USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=19 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 Set 1.1: A 36 HIS : no HE2:sc= 1.02 K(o=2.3,f=-2.1) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -144:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 38 TYR OH : rot 166:sc= 0.969 USER MOD Set 2.2: A 84 LYS NZ :NH3+ -140:sc= 2.24 (180deg=1.05) USER MOD Single : A 1 GLU N :NH3+ 174:sc= 0.0771 (180deg=0.00232) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0475 X(o=-0.047,f=-0.1) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 12 SER OG : rot 68:sc= 1.27 USER MOD Single : A 13 TYR OH : rot -139:sc= 0.0991 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= 1.18 (180deg=1.1) 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 30 SER OG : rot 69:sc= 1.1 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.265 K(o=-0.27,f=-1.1) USER MOD Single : A 42 GLN : amide:sc= -0.0309 X(o=-0.031,f=-0.39) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -135:sc= -9.19! (180deg=-14.3!) USER MOD Single : A 54 SER OG : rot -20:sc= 1.11 USER MOD Single : A 60 THR OG1 : rot 66:sc= 0.495 USER MOD Single : A 64 ASN : amide:sc= 0.383 X(o=0.38,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.45) USER MOD Single : A 74 SER OG : rot 89:sc= 1.24 USER MOD Single : A 78 GLN : amide:sc= -0.0068 K(o=-0.0068,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.620 -14.610 2.357 1.00 31.20 N ATOM 2 CA GLU A 1 18.017 -14.618 2.776 1.00 65.25 C ATOM 3 C GLU A 1 18.244 -13.618 3.925 1.00 61.31 C ATOM 4 O GLU A 1 17.276 -13.072 4.484 1.00 53.24 O ATOM 5 CB GLU A 1 18.964 -14.319 1.589 1.00 41.11 C ATOM 6 CG GLU A 1 18.855 -12.918 0.975 1.00 41.42 C ATOM 7 CD GLU A 1 17.571 -12.665 0.223 1.00 55.43 C ATOM 8 OE1 GLU A 1 16.574 -12.208 0.828 1.00 10.03 O ATOM 9 OE2 GLU A 1 17.540 -12.908 -0.996 1.00 55.23 O ATOM 0 H1 GLU A 1 16.506 -15.213 1.517 1.00 31.20 H new ATOM 0 H2 GLU A 1 16.024 -14.974 3.128 1.00 31.20 H new ATOM 0 H3 GLU A 1 16.332 -13.638 2.127 1.00 31.20 H new ATOM 0 HA GLU A 1 18.251 -15.619 3.140 1.00 65.25 H new ATOM 0 HB2 GLU A 1 19.991 -14.468 1.923 1.00 41.11 H new ATOM 0 HB3 GLU A 1 18.774 -15.053 0.806 1.00 41.11 H new ATOM 0 HG2 GLU A 1 18.948 -12.178 1.770 1.00 41.42 H new ATOM 0 HG3 GLU A 1 19.695 -12.765 0.297 1.00 41.42 H new ATOM 16 N SER A 2 19.491 -13.396 4.283 1.00 50.33 N ATOM 17 CA SER A 2 19.824 -12.486 5.354 1.00 41.44 C ATOM 18 C SER A 2 19.804 -11.038 4.837 1.00 14.12 C ATOM 19 O SER A 2 19.416 -10.112 5.548 1.00 61.13 O ATOM 20 CB SER A 2 21.208 -12.839 5.893 1.00 11.32 C ATOM 21 OG SER A 2 21.315 -14.248 6.128 1.00 22.25 O ATOM 0 H SER A 2 20.297 -13.839 3.842 1.00 50.33 H new ATOM 0 HA SER A 2 19.091 -12.575 6.156 1.00 41.44 H new ATOM 0 HB2 SER A 2 21.972 -12.525 5.182 1.00 11.32 H new ATOM 0 HB3 SER A 2 21.392 -12.296 6.820 1.00 11.32 H new ATOM 0 HG SER A 2 22.209 -14.455 6.471 1.00 22.25 H new ATOM 27 N ASP A 3 20.194 -10.866 3.583 1.00 64.31 N ATOM 28 CA ASP A 3 20.234 -9.543 2.972 1.00 3.24 C ATOM 29 C ASP A 3 18.893 -9.211 2.396 1.00 52.34 C ATOM 30 O ASP A 3 18.491 -9.758 1.369 1.00 25.24 O ATOM 31 CB ASP A 3 21.277 -9.443 1.854 1.00 3.44 C ATOM 32 CG ASP A 3 22.690 -9.672 2.308 1.00 61.35 C ATOM 33 OD1 ASP A 3 23.296 -8.754 2.893 1.00 54.13 O ATOM 34 OD2 ASP A 3 23.229 -10.779 2.082 1.00 21.41 O ATOM 0 H ASP A 3 20.487 -11.625 2.968 1.00 64.31 H new ATOM 0 HA ASP A 3 20.509 -8.841 3.759 1.00 3.24 H new ATOM 0 HB2 ASP A 3 21.034 -10.170 1.079 1.00 3.44 H new ATOM 0 HB3 ASP A 3 21.210 -8.456 1.397 1.00 3.44 H new ATOM 39 N SER A 4 18.195 -8.341 3.040 1.00 71.52 N ATOM 40 CA SER A 4 16.895 -7.958 2.588 1.00 32.12 C ATOM 41 C SER A 4 17.004 -6.866 1.518 1.00 12.04 C ATOM 42 O SER A 4 17.068 -5.680 1.822 1.00 62.54 O ATOM 43 CB SER A 4 16.063 -7.510 3.776 1.00 30.24 C ATOM 44 OG SER A 4 16.128 -8.488 4.807 1.00 51.43 O ATOM 0 H SER A 4 18.504 -7.874 3.892 1.00 71.52 H new ATOM 0 HA SER A 4 16.396 -8.810 2.126 1.00 32.12 H new ATOM 0 HB2 SER A 4 16.429 -6.553 4.147 1.00 30.24 H new ATOM 0 HB3 SER A 4 15.028 -7.359 3.470 1.00 30.24 H new ATOM 0 HG SER A 4 15.591 -8.193 5.572 1.00 51.43 H new ATOM 50 N VAL A 5 17.112 -7.291 0.282 1.00 5.55 N ATOM 51 CA VAL A 5 17.239 -6.402 -0.838 1.00 4.31 C ATOM 52 C VAL A 5 15.870 -5.889 -1.267 1.00 35.21 C ATOM 53 O VAL A 5 15.641 -4.679 -1.325 1.00 12.51 O ATOM 54 CB VAL A 5 17.921 -7.119 -2.019 1.00 33.32 C ATOM 55 CG1 VAL A 5 18.055 -6.190 -3.193 1.00 55.10 C ATOM 56 CG2 VAL A 5 19.279 -7.662 -1.607 1.00 23.31 C ATOM 0 H VAL A 5 17.114 -8.279 0.027 1.00 5.55 H new ATOM 0 HA VAL A 5 17.855 -5.555 -0.535 1.00 4.31 H new ATOM 0 HB VAL A 5 17.295 -7.960 -2.316 1.00 33.32 H new ATOM 0 HG11 VAL A 5 18.539 -6.713 -4.018 1.00 55.10 H new ATOM 0 HG12 VAL A 5 17.066 -5.855 -3.506 1.00 55.10 H new ATOM 0 HG13 VAL A 5 18.657 -5.327 -2.908 1.00 55.10 H new ATOM 0 HG21 VAL A 5 19.743 -8.164 -2.456 1.00 23.31 H new ATOM 0 HG22 VAL A 5 19.916 -6.840 -1.280 1.00 23.31 H new ATOM 0 HG23 VAL A 5 19.154 -8.372 -0.789 1.00 23.31 H new ATOM 66 N GLU A 6 14.950 -6.814 -1.504 1.00 3.32 N ATOM 67 CA GLU A 6 13.596 -6.481 -1.966 1.00 12.02 C ATOM 68 C GLU A 6 12.896 -5.621 -0.930 1.00 52.15 C ATOM 69 O GLU A 6 12.215 -4.647 -1.247 1.00 60.13 O ATOM 70 CB GLU A 6 12.792 -7.758 -2.175 1.00 4.23 C ATOM 71 CG GLU A 6 13.422 -8.726 -3.149 1.00 24.52 C ATOM 72 CD GLU A 6 13.501 -8.168 -4.536 1.00 2.53 C ATOM 73 OE1 GLU A 6 12.503 -8.247 -5.269 1.00 31.12 O ATOM 74 OE2 GLU A 6 14.563 -7.663 -4.927 1.00 25.35 O ATOM 0 H GLU A 6 15.113 -7.814 -1.384 1.00 3.32 H new ATOM 0 HA GLU A 6 13.670 -5.936 -2.907 1.00 12.02 H new ATOM 0 HB2 GLU A 6 12.664 -8.256 -1.214 1.00 4.23 H new ATOM 0 HB3 GLU A 6 11.797 -7.494 -2.532 1.00 4.23 H new ATOM 0 HG2 GLU A 6 14.424 -8.982 -2.806 1.00 24.52 H new ATOM 0 HG3 GLU A 6 12.844 -9.650 -3.164 1.00 24.52 H new ATOM 81 N PHE A 7 13.115 -5.979 0.305 1.00 63.52 N ATOM 82 CA PHE A 7 12.556 -5.301 1.438 1.00 15.01 C ATOM 83 C PHE A 7 13.142 -3.918 1.553 1.00 65.55 C ATOM 84 O PHE A 7 12.441 -3.011 1.862 1.00 21.04 O ATOM 85 CB PHE A 7 12.838 -6.113 2.681 1.00 1.35 C ATOM 86 CG PHE A 7 12.020 -5.757 3.871 1.00 64.50 C ATOM 87 CD1 PHE A 7 10.662 -6.000 3.874 1.00 51.24 C ATOM 88 CD2 PHE A 7 12.603 -5.195 4.988 1.00 11.54 C ATOM 89 CE1 PHE A 7 9.892 -5.688 4.971 1.00 45.22 C ATOM 90 CE2 PHE A 7 11.842 -4.883 6.091 1.00 64.54 C ATOM 91 CZ PHE A 7 10.481 -5.129 6.082 1.00 11.23 C ATOM 0 H PHE A 7 13.704 -6.773 0.556 1.00 63.52 H new ATOM 0 HA PHE A 7 11.478 -5.198 1.317 1.00 15.01 H new ATOM 0 HB2 PHE A 7 12.677 -7.166 2.451 1.00 1.35 H new ATOM 0 HB3 PHE A 7 13.891 -6.000 2.938 1.00 1.35 H new ATOM 0 HD1 PHE A 7 10.197 -6.441 3.004 1.00 51.24 H new ATOM 0 