 CE LYS A 84 5.432 -15.049 -7.189 1.00 1.12 C ATOM 1362 NZ LYS A 84 6.198 -16.232 -7.647 1.00 33.14 N ATOM 0 H LYS A 84 1.569 -12.684 -8.357 1.00 23.11 H new ATOM 0 HA LYS A 84 1.294 -15.598 -8.125 1.00 42.22 H new ATOM 0 HB2 LYS A 84 1.234 -13.422 -6.008 1.00 45.11 H new ATOM 0 HB3 LYS A 84 1.512 -15.135 -5.763 1.00 45.11 H new ATOM 0 HG2 LYS A 84 3.372 -13.272 -7.287 1.00 20.13 H new ATOM 0 HG3 LYS A 84 3.591 -13.763 -5.620 1.00 20.13 H new ATOM 0 HD2 LYS A 84 3.783 -16.138 -6.334 1.00 43.21 H new ATOM 0 HD3 LYS A 84 3.536 -15.663 -8.003 1.00 43.21 H new ATOM 0 HE2 LYS A 84 5.578 -14.232 -7.895 1.00 1.12 H new ATOM 0 HE3 LYS A 84 5.827 -14.716 -6.229 1.00 1.12 H new ATOM 0 HZ1 LYS A 84 7.205 -15.984 -7.726 1.00 33.14 H new ATOM 0 HZ2 LYS A 84 6.084 -17.006 -6.962 1.00 33.14 H new ATOM 0 HZ3 LYS A 84 5.843 -16.537 -8.576 1.00 33.14 H new ATOM 1376 N ARG A 85 -1.118 -13.464 -7.774 1.00 42.44 N ATOM 1377 CA ARG A 85 -2.550 -13.315 -7.641 1.00 2.33 C ATOM 1378 C ARG A 85 -3.210 -13.346 -9.008 1.00 52.43 C ATOM 1379 O ARG A 85 -2.539 -13.554 -10.027 1.00 32.31 O ATOM 1380 CB ARG A 85 -2.899 -12.010 -6.915 1.00 13.40 C ATOM 1381 CG ARG A 85 -4.385 -11.824 -6.710 1.00 23.22 C ATOM 1382 CD ARG A 85 -4.718 -10.563 -5.944 1.00 21.42 C ATOM 1383 NE ARG A 85 -6.167 -10.452 -5.741 1.00 52.44 N ATOM 1384 CZ ARG A 85 -6.794 -9.457 -5.100 1.00 33.43 C ATOM 1385 NH1 ARG A 85 -6.119 -8.420 -4.632 1.00 30.20 N ATOM 1386 NH2 ARG A 85 -8.103 -9.489 -4.963 1.00 74.54 N ATOM 0 H ARG A 85 -0.628 -12.602 -8.013 1.00 42.44 H new ATOM 0 HA ARG A 85 -2.926 -14.148 -7.047 1.00 2.33 H new ATOM 0 HB2 ARG A 85 -2.400 -11.996 -5.946 1.00 13.40 H new ATOM 0 HB3 ARG A 85 -2.509 -11.168 -7.487 1.00 13.40 H new ATOM 0 HG2 ARG A 85 -4.880 -11.795 -7.681 1.00 23.22 H new ATOM 0 HG3 ARG A 85 -4.784 -12.685 -6.174 1.00 23.22 H new ATOM 0 HD2 ARG A 85 -4.209 -10.571 -4.980 1.00 21.42 H new ATOM 0 HD3 ARG A 85 -4.354 -9.692 -6.489 1.00 21.42 H new ATOM 0 HE ARG A 85 -6.748 -11.199 -6.122 1.00 52.44 H new ATOM 0 HH11 ARG A 85 -5.108 -8.371 -4.757 1.00 30.20 H new ATOM 0 HH12 ARG A 85 -6.610 -7.669 -4.146 1.00 30.20 H new ATOM 0 HH21 ARG A 85 -8.637 -10.270 -5.344 1.00 74.54 H new ATOM 0 HH22 ARG A 85 -8.583 -8.733 -4.475 1.00 74.54 H new TER 1400 ARG A 85