HD2 PHE A 7 13.665 -4.998 4.997 1.00 11.54 H new ATOM 0 HE1 PHE A 7 8.829 -5.881 4.960 1.00 45.22 H new ATOM 0 HE2 PHE A 7 12.307 -4.447 6.963 1.00 64.54 H new ATOM 0 HZ PHE A 7 9.881 -4.883 6.946 1.00 11.23 H new ATOM 101 N ASN A 8 14.419 -3.745 1.228 1.00 22.31 N ATOM 102 CA ASN A 8 15.044 -2.496 1.315 1.00 34.15 C ATOM 103 C ASN A 8 14.520 -1.581 0.204 1.00 42.54 C ATOM 104 O ASN A 8 14.398 -0.381 0.395 1.00 45.31 O ATOM 105 CB ASN A 8 16.499 -2.763 1.193 1.00 14.43 C ATOM 106 CG ASN A 8 17.328 -1.586 1.026 1.00 35.32 C ATOM 107 OD1 ASN A 8 17.081 -0.506 1.568 1.00 43.34 O ATOM 108 ND2 ASN A 8 18.299 -1.766 0.253 1.00 61.12 N ATOM 0 H ASN A 8 15.026 -4.495 0.898 1.00 22.31 H new ATOM 0 HA ASN A 8 14.837 -1.983 2.254 1.00 34.15 H new ATOM 0 HB2 ASN A 8 16.830 -3.298 2.083 1.00 14.43 H new ATOM 0 HB3 ASN A 8 16.661 -3.426 0.343 1.00 14.43 H new ATOM 0 HD21 ASN A 8 18.934 -0.996 0.044 1.00 61.12 H new ATOM 0 HD22 ASN A 8 18.454 -2.683 -0.167 1.00 61.12 H new ATOM 115 N ASN A 9 14.177 -2.164 -0.946 1.00 45.33 N ATOM 116 CA ASN A 9 13.519 -1.398 -2.025 1.00 1.21 C ATOM 117 C ASN A 9 12.208 -0.872 -1.506 1.00 31.14 C ATOM 118 O ASN A 9 11.864 0.301 -1.693 1.00 34.54 O ATOM 119 CB ASN A 9 13.248 -2.256 -3.275 1.00 11.34 C ATOM 120 CG ASN A 9 14.496 -2.679 -3.997 1.00 54.54 C ATOM 121 OD1 ASN A 9 15.513 -1.976 -3.969 1.00 72.41 O ATOM 122 ND2 ASN A 9 14.433 -3.803 -4.673 1.00 42.53 N ATOM 0 H ASN A 9 14.337 -3.148 -1.160 1.00 45.33 H new ATOM 0 HA ASN A 9 14.189 -0.590 -2.318 1.00 1.21 H new ATOM 0 HB2 ASN A 9 12.689 -3.145 -2.981 1.00 11.34 H new ATOM 0 HB3 ASN A 9 12.614 -1.694 -3.961 1.00 11.34 H new ATOM 0 HD21 ASN A 9 15.243 -4.126 -5.202 1.00 42.53 H new ATOM 0 HD22 ASN A 9 13.574 -4.353 -4.669 1.00 42.53 H new ATOM 129 N ALA A 10 11.499 -1.749 -0.812 1.00 64.13 N ATOM 130 CA ALA A 10 10.256 -1.419 -0.165 1.00 63.55 C ATOM 131 C ALA A 10 10.484 -0.309 0.855 1.00 44.43 C ATOM 132 O ALA A 10 9.787 0.693 0.841 1.00 31.44 O ATOM 133 CB ALA A 10 9.670 -2.662 0.509 1.00 31.31 C ATOM 0 H ALA A 10 11.782 -2.721 -0.686 1.00 64.13 H new ATOM 0 HA ALA A 10 9.544 -1.065 -0.911 1.00 63.55 H new ATOM 0 HB1 ALA A 10 8.730 -2.403 0.996 1.00 31.31 H new ATOM 0 HB2 ALA A 10 9.490 -3.432 -0.241 1.00 31.31 H new ATOM 0 HB3 ALA A 10 10.372 -3.038 1.253 1.00 31.31 H new ATOM 139 N ILE A 11 11.505 -0.478 1.701 1.00 61.11 N ATOM 140 CA ILE A 11 11.820 0.494 2.744 1.00 61.43 C ATOM 141 C ILE A 11 12.170 1.839 2.139 1.00 43.34 C ATOM 142 O ILE A 11 11.749 2.860 2.633 1.00 72.55 O ATOM 143 CB ILE A 11 12.987 0.073 3.679 1.00 71.15 C ATOM 144 CG1 ILE A 11 12.800 -1.339 4.246 1.00 22.41 C ATOM 145 CG2 ILE A 11 13.138 1.070 4.820 1.00 40.01 C ATOM 146 CD1 ILE A 11 11.385 -1.725 4.635 1.00 70.43 C ATOM 0 H ILE A 11 12.129 -1.285 1.680 1.00 61.11 H new ATOM 0 HA ILE A 11 10.915 0.552 3.348 1.00 61.43 H new ATOM 0 HB ILE A 11 13.893 0.067 3.073 1.00 71.15 H new ATOM 0 HG12 ILE A 11 13.159 -2.055 3.507 1.00 22.41 H new ATOM 0 HG13 ILE A 11 13.437 -1.442 5.125 1.00 22.41 H new ATOM 0 HG21 ILE A 11 13.960 0.761 5.466 1.00 40.01 H new ATOM 0 HG22 ILE A 11 13.348 2.059 4.413 1.00 40.01 H new ATOM 0 HG23 ILE A 11 12.215 1.104 5.398 1.00 40.01 H new ATOM 0 HD11 ILE A 11 11.379 -2.744 5.022 1.00 70.43 H new ATOM 0 HD12 ILE A 11 11.020 -1.043 5.403 1.00 70.43 H new ATOM 0 HD13 ILE A 11 10.738 -1.666 3.760 1.00 70.43 H new ATOM 158 N SER A 12 12.931 1.823 1.060 1.00 74.03 N ATOM 159 CA SER A 12 13.319 3.034 0.365 1.00 53.22 C ATOM 160 C SER A 12 12.081 3.799 -0.116 1.00 32.55 C ATOM 161 O SER A 12 12.003 5.024 0.041 1.00 63.03 O ATOM 162 CB SER A 12 14.256 2.698 -0.795 1.00 24.24 C ATOM 163 OG SER A 12 15.413 2.011 -0.320 1.00 71.33 O ATOM 0 H SER A 12 13.297 0.968 0.641 1.00 74.03 H new ATOM 0 HA SER A 12 13.858 3.682 1.056 1.00 53.22 H new ATOM 0 HB2 SER A 12 13.733 2.080 -1.525 1.00 24.24 H new ATOM 0 HB3 SER A 12 14.554 3.613 -1.307 1.00 24.24 H new ATOM 0 HG SER A 12 15.156 1.123 0.005 1.00 71.33 H new ATOM 169 N TYR A 13 11.107 3.073 -0.660 1.00 4.35 N ATOM 170 CA TYR A 13 9.848 3.672 -1.059 1.00 73.33 C ATOM 171 C TYR A 13 9.051 4.147 0.147 1.00 42.55 C ATOM 172 O TYR A 13 8.490 5.229 0.126 1.00 21.34 O ATOM 173 CB TYR A 13 9.018 2.737 -1.953 1.00 34.42 C ATOM 174 CG TYR A 13 9.284 2.925 -3.435 1.00 31.13 C ATOM 175 CD1 TYR A 13 10.490 2.554 -4.014 1.00 52.53 C ATOM 176 CD2 TYR A 13 8.316 3.500 -4.249 1.00 11.23 C ATOM 177 CE1 TYR A 13 10.725 2.758 -5.363 1.00 32.12 C ATOM 178 CE2 TYR A 13 8.532 3.702 -5.595 1.00 71.42 C ATOM 179 CZ TYR A 13 9.745 3.333 -6.150 1.00 40.20 C ATOM 180 OH TYR A 13 9.984 3.548 -7.495 1.00 60.42 O ATOM 0 H TYR A 13 11.171 2.070 -0.832 1.00 4.35 H new ATOM 0 HA TYR A 13 10.090 4.549 -1.660 1.00 73.33 H new ATOM 0 HB2 TYR A 13 9.232 1.703 -1.682 1.00 34.42 H new ATOM 0 HB3 TYR A 13 7.959 2.905 -1.758 1.00 34.42 H new ATOM 0 HD1 TYR A 13 11.256 2.100 -3.403 1.00 52.53 H new ATOM 0 HD2 TYR A 13 7.372 3.796 -3.817 1.00 11.23 H new ATOM 0 HE1 TYR A 13 11.670 2.469 -5.799 1.00 32.12 H new ATOM 0 HE2 TYR A 13 7.762 4.144 -6.211 1.00 71.42 H new ATOM 0 HH TYR A 13 9.622 4.421 -7.756 1.00 60.42 H new ATOM 190 N VAL A 14 9.047 3.357 1.208 1.00 54.13 N ATOM 191 CA VAL A 14 8.352 3.718 2.443 1.00 33.00 C ATOM 192 C VAL A 14 8.970 4.966 3.089 1.00 72.53 C ATOM 193 O VAL A 14 8.260 5.883 3.493 1.00 73.12 O ATOM 194 CB VAL A 14 8.313 2.547 3.464 1.00 21.22 C ATOM 195 CG1 VAL A 14 7.707 3.008 4.773 1.00 53.34 C ATOM 196 CG2 VAL A 14 7.506 1.380 2.909 1.00 14.45 C ATOM 0 H VAL A 14 9.520 2.454 1.243 1.00 54.13 H new ATOM 0 HA VAL A 14 7.323 3.944 2.162 1.00 33.00 H new ATOM 0 HB VAL A 14 9.336 2.217 3.641 1.00 21.22 H new ATOM 0 HG11 VAL A 14 7.687 2.176 5.477 1.00 53.34 H new ATOM 0 HG12 VAL A 14 8.307 3.819 5.186 1.00 53.34 H new ATOM 0 HG13 VAL A 14 6.690 3.361 4.599 1.00 53.34 H new ATOM 0 HG21 VAL A 14 7.490 0.570 3.638 1.00 14.45 H new ATOM 0 HG22 VAL A 14 6.486 1.707 2.707 1.00 14.45 H new ATOM 0 HG23 VAL A 14 7.964 1.028 1.985 1.00 14.45 H new ATOM 206 N ASN A 15 10.283 4.988 3.184 1.00 74.32 N ATOM 207 CA ASN A 15 11.020 6.118 3.698 1.00 32.52 C ATOM 208 C ASN A 15 10.736 7.349 2.845 1.00 42.43 C ATOM 209 O ASN A 15 10.614 8.465 3.357 1.00 23.42 O ATOM 210 CB ASN A 15 12.498 5.802 3.638 1.00 63.51 C ATOM 211 CG ASN A 15 13.323 6.783 4.399 1.00 64.15 C ATOM 212 OD1 ASN A 15 13.763 7.792 3.865 1.00 30.31 O ATOM 213 ND2 ASN A 15 13.554 6.492 5.635 1.00 34.20 N ATOM 0 H ASN A 15 10.876 4.207 2.901 1.00 74.32 H new ATOM 0 HA ASN A 15 10.718 6.316 4.726 1.00 32.52 H new ATOM 0 HB2 ASN A 15 12.669 4.802 4.037 1.00 63.51 H new ATOM 0 HB3 ASN A 15 12.822 5.790 2.597 1.00 63.51 H new ATOM 0 HD21 ASN A 15 14.124 7.115 6.208 1.00 34.20 H new ATOM 0 HD22 ASN A 15 13.167 5.639 6.039 1.00 34.20 H new ATOM 220 N LYS A 16 10.617 7.126 1.544 1.00 72.13 N ATOM 221 CA LYS A 16 10.293 8.164 0.610 1.00 3.30 C ATOM 222 C LYS A 16 8.905 8.707 0.920 1.00 13.14 C ATOM 223 O LYS A 16 8.700 9.907 0.910 1.00 75.53 O ATOM 224 CB LYS A 16 10.365 7.609 -0.799 1.00 52.55 C ATOM 225 CG LYS A 16 10.137 8.602 -1.885 1.00 51.40 C ATOM 226 CD LYS A 16 10.342 7.943 -3.220 1.00 71.34 C ATOM 227 CE LYS A 16 10.190 8.941 -4.338 1.00 43.41 C ATOM 228 NZ LYS A 16 10.432 8.346 -5.660 1.00 74.41 N ATOM 0 H LYS A 16 10.746 6.209 1.116 1.00 72.13 H new ATOM 0 HA LYS A 16 11.006 8.984 0.693 1.00 3.30 H new ATOM 0 HB2 LYS A 16 11.345 7.155 -0.944 1.00 52.55 H new ATOM 0 HB3 LYS A 16 9.627 6.812 -0.896 1.00 52.55 H new ATOM 0 HG2 LYS A 16 9.126 9.004 -1.818 1.00 51.40 H new ATOM 0 HG3 LYS A 16 10.822 9.442 -1.773 1.00 51.40 H new ATOM 0 HD2 LYS A 16 11.334 7.493 -3.260 1.00 71.34 H new ATOM 0 HD3 LYS A 16 9.621 7.136 -3.347 1.00 71.34 H new ATOM 0 HE2 LYS A 16 9.185 9.362 -4.311 1.00 43.41 H new ATOM 0 HE3 LYS A 16 10.885 9.766 -4.182 1.00 43.41 H new ATOM 0 HZ1 LYS A 16 10.651 9.098 -6.344 1.00 74.41 H new ATOM 0 HZ2 LYS A 16 11.234 7.686 -5.602 1.00 74.41 H new ATOM 0 HZ3 LYS A 16 9.583 7.832 -5.970 1.00 74.41 H new ATOM 242 N ILE A 17 7.971 7.807 1.226 1.00 40.53 N ATOM 243 CA ILE A 17 6.632 8.170 1.641 1.00 24.12 C ATOM 244 C ILE A 17 6.707 9.024 2.905 1.00 41.23 C ATOM 245 O ILE A 17 6.101 10.092 2.970 1.00 40.25 O ATOM 246 CB ILE A 17 5.782 6.907 1.934 1.00 31.03 C ATOM 247 CG1 ILE A 17 5.587 6.061 0.670 1.00 25.25 C ATOM 248 CG2 ILE A 17 4.451 7.294 2.544 1.00 62.11 C ATOM 249 CD1 ILE A 17 4.890 4.736 0.916 1.00 73.12 C ATOM 0 H ILE A 17 8.131 6.800 1.190 1.00 40.53 H new ATOM 0 HA ILE A 17 6.161 8.730 0.833 1.00 24.12 H new ATOM 0 HB ILE A 17 6.323 6.294 2.655 1.00 31.03 H new ATOM 0 HG12 ILE A 17 5.008 6.635 -0.054 1.00 25.25 H new ATOM 0 HG13 ILE A 17 6.561 5.869 0.220 1.00 25.25 H new ATOM 0 HG21 ILE A 17 3.867 6.395 2.743 1.00 62.11 H new ATOM 0 HG22 ILE A 17 4.621 7.831 3.477 1.00 62.11 H new ATOM 0 HG23 ILE A 17 3.906 7.935 1.851 1.00 62.11 H new ATOM 0 HD11 ILE A 17 4.790 4.197 -0.026 1.00 73.12 H new ATOM 0 HD12 ILE A 17 5.478 4.140 1.614 1.00 73.12 H new ATOM 0 HD13 ILE A 17 3.901 4.918 1.337 1.00 73.12 H new ATOM 261 N LYS A 18 7.491 8.553 3.882 1.00 43.15 N ATOM 262 CA LYS A 18 7.693 9.267 5.146 1.00 71.34 C ATOM 263 C LYS A 18 8.130 10.699 4.874 1.00 62.23 C ATOM 264 O LYS A 18 7.561 11.622 5.377 1.00 34.30 O ATOM 265 CB LYS A 18 8.776 8.592 6.016 1.00 51.10 C ATOM 266 CG LYS A 18 8.442 7.249 6.541 1.00 53.42 C ATOM 267 CD LYS A 18 9.537 6.754 7.451 1.00 74.13 C ATOM 268 CE LYS A 18 9.271 5.340 7.851 1.00 43.42 C ATOM 269 NZ LYS A 18 10.282 4.820 8.786 1.00 71.41 N ATOM 0 H LYS A 18 8.000 7.671 3.819 1.00 43.15 H new ATOM 0 HA LYS A 18 6.743 9.248 5.680 1.00 71.34 H new ATOM 0 HB2 LYS A 18 9.690 8.513 5.427 1.00 51.10 H new ATOM 0 HB3 LYS A 18 8.996 9.246 6.860 1.00 51.10 H new ATOM 0 HG2 LYS A 18 7.498 7.288 7.085 1.00 53.42 H new ATOM 0 HG3 LYS A 18 8.304 6.552 5.714 1.00 53.42 H new ATOM 0 HD2 LYS A 18 10.500 6.822 6.945 1.00 74.13 H new ATOM 0 HD3 LYS A 18 9.598 7.386 8.337 1.00 74.13 H new ATOM 0 HE2 LYS A 18 8.286 5.276 8.313 1.00 43.42 H new ATOM 0 HE3 LYS A 18 9.247 4.712 6.960 1.00 43.42 H new ATOM 0 HZ1 LYS A 18 10.053 3.836 9.033 1.00 71.41 H new ATOM 0 HZ2 LYS A 18 11.220 4.855 8.338 1.00 71.41 H new ATOM 0 HZ3 LYS A 18 10.289 5.401 9.649 1.00 71.41 H new ATOM 283 N THR A 19 9.125 10.831 4.025 1.00 33.03 N ATOM 284 CA THR A 19 9.716 12.071 3.640 1.00 53.40 C ATOM 285 C THR A 19 8.761 12.958 2.788 1.00 71.21 C ATOM 286 O THR A 19 8.697 14.169 2.972 1.00 32.35 O ATOM 287 CB THR A 19 11.003 11.708 2.872 1.00 74.13 C ATOM 288 OG1 THR A 19 12.053 11.300 3.769 1.00 45.35 O ATOM 289 CG2 THR A 19 11.451 12.771 1.918 1.00 14.33 C ATOM 0 H THR A 19 9.558 10.029 3.567 1.00 33.03 H new ATOM 0 HA THR A 19 9.935 12.677 4.519 1.00 53.40 H new ATOM 0 HB THR A 19 10.752 10.851 2.246 1.00 74.13 H new ATOM 0 HG1 THR A 19 12.855 11.075 3.253 1.00 45.35 H new ATOM 0 HG21 THR A 19 12.361 12.447 1.414 1.00 14.33 H new ATOM 0 HG22 THR A 19 10.670 12.949 1.179 1.00 14.33 H new ATOM 0 HG23 THR A 19 11.648 13.692 2.466 1.00 14.33 H new ATOM 297 N ARG A 20 8.028 12.358 1.902 1.00 0.11 N ATOM 298 CA ARG A 20 7.138 13.088 1.015 1.00 50.54 C ATOM 299 C ARG A 20 5.895 13.588 1.707 1.00 60.12 C ATOM 300 O ARG A 20 5.238 14.516 1.233 1.00 11.04 O ATOM 301 CB ARG A 20 6.801 12.233 -0.184 1.00 43.20 C ATOM 302 CG ARG A 20 7.891 12.243 -1.235 1.00 2.24 C ATOM 303 CD ARG A 20 7.896 13.559 -1.996 1.00 52.13 C ATOM 304 NE ARG A 20 8.910 13.573 -3.041 1.00 43.12 N ATOM 305 CZ ARG A 20 8.815 14.218 -4.205 1.00 62.21 C ATOM 306 NH1 ARG A 20 7.755 14.973 -4.476 1.00 33.41 N ATOM 307 NH2 ARG A 20 9.798 14.117 -5.085 1.00 35.32 N ATOM 0 H ARG A 20 8.021 11.348 1.763 1.00 0.11 H new ATOM 0 HA ARG A 20 7.665 13.981 0.681 1.00 50.54 H new ATOM 0 HB2 ARG A 20 6.627 11.208 0.143 1.00 43.20 H new ATOM 0 HB3 ARG A 20 5.871 12.588 -0.628 1.00 43.20 H new ATOM 0 HG2 ARG A 20 8.860 12.088 -0.761 1.00 2.24 H new ATOM 0 HG3 ARG A 20 7.740 11.417 -1.930 1.00 2.24 H new ATOM 0 HD2 ARG A 20 6.914 13.727 -2.439 1.00 52.13 H new ATOM 0 HD3 ARG A 20 8.077 14.380 -1.302 1.00 52.13 H new ATOM 0 HE ARG A 20 9.765 13.045 -2.868 1.00 43.12 H new ATOM 0 HH11 ARG A 20 7.005 15.063 -3.791 1.00 33.41 H new ATOM 0 HH12 ARG A 20 7.692 15.462 -5.369 1.00 33.41 H new ATOM 0 HH21 ARG A 20 10.618 13.550 -4.870 1.00 35.32 H new ATOM 0 HH22 ARG A 20 9.735 14.606 -5.978 1.00 35.32 H new ATOM 321 N PHE A 21 5.577 12.986 2.806 1.00 25.51 N ATOM 322 CA PHE A 21 4.428 13.355 3.587 1.00 1.12 C ATOM 323 C PHE A 21 4.900 13.600 4.996 1.00 51.42 C ATOM 324 O PHE A 21 4.198 13.380 5.957 1.00 11.10 O ATOM 325 CB PHE A 21 3.385 12.230 3.522 1.00 44.04 C ATOM 326 CG PHE A 21 2.932 11.943 2.111 1.00 22.31 C ATOM 327 CD1 PHE A 21 3.592 11.006 1.331 1.00 1.25 C ATOM 328 CD2 PHE A 21 1.867 12.624 1.562 1.00 64.35 C ATOM 329 CE1 PHE A 21 3.207 10.758 0.045 1.00 21.42 C ATOM 330 CE2 PHE A 21 1.467 12.377 0.267 1.00 20.13 C ATOM 331 CZ PHE A 21 2.141 11.443 -0.495 1.00 44.24 C ATOM 0 H PHE A 21 6.112 12.211 3.198 1.00 25.51 H new ATOM 0 HA PHE A 21 3.954 14.259 3.204 1.00 1.12 H new ATOM 0 HB2 PHE A 21 3.806 11.323 3.957 1.00 44.04 H new ATOM 0 HB3 PHE A 21 2.522 12.504 4.129 1.00 44.04 H new ATOM 0 HD1 PHE A 21 4.426 10.462 1.749 1.00 1.25 H new ATOM 0 HD2 PHE A 21 1.341 13.359 2.153 1.00 64.35 H new ATOM 0 HE1 PHE A 21 3.737 10.027 -0.547 1.00 21.42 H new ATOM 0 HE2 PHE A 21 0.628 12.913 -0.152 1.00 20.13 H new ATOM 0 HZ PHE A 21 1.833 11.250 -1.512 1.00 44.24 H new ATOM 341 N LEU A 22 6.099 14.136 5.081 1.00 41.44 N ATOM 342 CA LEU A 22 6.791 14.364 6.324 1.00 33.32 C ATOM 343 C LEU A 22 6.104 15.423 7.190 1.00 44.22 C ATOM 344 O LEU A 22 6.308 15.484 8.406 1.00 44.50 O ATOM 345 CB LEU A 22 8.246 14.732 6.021 1.00 20.41 C ATOM 346 CG LEU A 22 9.313 13.859 6.628 1.00 13.21 C ATOM 347 CD1 LEU A 22 10.694 14.369 6.274 1.00 44.42 C ATOM 348 CD2 LEU A 22 9.142 13.803 8.087 1.00 40.25 C ATOM 0 H LEU A 22 6.631 14.432 4.262 1.00 41.44 H new ATOM 0 HA LEU A 22 6.766 13.446 6.911 1.00 33.32 H new ATOM 0 HB2 LEU A 22 8.379 14.726 4.939 1.00 20.41 H new ATOM 0 HB3 LEU A 22 8.414 15.755 6.357 1.00 20.41 H new ATOM 0 HG LEU A 22 9.213 12.853 6.221 1.00 13.21 H new ATOM 0 HD11 LEU A 22 11.447 13.722 6.724 1.00 44.42 H new ATOM 0 HD12 LEU A 22 10.815 14.369 5.191 1.00 44.42 H new ATOM 0 HD13 LEU A 22 10.815 15.384 6.652 1.00 44.42 H new ATOM 0 HD21 LEU A 22 9.917 13.170 8.520 1.00 40.25 H new ATOM 0 HD22 LEU A 22 9.221 14.808 8.501 1.00 40.25 H new ATOM 0 HD23 LEU A 22 8.162 13.389 8.323 1.00 40.25 H new ATOM 360 N ASP A 23 5.294 16.239 6.577 1.00 13.24 N ATOM 361 CA ASP A 23 4.561 17.262 7.305 1.00 13.35 C ATOM 362 C ASP A 23 3.209 16.695 7.743 1.00 20.45 C ATOM 363 O ASP A 23 2.571 17.198 8.670 1.00 44.11 O ATOM 364 CB ASP A 23 4.382 18.505 6.419 1.00 52.44 C ATOM 365 CG ASP A 23 3.846 19.714 7.155 1.00 12.32 C ATOM 366 OD1 ASP A 23 4.666 20.526 7.671 1.00 43.14 O ATOM 367 OD2 ASP A 23 2.628 19.903 7.206 1.00 21.33 O ATOM 0 H ASP A 23 5.117 16.224 5.573 1.00 13.24 H new ATOM 0 HA ASP A 23 5.118 17.560 8.193 1.00 13.35 H new ATOM 0 HB2 ASP A 23 5.343 18.761 5.972 1.00 52.44 H new ATOM 0 HB3 ASP A 23 3.705 18.261 5.601 1.00 52.44 H new ATOM 372 N HIS A 24 2.835 15.578 7.132 1.00 2.44 N ATOM 373 CA HIS A 24 1.545 14.939 7.366 1.00 64.23 C ATOM 374 C HIS A 24 1.704 13.446 7.678 1.00 73.12 C ATOM 375 O HIS A 24 1.484 12.594 6.804 1.00 43.13 O ATOM 376 CB HIS A 24 0.621 15.081 6.149 1.00 40.05 C ATOM 377 CG HIS A 24 0.065 16.440 5.897 1.00 61.41 C ATOM 378 ND1 HIS A 24 0.766 17.462 5.316 1.00 23.43 N ATOM 379 CD2 HIS A 24 -1.171 16.923 6.140 1.00 25.04 C ATOM 380 CE1 HIS A 24 -0.032 18.518 5.225 1.00 4.41 C ATOM 381 NE2 HIS A 24 -1.234 18.247 5.716 1.00 1.11 N ATOM 0 H HIS A 24 3.421 15.087 6.457 1.00 2.44 H new ATOM 0 HA HIS A 24 1.103 15.446 8.224 1.00 64.23 H new ATOM 0 HB2 HIS A 24 1.172 14.767 5.263 1.00 40.05 H new ATOM 0 HB3 HIS A 24 -0.211 14.388 6.269 1.00 40.05 H new ATOM 0 HD2 HIS A 24 -1.982 16.371 6.591 1.00 25.04 H new ATOM 0 HE1 HIS A 24 0.258 19.471 4.807 1.00 4.41 H new ATOM 0 HE2 HIS A 24 -2.035 18.876 5.771 1.00 1.11 H new ATOM 389 N PRO A 25 2.067 13.089 8.925 1.00 11.22 N ATOM 390 CA PRO A 25 2.258 11.681 9.320 1.00 64.51 C ATOM 391 C PRO A 25 0.930 10.906 9.293 1.00 73.42 C ATOM 392 O PRO A 25 0.896 9.668 9.304 1.00 51.13 O ATOM 393 CB PRO A 25 2.813 11.776 10.745 1.00 51.55 C ATOM 394 CG PRO A 25 2.384 13.118 11.239 1.00 50.03 C ATOM 395 CD PRO A 25 2.334 14.017 10.040 1.00 53.30 C ATOM 0 HA PRO A 25 2.921 11.142 8.643 1.00 64.51 H new ATOM 0 HB2 PRO A 25 2.419 10.979 11.376 1.00 51.55 H new ATOM 0 HB3 PRO A 25 3.899 11.681 10.753 1.00 51.55 H new ATOM 0 HG2 PRO A 25 1.408 13.060 11.721 1.00 50.03 H new ATOM 0 HG3 PRO A 25 3.084 13.500 11.982 1.00 50.03 H new ATOM 0 HD2 PRO A 25 1.550 14.768 10.134 1.00 53.30 H new ATOM 0 HD3 PRO A 25 3.273 14.553 9.900 1.00 53.30 H new ATOM 403 N GLU A 26 -0.153 11.661 9.218 1.00 31.22 N ATOM 404 CA GLU A 26 -1.479 11.134 9.118 1.00 51.35 C ATOM 405 C GLU A 26 -1.655 10.364 7.807 1.00 70.41 C ATOM 406 O GLU A 26 -2.230 9.307 7.798 1.00 51.43 O ATOM 407 CB GLU A 26 -2.488 12.270 9.215 1.00 34.53 C ATOM 408 CG GLU A 26 -2.333 13.312 8.131 1.00 43.32 C ATOM 409 CD GLU A 26 -3.293 14.446 8.267 1.00 75.21 C ATOM 410 OE1 GLU A 26 -3.041 15.364 9.067 1.00 22.45 O ATOM 411 OE2 GLU A 26 -4.322 14.444 7.580 1.00 42.33 O ATOM 0 H GLU A 26 -0.120 12.680 9.226 1.00 31.22 H new ATOM 0 HA GLU A 26 -1.649 10.439 9.940 1.00 51.35 H new ATOM 0 HB2 GLU A 26 -3.495 11.855 9.167 1.00 34.53 H new ATOM 0 HB3 GLU A 26 -2.387 12.752 10.188 1.00 34.53 H new ATOM 0 HG2 GLU A 26 -1.315 13.701 8.152 1.00 43.32 H new ATOM 0 HG3 GLU A 26 -2.473 12.840 7.159 1.00 43.32 H new ATOM 418 N ILE A 27 -1.073 10.881 6.725 1.00 12.13 N ATOM 419 CA ILE A 27 -1.205 10.289 5.402 1.00 50.55 C ATOM 420 C ILE A 27 -0.463 8.974 5.355 1.00 61.53 C ATOM 421 O ILE A 27 -0.931 8.000 4.768 1.00 14.41 O ATOM 422 CB ILE A 27 -0.701 11.271 4.316 1.00 72.33 C ATOM 423 CG1 ILE A 27 -1.511 12.568 4.440 1.00 11.23 C ATOM 424 CG2 ILE A 27 -0.828 10.671 2.905 1.00 42.15 C ATOM 425 CD1 ILE A 27 -1.208 13.603 3.398 1.00 53.54 C ATOM 0 H ILE A 27 -0.497 11.723 6.745 1.00 12.13 H new ATOM 0 HA ILE A 27 -2.257 10.091 5.197 1.00 50.55 H new ATOM 0 HB ILE A 27 0.359 11.473 4.469 1.00 72.33 H new ATOM 0 HG12 ILE A 27 -2.572 12.323 4.390 1.00 11.23 H new ATOM 0 HG13 ILE A 27 -1.329 13.000 5.424 1.00 11.23 H new ATOM 0 HG21 ILE A 27 -0.465 11.389 2.170 1.00 42.15 H new ATOM 0 HG22 ILE A 27 -0.236 9.758 2.843 1.00 42.15 H new ATOM 0 HG23 ILE A 27 -1.873 10.440 2.701 1.00 42.15 H new ATOM 0 HD11 ILE A 27 -1.829 14.483 3.568 1.00 53.54 H new ATOM 0 HD12 ILE A 27 -0.156 13.884 3.459 1.00 53.54 H new ATOM 0 HD13 ILE A 27 -1.418 13.196 2.409 1.00 53.54 H new ATOM 437 N TYR A 28 0.655 8.942 6.054 1.00 24.54 N ATOM 438 CA TYR A 28 1.461 7.743 6.199 1.00 72.43 C ATOM 439 C TYR A 28 0.597 6.658 6.835 1.00 12.20 C ATOM 440 O TYR A 28 0.454 5.552 6.312 1.00 33.13 O ATOM 441 CB TYR A 28 2.628 8.050 7.140 1.00 10.12 C ATOM 442 CG TYR A 28 3.652 6.953 7.250 1.00 12.53 C ATOM 443 CD1 TYR A 28 4.602 6.770 6.265 1.00 63.42 C ATOM 444 CD2 TYR A 28 3.661 6.097 8.338 1.00 34.03 C ATOM 445 CE1 TYR A 28 5.527 5.762 6.355 1.00 50.31 C ATOM 446 CE2 TYR A 28 4.586 5.086 8.438 1.00 23.34 C ATOM 447 CZ TYR A 28 5.513 4.917 7.448 1.00 74.15 C ATOM 448 OH TYR A 28 6.442 3.913 7.554 1.00 34.45 O ATOM 0 H TYR A 28 1.034 9.754 6.542 1.00 24.54 H new ATOM 0 HA TYR A 28 1.834 7.415 5.229 1.00 72.43 H new ATOM 0 HB2 TYR A 28 3.124 8.958 6.798 1.00 10.12 H new ATOM 0 HB3 TYR A 28 2.231 8.259 8.133 1.00 10.12 H new ATOM 0 HD1 TYR A 28 4.617 7.431 5.411 1.00 63.42 H new ATOM 0 HD2 TYR A 28 2.929 6.226 9.121 1.00 34.03 H new ATOM 0 HE1 TYR A 28 6.263 5.629 5.576 1.00 50.31 H new ATOM 0 HE2 TYR A 28 4.581 4.428 9.295 1.00 23.34 H new ATOM 0 HH TYR A 28 6.291 3.413 8.383 1.00 34.45 H new ATOM 458 N ARG A 29 0.000 7.024 7.947 1.00 62.25 N ATOM 459 CA ARG A 29 -0.839 6.180 8.726 1.00 14.41 C ATOM 460 C ARG A 29 -2.088 5.748 7.946 1.00 21.02 C ATOM 461 O ARG A 29 -2.478 4.575 7.980 1.00 11.12 O ATOM 462 CB ARG A 29 -1.245 6.955 9.943 1.00 22.12 C ATOM 463 CG ARG A 29 -2.087 6.199 10.892 1.00 71.14 C ATOM 464 CD ARG A 29 -2.472 7.075 12.036 1.00 55.12 C ATOM 465 NE ARG A 29 -3.323 6.384 12.994 1.00 23.30 N ATOM 466 CZ ARG A 29 -3.383 6.653 14.294 1.00 23.53 C ATOM 467 NH1 ARG A 29 -2.482 7.450 14.871 1.00 71.25 N ATOM 468 NH2 ARG A 29 -4.328 6.099 15.017 1.00 33.02 N ATOM 0 H ARG A 29 0.099 7.961 8.339 1.00 62.25 H new ATOM 0 HA ARG A 29 -0.297 5.273 8.993 1.00 14.41 H new ATOM 0 HB2 ARG A 29 -0.347 7.292 10.461 1.00 22.12 H new ATOM 0 HB3 ARG A 29 -1.785 7.848 9.628 1.00 22.12 H new ATOM 0 HG2 ARG A 29 -2.980 5.832 10.387 1.00 71.14 H new ATOM 0 HG3 ARG A 29 -1.546 5.326 11.257 1.00 71.14 H new ATOM 0 HD2 ARG A 29 -1.572 7.428 12.540 1.00 55.12 H new ATOM 0 HD3 ARG A 29 -2.992 7.955 11.659 1.00 55.12 H new ATOM 0 HE ARG A 29 -3.919 5.636 12.640 1.00 23.30 H new ATOM 0 HH11 ARG A 29 -1.734 7.862 14.313 1.00 71.25 H new ATOM 0 HH12 ARG A 29 -2.541 7.647 15.870 1.00 71.25 H new ATOM 0 HH21 ARG A 29 -5.003 5.472 14.580 1.00 33.02 H new ATOM 0 HH22 ARG A 29 -4.387 6.296 16.016 1.00 33.02 H new ATOM 482 N SER A 30 -2.693 6.693 7.227 1.00 13.41 N ATOM 483 CA SER A 30 -3.882 6.433 6.447 1.00 3.31 C ATOM 484 C SER A 30 -3.599 5.407 5.376 1.00 32.10 C ATOM 485 O SER A 30 -4.474 4.665 4.977 1.00 64.22 O ATOM 486 CB SER A 30 -4.427 7.724 5.841 1.00 0.32 C ATOM 487 OG SER A 30 -4.766 8.654 6.858 1.00 3.32 O ATOM 0 H SER A 30 -2.365 7.658 7.175 1.00 13.41 H new ATOM 0 HA SER A 30 -4.646 6.028 7.110 1.00 3.31 H new ATOM 0 HB2 SER A 30 -3.683 8.161 5.175 1.00 0.32 H new ATOM 0 HB3 SER A 30 -5.306 7.504 5.235 1.00 0.32 H new ATOM 0 HG SER A 30 -3.949 8.978 7.291 1.00 3.32 H new ATOM 493 N PHE A 31 -2.381 5.375 4.916 1.00 13.22 N ATOM 494 CA PHE A 31 -1.976 4.393 3.972 1.00 41.45 C ATOM 495 C PHE A 31 -1.811 3.032 4.632 1.00 34.44 C ATOM 496 O PHE A 31 -2.267 2.009 4.105 1.00 12.32 O ATOM 497 CB PHE A 31 -0.693 4.795 3.293 1.00 74.32 C ATOM 498 CG PHE A 31 -0.122 3.675 2.526 1.00 24.41 C ATOM 499 CD1 PHE A 31 -0.747 3.240 1.380 1.00 52.52 C ATOM 500 CD2 PHE A 31 0.994 3.015 2.986 1.00 30.02 C ATOM 501 CE1 PHE A 31 -0.273 2.166 0.689 1.00 1.43 C ATOM 502 CE2 PHE A 31 1.496 1.934 2.303 1.00 42.22 C ATOM 503 CZ PHE A 31 0.863 1.500 1.144 1.00 64.21 C ATOM 0 H PHE A 31 -1.648 6.030 5.188 1.00 13.22 H new ATOM 0 HA PHE A 31 -2.761 4.319 3.219 1.00 41.45 H new ATOM 0 HB2 PHE A 31 -0.880 5.637 2.627 1.00 74.32 H new ATOM 0 HB3 PHE A 31 0.026 5.132 4.039 1.00 74.32 H new ATOM 0 HD1 PHE A 31 -1.625 3.757 1.023 1.00 52.52 H new ATOM 0 HD2 PHE A 31 1.479 3.349 3.891 1.00 30.02 H new ATOM 0 HE1 PHE A 31 -0.775 1.832 -0.207 1.00 1.43 H new ATOM 0 HE2 PHE A 31 2.377 1.424 2.664 1.00 42.22 H new ATOM 0 HZ PHE A 31 1.250 0.651 0.599 1.00 64.21 H new ATOM 513 N LEU A 32 -1.143 3.027 5.762 1.00 71.33 N ATOM 514 CA LEU A 32 -0.879 1.827 6.522 1.00 63.25 C ATOM 515 C LEU A 32 -2.160 1.076 6.830 1.00 40.21 C ATOM 516 O LEU A 32 -2.193 -0.166 6.807 1.00 51.24 O ATOM 517 CB LEU A 32 -0.161 2.195 7.809 1.00 62.23 C ATOM 518 CG LEU A 32 1.225 2.798 7.653 1.00 72.25 C ATOM 519 CD1 LEU A 32 1.799 3.084 9.012 1.00 21.41 C ATOM 520 CD2 LEU A 32 2.152 1.881 6.847 1.00 21.43 C ATOM 0 H LEU A 32 -0.761 3.872 6.187 1.00 71.33 H new ATOM 0 HA LEU A 32 -0.247 1.169 5.925 1.00 63.25 H new ATOM 0 HB2 LEU A 32 -0.783 2.902 8.358 1.00 62.23 H new ATOM 0 HB3 LEU A 32 -0.078 1.299 8.424 1.00 62.23 H new ATOM 0 HG LEU A 32 1.139 3.731 7.095 1.00 72.25 H new ATOM 0 HD11 LEU A 32 2.793 3.517 8.903 1.00 21.41 H new ATOM 0 HD12 LEU A 32 1.153 3.786 9.539 1.00 21.41 H new ATOM 0 HD13 LEU A 32 1.867 2.157 9.581 1.00 21.41 H new ATOM 0 HD21 LEU A 32 3.134 2.345 6.756 1.00 21.43 H new ATOM 0 HD22 LEU A 32 2.249 0.923 7.357 1.00 21.43 H new ATOM 0 HD23 LEU A 32 1.733 1.722 5.854 1.00 21.43 H new ATOM 532 N GLU A 33 -3.212 1.816 7.074 1.00 31.20 N ATOM 533 CA GLU A 33 -4.476 1.231 7.392 1.00 44.52 C ATOM 534 C GLU A 33 -5.085 0.543 6.151 1.00 71.20 C ATOM 535 O GLU A 33 -5.723 -0.500 6.265 1.00 22.11 O ATOM 536 CB GLU A 33 -5.404 2.284 7.993 1.00 65.34 C ATOM 537 CG GLU A 33 -6.162 3.162 7.006 1.00 51.34 C ATOM 538 CD GLU A 33 -7.033 4.154 7.720 1.00 62.23 C ATOM 539 OE1 GLU A 33 -8.069 3.740 8.281 1.00 62.44 O ATOM 540 OE2 GLU A 33 -6.705 5.355 7.758 1.00 2.14 O ATOM 0 H GLU A 33 -3.210 2.836 7.056 1.00 31.20 H new ATOM 0 HA GLU A 33 -4.336 0.454 8.144 1.00 44.52 H new ATOM 0 HB2 GLU A 33 -6.131 1.777 8.627 1.00 65.34 H new ATOM 0 HB3 GLU A 33 -4.812 2.931 8.641 1.00 65.34 H new ATOM 0 HG2 GLU A 33 -5.454 3.690 6.367 1.00 51.34 H new ATOM 0 HG3 GLU A 33 -6.775 2.538 6.356 1.00 51.34 H new ATOM 547 N ILE A 34 -4.810 1.102 4.971 1.00 10.24 N ATOM 548 CA ILE A 34 -5.281 0.578 3.715 1.00 43.23 C ATOM 549 C ILE A 34 -4.594 -0.736 3.423 1.00 61.44 C ATOM 550 O ILE A 34 -5.238 -1.705 3.092 1.00 21.54 O ATOM 551 CB ILE A 34 -4.994 1.587 2.575 1.00 65.45 C ATOM 552 CG1 ILE A 34 -5.758 2.877 2.831 1.00 0.45 C ATOM 553 CG2 ILE A 34 -5.342 1.003 1.211 1.00 2.04 C ATOM 554 CD1 ILE A 34 -5.357 4.011 1.933 1.00 11.12 C ATOM 0 H ILE A 34 -4.244 1.945 4.874 1.00 10.24 H new ATOM 0 HA ILE A 34 -6.357 0.416 3.778 1.00 43.23 H new ATOM 0 HB ILE A 34 -3.926 1.804 2.564 1.00 65.45 H new ATOM 0 HG12 ILE A 34 -6.824 2.687 2.706 1.00 0.45 H new ATOM 0 HG13 ILE A 34 -5.607 3.177 3.868 1.00 0.45 H new ATOM 0 HG21 ILE A 34 -5.128 1.738 0.435 1.00 2.04 H new ATOM 0 HG22 ILE A 34 -4.746 0.107 1.036 1.00 2.04 H new ATOM 0 HG23 ILE A 34 -6.401 0.746 1.185 1.00 2.04 H new ATOM 0 HD11 ILE A 34 -5.946 4.895 2.178 1.00 11.12 H new ATOM 0 HD12 ILE A 34 -4.299 4.230 2.074 1.00 11.12 H new ATOM 0 HD13 ILE A 34 -5.534 3.733 0.894 1.00 11.12 H new ATOM 566 N LEU A 35 -3.284 -0.772 3.587 1.00 23.53 N ATOM 567 CA LEU A 35 -2.517 -1.964 3.322 1.00 61.23 C ATOM 568 C LEU A 35 -2.932 -3.072 4.315 1.00 54.50 C ATOM 569 O LEU A 35 -3.007 -4.257 3.959 1.00 1.41 O ATOM 570 CB LEU A 35 -1.033 -1.614 3.448 1.00 74.51 C ATOM 571 CG LEU A 35 -0.018 -2.452 2.650 1.00 51.54 C ATOM 572 CD1 LEU A 35 0.037 -3.911 3.093 1.00 62.43 C ATOM 573 CD2 LEU A 35 -0.291 -2.357 1.157 1.00 43.25 C ATOM 0 H LEU A 35 -2.729 0.022 3.906 1.00 23.53 H new ATOM 0 HA LEU A 35 -2.705 -2.338 2.316 1.00 61.23 H new ATOM 0 HB2 LEU A 35 -0.910 -0.572 3.152 1.00 74.51 H new ATOM 0 HB3 LEU A 35 -0.764 -1.680 4.502 1.00 74.51 H new ATOM 0 HG LEU A 35 0.963 -2.025 2.861 1.00 51.54 H new ATOM 0 HD11 LEU A 35 0.771 -4.447 2.491 1.00 62.43 H new ATOM 0 HD12 LEU A 35 0.322 -3.962 4.144 1.00 62.43 H new ATOM 0 HD13 LEU A 35 -0.943 -4.369 2.961 1.00 62.43 H new ATOM 0 HD21 LEU A 35 0.439 -2.957 0.615 1.00 43.25 H new ATOM 0 HD22 LEU A 35 -1.294 -2.728 0.946 1.00 43.25 H new ATOM 0 HD23 LEU A 35 -0.214 -1.317 0.839 1.00 43.25 H new ATOM 585 N HIS A 36 -3.245 -2.669 5.538 1.00 4.11 N ATOM 586 CA HIS A 36 -3.706 -3.600 6.550 1.00 3.42 C ATOM 587 C HIS A 36 -5.065 -4.162 6.119 1.00 12.45 C ATOM 588 O HIS A 36 -5.268 -5.371 6.074 1.00 74.54 O ATOM 589 CB HIS A 36 -3.808 -2.900 7.911 1.00 21.42 C ATOM 590 CG HIS A 36 -4.011 -3.836 9.054 1.00 43.24 C ATOM 591 ND1 HIS A 36 -5.135 -3.867 9.851 1.00 35.54 N ATOM 592 CD2 HIS A 36 -3.179 -4.779 9.543 1.00 2.03 C ATOM 593 CE1 HIS A 36 -4.954 -4.806 10.776 1.00 14.13 C ATOM 594 NE2 HIS A 36 -3.774 -5.394 10.630 1.00 44.30 N ATOM 0 H HIS A 36 -3.187 -1.700 5.851 1.00 4.11 H new ATOM 0 HA HIS A 36 -2.994 -4.419 6.653 1.00 3.42 H new ATOM 0 HB2 HIS A 36 -2.899 -2.324 8.082 1.00 21.42 H new ATOM 0 HB3 HIS A 36 -4.635 -2.190 7.883 1.00 21.42 H new ATOM 0 HD1 HIS A 36 -5.959 -3.275 9.750 1.00 35.54 H new ATOM 0 HD2 HIS A 36 -2.202 -5.016 9.148 1.00 2.03 H new ATOM 0 HE1 HIS A 36 -5.672 -5.056 11.543 1.00 14.13 H new ATOM 602 N THR A 37 -5.952 -3.259 5.765 1.00 72.24 N ATOM 603 CA THR A 37 -7.266 -3.564 5.230 1.00 32.20 C ATOM 604 C THR A 37 -7.184 -4.463 3.977 1.00 71.02 C ATOM 605 O THR A 37 -7.992 -5.377 3.798 1.00 1.33 O ATOM 606 CB THR A 37 -7.993 -2.223 4.934 1.00 20.35 C ATOM 607 OG1 THR A 37 -8.647 -1.734 6.114 1.00 25.32 O ATOM 608 CG2 THR A 37 -8.937 -2.270 3.737 1.00 60.33 C ATOM 0 H THR A 37 -5.775 -2.257 5.843 1.00 72.24 H new ATOM 0 HA THR A 37 -7.835 -4.134 5.965 1.00 32.20 H new ATOM 0 HB THR A 37 -7.217 -1.516 4.642 1.00 20.35 H new ATOM 0 HG1 THR A 37 -9.099 -0.888 5.911 1.00 25.32 H new ATOM 0 HG21 THR A 37 -9.402 -1.293 3.602 1.00 60.33 H new ATOM 0 HG22 THR A 37 -8.375 -2.532 2.840 1.00 60.33 H new ATOM 0 HG23 THR A 37 -9.710 -3.019 3.912 1.00 60.33 H new ATOM 616 N TYR A 38 -6.186 -4.223 3.164 1.00 13.22 N ATOM 617 CA TYR A 38 -5.975 -4.957 1.949 1.00 5.31 C ATOM 618 C TYR A 38 -5.713 -6.421 2.252 1.00 51.01 C ATOM 619 O TYR A 38 -6.344 -7.316 1.682 1.00 50.11 O ATOM 620 CB TYR A 38 -4.810 -4.354 1.181 1.00 73.42 C ATOM 621 CG TYR A 38 -4.648 -4.956 -0.150 1.00 75.43 C ATOM 622 CD1 TYR A 38 -5.435 -4.519 -1.155 1.00 44.31 C ATOM 623 CD2 TYR A 38 -3.743 -5.978 -0.392 1.00 53.25 C ATOM 624 CE1 TYR A 38 -5.350 -5.066 -2.424 1.00 65.43 C ATOM 625 CE2 TYR A 38 -3.644 -6.552 -1.645 1.00 12.44 C ATOM 626 CZ TYR A 38 -4.451 -6.087 -2.664 1.00 62.31 C ATOM 627 OH TYR A 38 -4.370 -6.657 -3.924 1.00 51.33 O ATOM 0 H TYR A 38 -5.488 -3.499 3.334 1.00 13.22 H new ATOM 0 HA TYR A 38 -6.873 -4.893 1.335 1.00 5.31 H new ATOM 0 HB2 TYR A 38 -4.964 -3.280 1.075 1.00 73.42 H new ATOM 0 HB3 TYR A 38 -3.892 -4.489 1.753 1.00 73.42 H new ATOM 0 HD1 TYR A 38 -6.145 -3.727 -0.966 1.00 44.31 H new ATOM 0 HD2 TYR A 38 -3.108 -6.329 0.408 1.00 53.25 H new ATOM 0 HE1 TYR A 38 -5.981 -4.698 -3.219 1.00 65.43 H new ATOM 0 HE2 TYR A 38 -2.944 -7.354 -1.825 1.00 12.44 H new ATOM 0 HH TYR A 38 -3.550 -7.190 -3.990 1.00 51.33 H new ATOM 637 N GLN A 39 -4.811 -6.655 3.182 1.00 33.54 N ATOM 638 CA GLN A 39 -4.482 -7.999 3.611 1.00 74.13 C ATOM 639 C GLN A 39 -5.655 -8.662 4.301 1.00 71.41 C ATOM 640 O GLN A 39 -5.748 -9.885 4.350 1.00 12.25 O ATOM 641 CB GLN A 39 -3.224 -8.007 4.464 1.00 75.00 C ATOM 642 CG GLN A 39 -1.978 -7.775 3.632 1.00 2.41 C ATOM 643 CD GLN A 39 -1.725 -8.930 2.675 1.00 34.24 C ATOM 644 OE1 GLN A 39 -2.044 -10.087 2.978 1.00 33.33 O ATOM 645 NE2 GLN A 39 -1.196 -8.639 1.528 1.00 75.31 N ATOM 0 H GLN A 39 -4.287 -5.922 3.661 1.00 33.54 H new ATOM 0 HA GLN A 39 -4.268 -8.595 2.724 1.00 74.13 H new ATOM 0 HB2 GLN A 39 -3.299 -7.235 5.229 1.00 75.00 H new ATOM 0 HB3 GLN A 39 -3.142 -8.962 4.982 1.00 75.00 H new ATOM 0 HG2 GLN A 39 -2.084 -6.849 3.067 1.00 2.41 H new ATOM 0 HG3 GLN A 39 -1.118 -7.651 4.290 1.00 2.41 H new ATOM 0 HE21 GLN A 39 -0.945 -7.674 1.312 1.00 75.31 H new ATOM 0 HE22 GLN A 39 -1.030 -9.375 0.841 1.00 75.31 H new ATOM 654 N LYS A 40 -6.551 -7.849 4.820 1.00 43.44 N ATOM 655 CA LYS A 40 -7.760 -8.336 5.414 1.00 74.24 C ATOM 656 C LYS A 40 -8.800 -8.770 4.391 1.00 13.22 C ATOM 657 O LYS A 40 -9.682 -9.551 4.712 1.00 23.01 O ATOM 658 CB LYS A 40 -8.320 -7.387 6.452 1.00 31.41 C ATOM 659 CG LYS A 40 -7.802 -7.703 7.849 1.00 62.54 C ATOM 660 CD LYS A 40 -6.285 -7.615 7.956 1.00 72.01 C ATOM 661 CE LYS A 40 -5.795 -8.096 9.300 1.00 12.34 C ATOM 662 NZ LYS A 40 -4.326 -8.048 9.402 1.00 5.41 N ATOM 0 H LYS A 40 -6.454 -6.834 4.838 1.00 43.44 H new ATOM 0 HA LYS A 40 -7.481 -9.244 5.948 1.00 74.24 H new ATOM 0 HB2 LYS A 40 -8.054 -6.363 6.189 1.00 31.41 H new ATOM 0 HB3 LYS A 40 -9.408 -7.445 6.447 1.00 31.41 H new ATOM 0 HG2 LYS A 40 -8.252 -7.012 8.562 1.00 62.54 H new ATOM 0 HG3 LYS A 40 -8.123 -8.706 8.131 1.00 62.54 H new ATOM 0 HD2 LYS A 40 -5.829 -8.212 7.167 1.00 72.01 H new ATOM 0 HD3 LYS A 40 -5.968 -6.584 7.800 1.00 72.01 H new ATOM 0 HE2 LYS A 40 -6.233 -7.482 10.087 1.00 12.34 H new ATOM 0 HE3 LYS A 40 -6.137 -9.118 9.466 1.00 12.34 H new ATOM 0 HZ1 LYS A 40 -3.990 -8.858 9.962 1.00 5.41 H new ATOM 0 HZ2 LYS A 40 -3.910 -8.089 8.450 1.00 5.41 H new ATOM 0 HZ3 LYS A 40 -4.039 -7.163 9.867 1.00 5.41 H new ATOM 676 N GLU A 41 -8.718 -8.271 3.157 1.00 64.22 N ATOM 677 CA GLU A 41 -9.597 -8.800 2.118 1.00 34.13 C ATOM 678 C GLU A 41 -8.966 -10.069 1.572 1.00 75.33 C ATOM 679 O GLU A 41 -9.639 -10.969 1.130 1.00 35.14 O ATOM 680 CB GLU A 41 -9.872 -7.819 0.954 1.00 3.54 C ATOM 681 CG GLU A 41 -10.889 -8.404 -0.040 1.00 53.34 C ATOM 682 CD GLU A 41 -11.095 -7.616 -1.306 1.00 21.10 C ATOM 683 OE1 GLU A 41 -10.315 -7.811 -2.264 1.00 21.23 O ATOM 684 OE2 GLU A 41 -12.081 -6.865 -1.402 1.00 21.21 O ATOM 0 H GLU A 41 -8.080 -7.532 2.861 1.00 64.22 H new ATOM 0 HA GLU A 41 -10.566 -8.986 2.580 1.00 34.13 H new ATOM 0 HB2 GLU A 41 -10.249 -6.876 1.351 1.00 3.54 H new ATOM 0 HB3 GLU A 41 -8.940 -7.596 0.435 1.00 3.54 H new ATOM 0 HG2 GLU A 41 -10.568 -9.410 -0.309 1.00 53.34 H new ATOM 0 HG3 GLU A 41 -11.850 -8.500 0.466 1.00 53.34 H new ATOM 691 N GLN A 42 -7.655 -10.136 1.650 1.00 73.14 N ATOM 692 CA GLN A 42 -6.916 -11.298 1.182 1.00 44.44 C ATOM 693 C GLN A 42 -6.786 -12.333 2.298 1.00 64.51 C ATOM 694 O GLN A 42 -6.030 -13.291 2.189 1.00 21.25 O ATOM 695 CB GLN A 42 -5.535 -10.884 0.695 1.00 54.32 C ATOM 696 CG GLN A 42 -5.551 -9.830 -0.407 1.00 33.32 C ATOM 697 CD GLN A 42 -6.315 -10.262 -1.647 1.00 43.34 C ATOM 698 OE1 GLN A 42 -6.393 -11.447 -1.986 1.00 2.44 O ATOM 699 NE2 GLN A 42 -6.892 -9.314 -2.332 1.00 42.01 N ATOM 0 H GLN A 42 -7.071 -9.395 2.036 1.00 73.14 H new ATOM 0 HA GLN A 42 -7.465 -11.744 0.352 1.00 44.44 H new ATOM 0 HB2 GLN A 42 -4.964 -10.501 1.540 1.00 54.32 H new ATOM 0 HB3 GLN A 42 -5.011 -11.767 0.330 1.00 54.32 H new ATOM 0 HG2 GLN A 42 -5.995 -8.914 -0.017 1.00 33.32 H new ATOM 0 HG3 GLN A 42 -4.525 -9.592 -0.687 1.00 33.32 H new ATOM 0 HE21 GLN A 42 -6.811 -8.344 -2.028 1.00 42.01 H new ATOM 0 HE22 GLN A 42 -7.425 -9.543 -3.171 1.00 42.01 H new ATOM 708 N LEU A 43 -7.529 -12.122 3.363 1.00 71.41 N ATOM 709 CA LEU A 43 -7.528 -12.987 4.505 1.00 33.54 C ATOM 710 C LEU A 43 -8.360 -14.213 4.162 1.00 31.24 C ATOM 711 O LEU A 43 -9.522 -14.090 3.772 1.00 72.13 O ATOM 712 CB LEU A 43 -8.120 -12.209 5.715 1.00 73.11 C ATOM 713 CG LEU A 43 -7.906 -12.747 7.128 1.00 20.30 C ATOM 714 CD1 LEU A 43 -8.748 -13.948 7.386 1.00 34.12 C ATOM 715 CD2 LEU A 43 -6.440 -13.054 7.350 1.00 72.44 C ATOM 0 H LEU A 43 -8.161 -11.326 3.453 1.00 71.41 H new ATOM 0 HA LEU A 43 -6.521 -13.310 4.770 1.00 33.54 H new ATOM 0 HB2 LEU A 43 -7.714 -11.198 5.685 1.00 73.11 H new ATOM 0 HB3 LEU A 43 -9.195 -12.125 5.556 1.00 73.11 H new ATOM 0 HG LEU A 43 -8.213 -11.978 7.837 1.00 20.30 H new ATOM 0 HD11 LEU A 43 -8.571 -14.305 8.400 1.00 34.12 H new ATOM 0 HD12 LEU A 43 -9.800 -13.686 7.272 1.00 34.12 H new ATOM 0 HD13 LEU A 43 -8.490 -14.733 6.675 1.00 34.12 H new ATOM 0 HD21 LEU A 43 -6.297 -13.437 8.360 1.00 72.44 H new ATOM 0 HD22 LEU A 43 -6.112 -13.802 6.629 1.00 72.44 H new ATOM 0 HD23 LEU A 43 -5.854 -12.144 7.221 1.00 72.44 H new ATOM 727 N HIS A 44 -7.768 -15.370 4.275 1.00 0.54 N ATOM 728 CA HIS A 44 -8.457 -16.606 3.969 1.00 72.31 C ATOM 729 C HIS A 44 -8.872 -17.296 5.260 1.00 64.24 C ATOM 730 O HIS A 44 -8.265 -17.055 6.317 1.00 2.33 O ATOM 731 CB HIS A 44 -7.583 -17.538 3.126 1.00 11.04 C ATOM 732 CG HIS A 44 -7.163 -16.977 1.800 1.00 13.33 C ATOM 733 ND1 HIS A 44 -5.906 -16.477 1.538 1.00 14.21 N ATOM 734 CD2 HIS A 44 -7.856 -16.861 0.646 1.00 73.04 C ATOM 735 CE1 HIS A 44 -5.874 -16.081 0.267 1.00 71.22 C ATOM 736 NE2 HIS A 44 -7.037 -16.294 -0.326 1.00 64.42 N ATOM 0 H HIS A 44 -6.802 -15.489 4.579 1.00 0.54 H new ATOM 0 HA HIS A 44 -9.345 -16.367 3.385 1.00 72.31 H new ATOM 0 HB2 HIS A 44 -6.690 -17.791 3.697 1.00 11.04 H new ATOM 0 HB3 HIS A 44 -8.126 -18.468 2.956 1.00 11.04 H new ATOM 0 HD2 HIS A 44 -8.883 -17.161 0.501 1.00 73.04 H new ATOM 0 HE1 HIS A 44 -5.012 -15.644 -0.216 1.00 71.22 H new ATOM 0 HE2 HIS A 44 -7.282 -16.086 -1.294 1.00 64.42 H new ATOM 744 N THR A 45 -9.873 -18.164 5.160 1.00 2.53 N ATOM 745 CA THR A 45 -10.467 -18.861 6.301 1.00 21.01 C ATOM 746 C THR A 45 -11.302 -17.903 7.129 1.00 30.14 C ATOM 747 O THR A 45 -10.774 -17.113 7.922 1.00 30.52 O ATOM 748 CB THR A 45 -9.420 -19.621 7.162 1.00 23.13 C ATOM 749 OG1 THR A 45 -8.651 -20.492 6.306 1.00 32.33 O ATOM 750 CG2 THR A 45 -10.101 -20.460 8.240 1.00 24.51 C ATOM 0 H THR A 45 -10.304 -18.409 4.269 1.00 2.53 H new ATOM 0 HA THR A 45 -11.126 -19.632 5.902 1.00 21.01 H new ATOM 0 HB THR A 45 -8.774 -18.890 7.647 1.00 23.13 H new ATOM 0 HG1 THR A 45 -7.987 -20.974 6.842 1.00 32.33 H new ATOM 0 HG21 THR A 45 -9.345 -20.981 8.827 1.00 24.51 H new ATOM 0 HG22 THR A 45 -10.684 -19.810 8.893 1.00 24.51 H new ATOM 0 HG23 THR A 45 -10.762 -21.189 7.771 1.00 24.51 H new ATOM 758 N LYS A 46 -12.619 -17.971 6.892 1.00 64.33 N ATOM 759 CA LYS A 46 -13.623 -17.124 7.520 1.00 31.34 C ATOM 760 C LYS A 46 -13.607 -15.712 6.942 1.00 50.35 C ATOM 761 O LYS A 46 -12.540 -15.102 6.738 1.00 33.15 O ATOM 762 CB LYS A 46 -13.521 -17.142 9.039 1.00 75.41 C ATOM 763 CG LYS A 46 -13.822 -18.501 9.651 1.00 51.54 C ATOM 764 CD LYS A 46 -13.804 -18.467 11.170 1.00 32.13 C ATOM 765 CE LYS A 46 -14.949 -17.640 11.731 1.00 31.21 C ATOM 766 NZ LYS A 46 -14.964 -17.652 13.204 1.00 72.12 N ATOM 0 H LYS A 46 -13.020 -18.641 6.236 1.00 64.33 H new ATOM 0 HA LYS A 46 -14.599 -17.546 7.281 1.00 31.34 H new ATOM 0 HB2 LYS A 46 -12.517 -16.835 9.331 1.00 75.41 H new ATOM 0 HB3 LYS A 46 -14.212 -16.406 9.450 1.00 75.41 H new ATOM 0 HG2 LYS A 46 -14.799 -18.842 9.309 1.00 51.54 H new ATOM 0 HG3 LYS A 46 -13.089 -19.226 9.297 1.00 51.54 H new ATOM 0 HD2 LYS A 46 -13.867 -19.484 11.557 1.00 32.13 H new ATOM 0 HD3 LYS A 46 -12.855 -18.054 11.513 1.00 32.13 H new ATOM 0 HE2 LYS A 46 -14.862 -16.613 11.377 1.00 31.21 H new ATOM 0 HE3 LYS A 46 -15.896 -18.028 11.355 1.00 31.21 H new ATOM 0 HZ1 LYS A 46 -15.759 -17.077 13.548 1.00 72.12 H new ATOM 0 HZ2 LYS A 46 -15.072 -18.630 13.542 1.00 72.12 H new ATOM 0 HZ3 LYS A 46 -14.071 -17.258 13.563 1.00 72.12 H new ATOM 780 N GLY A 47 -14.774 -15.204 6.676 1.00 23.30 N ATOM 781 CA GLY A 47 -14.899 -13.956 5.974 1.00 33.42 C ATOM 782 C GLY A 47 -14.973 -14.258 4.500 1.00 61.43 C ATOM 783 O GLY A 47 -15.311 -15.398 4.122 1.00 3.51 O ATOM 0 H GLY A 47 -15.660 -15.637 6.936 1.00 23.30 H new ATOM 0 HA2 GLY A 47 -15.793 -13.423 6.299 1.00 33.42 H new ATOM 0 HA3 GLY A 47 -14.047 -13.311 6.189 1.00 33.42 H new ATOM 787 N ARG A 48 -14.684 -13.310 3.664 1.00 0.00 N ATOM 788 CA ARG A 48 -14.656 -13.579 2.251 1.00 44.20 C ATOM 789 C ARG A 48 -13.461 -12.878 1.624 1.00 44.55 C ATOM 790 O ARG A 48 -13.347 -11.644 1.688 1.00 44.23 O ATOM 791 CB ARG A 48 -15.928 -13.116 1.547 1.00 43.54 C ATOM 792 CG ARG A 48 -16.061 -13.650 0.126 1.00 32.55 C ATOM 793 CD ARG A 48 -16.420 -15.130 0.119 1.00 52.44 C ATOM 794 NE ARG A 48 -16.427 -15.693 -1.237 1.00 61.41 N ATOM 795 CZ ARG A 48 -17.204 -16.710 -1.651 1.00 51.32 C ATOM 796 NH1 ARG A 48 -18.053 -17.295 -0.810 1.00 54.53 N ATOM 797 NH2 ARG A 48 -17.114 -17.145 -2.896 1.00 3.14 N ATOM 0 H ARG A 48 -14.465 -12.349 3.927 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.580 -14.659 2.128 1.00 44.20 H new ATOM 0 HB2 ARG A 48 -16.793 -13.434 2.129 1.00 43.54 H new ATOM 0 HB3 ARG A 48 -15.944 -12.026 1.521 1.00 43.54 H new ATOM 0 HG2 ARG A 48 -16.827 -13.086 -0.406 1.00 32.55 H new ATOM 0 HG3 ARG A 48 -15.124 -13.499 -0.410 1.00 32.55 H new ATOM 0 HD2 ARG A 48 -15.706 -15.678 0.734 1.00 52.44 H new ATOM 0 HD3 ARG A 48 -17.402 -15.266 0.572 1.00 52.44 H new ATOM 0 HE ARG A 48 -15.792 -15.280 -1.920 1.00 61.41 H new ATOM 0 HH11 ARG A 48 -18.118 -16.973 0.156 1.00 54.53 H new ATOM 0 HH12 ARG A 48 -18.639 -18.066 -1.131 1.00 54.53 H new ATOM 0 HH21 ARG A 48 -16.456 -16.710 -3.542 1.00 3.14 H new ATOM 0 HH22 ARG A 48 -17.703 -17.916 -3.211 1.00 3.14 H new ATOM 811 N PRO A 49 -12.588 -13.627 0.967 1.00 54.33 N ATOM 812 CA PRO A 49 -11.386 -13.094 0.329 1.00 70.00 C ATOM 813 C PRO A 49 -11.676 -12.455 -1.013 1.00 10.51 C ATOM 814 O PRO A 49 -10.896 -12.570 -1.976 1.00 21.22 O ATOM 815 CB PRO A 49 -10.476 -14.308 0.205 1.00 44.44 C ATOM 816 CG PRO A 49 -11.404 -15.473 0.103 1.00 0.51 C ATOM 817 CD PRO A 49 -12.701 -15.071 0.777 1.00 13.52 C ATOM 0 HA PRO A 49 -10.933 -12.288 0.907 1.00 70.00 H new ATOM 0 HB2 PRO A 49 -9.836 -14.234 -0.674 1.00 44.44 H new ATOM 0 HB3 PRO A 49 -9.820 -14.400 1.070 1.00 44.44 H new ATOM 0 HG2 PRO A 49 -11.578 -15.737 -0.940 1.00 0.51 H new ATOM 0 HG3 PRO A 49 -10.975 -16.351 0.586 1.00 0.51 H new ATOM 0 HD2 PRO A 49 -13.563 -15.323 0.159 1.00 13.52 H new ATOM 0 HD3 PRO A 49 -12.829 -15.587 1.729 1.00 13.52 H new ATOM 825 N PHE A 50 -12.730 -11.689 -1.033 1.00 23.41 N ATOM 826 CA PHE A 50 -13.216 -11.113 -2.235 1.00 35.21 C ATOM 827 C PHE A 50 -14.087 -9.892 -1.938 1.00 13.15 C ATOM 828 O PHE A 50 -14.682 -9.289 -2.830 1.00 71.41 O ATOM 829 CB PHE A 50 -13.974 -12.226 -2.934 1.00 61.54 C ATOM 830 CG PHE A 50 -14.606 -11.897 -4.269 1.00 71.24 C ATOM 831 CD1 PHE A 50 -13.827 -11.696 -5.392 1.00 4.42 C ATOM 832 CD2 PHE A 50 -15.986 -11.786 -4.387 1.00 15.00 C ATOM 833 CE1 PHE A 50 -14.408 -11.396 -6.609 1.00 12.03 C ATOM 834 CE2 PHE A 50 -16.572 -11.485 -5.600 1.00 54.21 C ATOM 835 CZ PHE A 50 -15.784 -11.291 -6.713 1.00 2.44 C ATOM 0 H PHE A 50 -13.274 -11.450 -0.204 1.00 23.41 H new ATOM 0 HA PHE A 50 -12.417 -10.738 -2.874 1.00 35.21 H new ATOM 0 HB2 PHE A 50 -13.289 -13.061 -3.081 1.00 61.54 H new ATOM 0 HB3 PHE A 50 -14.761 -12.572 -2.264 1.00 61.54 H new ATOM 0 HD1 PHE A 50 -12.752 -11.774 -5.318 1.00 4.42 H new ATOM 0 HD2 PHE A 50 -16.609 -11.937 -3.518 1.00 15.00 H new ATOM 0 HE1 PHE A 50 -13.788 -11.243 -7.480 1.00 12.03 H new ATOM 0 HE2 PHE A 50 -17.646 -11.402 -5.676 1.00 54.21 H new ATOM 0 HZ PHE A 50 -16.239 -11.058 -7.664 1.00 2.44 H new ATOM 845 N ARG A 51 -14.113 -9.500 -0.699 1.00 4.34 N ATOM 846 CA ARG A 51 -14.936 -8.388 -0.306 1.00 72.11 C ATOM 847 C ARG A 51 -14.352 -7.729 0.932 1.00 25.02 C ATOM 848 O ARG A 51 -14.169 -8.378 1.962 1.00 33.45 O ATOM 849 CB ARG A 51 -16.370 -8.857 -0.041 1.00 4.22 C ATOM 850 CG ARG A 51 -17.385 -7.733 0.033 1.00 52.35 C ATOM 851 CD ARG A 51 -17.473 -6.998 -1.295 1.00 21.34 C ATOM 852 NE ARG A 51 -18.469 -5.934 -1.282 1.00 14.14 N ATOM 853 CZ ARG A 51 -18.804 -5.189 -2.339 1.00 63.35 C ATOM 854 NH1 ARG A 51 -18.167 -5.346 -3.500 1.00 54.04 N ATOM 855 NH2 ARG A 51 -19.756 -4.270 -2.225 1.00 72.03 N ATOM 0 H ARG A 51 -13.578 -9.929 0.056 1.00 4.34 H new ATOM 0 HA ARG A 51 -14.959 -7.657 -1.115 1.00 72.11 H new ATOM 0 HB2 ARG A 51 -16.666 -9.548 -0.830 1.00 4.22 H new ATOM 0 HB3 ARG A 51 -16.392 -9.414 0.896 1.00 4.22 H new ATOM 0 HG2 ARG A 51 -18.363 -8.136 0.296 1.00 52.35 H new ATOM 0 HG3 ARG A 51 -17.105 -7.035 0.822 1.00 52.35 H new ATOM 0 HD2 ARG A 51 -16.498 -6.575 -1.537 1.00 21.34 H new ATOM 0 HD3 ARG A 51 -17.717 -7.709 -2.084 1.00 21.34 H new ATOM 0 HE ARG A 51 -18.946 -5.744 -0.400 1.00 14.14 H new ATOM 0 HH11 ARG A 51 -17.421 -6.037 -3.583 1.00 54.04 H new ATOM 0 HH12 ARG A 51 -18.426 -4.775 -4.305 1.00 54.04 H new ATOM 0 HH21 ARG A 51 -20.230 -4.134 -1.332 1.00 72.03 H new ATOM 0 HH22 ARG A 51 -20.014 -3.700 -3.031 1.00 72.03 H new ATOM 869 N GLY A 52 -14.030 -6.474 0.811 1.00 73.13 N ATOM 870 CA GLY A 52 -13.473 -5.718 1.899 1.00 53.24 C ATOM 871 C GLY A 52 -12.938 -4.437 1.383 1.00 20.43 C ATOM 872 O GLY A 52 -13.315 -3.348 1.842 1.00 51.42 O ATOM 0 H GLY A 52 -14.147 -5.941 -0.051 1.00 73.13 H new ATOM 0 HA2 GLY A 52 -14.237 -5.529 2.654 1.00 53.24 H new ATOM 0 HA3 GLY A 52 -12.680 -6.287 2.384 1.00 53.24 H new ATOM 876 N MET A 53 -12.107 -4.557 0.404 1.00 50.22 N ATOM 877 CA MET A 53 -11.515 -3.499 -0.272 1.00 31.41 C ATOM 878 C MET A 53 -10.809 -4.124 -1.424 1.00 53.22 C ATOM 879 O MET A 53 -9.725 -4.680 -1.268 1.00 74.32 O ATOM 880 CB MET A 53 -10.544 -2.735 0.597 1.00 32.11 C ATOM 881 CG MET A 53 -10.079 -1.505 -0.103 1.00 12.12 C ATOM 882 SD MET A 53 -8.954 -0.462 0.845 1.00 63.33 S ATOM 883 CE MET A 53 -7.498 -1.501 0.898 1.00 2.33 C ATOM 0 H MET A 53 -11.817 -5.467 0.046 1.00 50.22 H new ATOM 0 HA MET A 53 -12.261 -2.768 -0.584 1.00 31.41 H new ATOM 0 HB2 MET A 53 -11.022 -2.466 1.539 1.00 32.11 H new ATOM 0 HB3 MET A 53 -9.690 -3.367 0.842 1.00 32.11 H new ATOM 0 HG2 MET A 53 -9.584 -1.798 -1.029 1.00 12.12 H new ATOM 0 HG3 MET A 53 -10.951 -0.913 -0.381 1.00 12.12 H new ATOM 0 HE1 MET A 53 -7.092 -1.507 1.909 1.00 2.33 H new ATOM 0 HE2 MET A 53 -7.765 -2.517 0.609 1.00 2.33 H new ATOM 0 HE3 MET A 53 -6.749 -1.113 0.208 1.00 2.33 H new ATOM 893 N SER A 54 -11.457 -4.117 -2.541 1.00 71.51 N ATOM 894 CA SER A 54 -10.971 -4.798 -3.687 1.00 15.24 C ATOM 895 C SER A 54 -9.927 -3.949 -4.384 1.00 43.12 C ATOM 896 O SER A 54 -10.009 -2.729 -4.347 1.00 13.12 O ATOM 897 CB SER A 54 -12.160 -5.130 -4.558 1.00 54.21 C ATOM 898 OG SER A 54 -13.135 -5.831 -3.760 1.00 35.44 O ATOM 0 H SER A 54 -12.344 -3.634 -2.682 1.00 71.51 H new ATOM 0 HA SER A 54 -10.470 -5.731 -3.427 1.00 15.24 H new ATOM 0 HB2 SER A 54 -12.593 -4.218 -4.970 1.00 54.21 H new ATOM 0 HB3 SER A 54 -11.850 -5.745 -5.403 1.00 54.21 H new ATOM 0 HG SER A 54 -12.698 -6.213 -2.971 1.00 35.44 H new ATOM 904 N GLU A 55 -8.981 -4.603 -5.030 1.00 23.32 N ATOM 905 CA GLU A 55 -7.773 -4.020 -5.574 1.00 11.00 C ATOM 906 C GLU A 55 -7.956 -2.694 -6.339 1.00 41.25 C ATOM 907 O GLU A 55 -7.158 -1.766 -6.165 1.00 73.22 O ATOM 908 CB GLU A 55 -7.098 -5.053 -6.420 1.00 23.15 C ATOM 909 CG GLU A 55 -5.740 -4.672 -6.869 1.00 63.41 C ATOM 910 CD GLU A 55 -5.131 -5.739 -7.700 1.00 10.53 C ATOM 911 OE1 GLU A 55 -5.384 -5.765 -8.918 1.00 23.34 O ATOM 912 OE2 GLU A 55 -4.419 -6.601 -7.146 1.00 1.32 O ATOM 0 H GLU A 55 -9.039 -5.608 -5.197 1.00 23.32 H new ATOM 0 HA GLU A 55 -7.152 -3.732 -4.726 1.00 11.00 H new ATOM 0 HB2 GLU A 55 -7.035 -5.984 -5.857 1.00 23.15 H new ATOM 0 HB3 GLU A 55 -7.716 -5.251 -7.295 1.00 23.15 H new ATOM 0 HG2 GLU A 55 -5.790 -3.746 -7.441 1.00 63.41 H new ATOM 0 HG3 GLU A 55 -5.109 -4.478 -6.002 1.00 63.41 H new ATOM 919 N GLU A 56 -8.988 -2.581 -7.129 1.00 72.31 N ATOM 920 CA GLU A 56 -9.212 -1.373 -7.873 1.00 11.21 C ATOM 921 C GLU A 56 -9.621 -0.216 -6.949 1.00 3.31 C ATOM 922 O GLU A 56 -9.143 0.913 -7.112 1.00 70.54 O ATOM 923 CB GLU A 56 -10.222 -1.602 -8.981 1.00 34.21 C ATOM 924 CG GLU A 56 -10.513 -0.374 -9.800 1.00 53.30 C ATOM 925 CD GLU A 56 -11.378 -0.669 -10.975 1.00 31.34 C ATOM 926 OE1 GLU A 56 -12.553 -1.037 -10.786 1.00 5.33 O ATOM 927 OE2 GLU A 56 -10.888 -0.548 -12.126 1.00 4.53 O ATOM 0 H GLU A 56 -9.686 -3.310 -7.274 1.00 72.31 H new ATOM 0 HA GLU A 56 -8.272 -1.084 -8.344 1.00 11.21 H new ATOM 0 HB2 GLU A 56 -9.853 -2.388 -9.640 1.00 34.21 H new ATOM 0 HB3 GLU A 56 -11.152 -1.964 -8.543 1.00 34.21 H new ATOM 0 HG2 GLU A 56 -11.000 0.372 -9.172 1.00 53.30 H new ATOM 0 HG3 GLU A 56 -9.575 0.062 -10.143 1.00 53.30 H new ATOM 934 N GLU A 57 -10.445 -0.503 -5.948 1.00 4.13 N ATOM 935 CA GLU A 57 -10.859 0.526 -5.011 1.00 0.12 C ATOM 936 C GLU A 57 -9.702 0.795 -4.048 1.00 52.23 C ATOM 937 O GLU A 57 -9.557 1.896 -3.532 1.00 1.43 O ATOM 938 CB GLU A 57 -12.142 0.139 -4.260 1.00 53.55 C ATOM 939 CG GLU A 57 -11.898 -0.639 -3.012 1.00 72.31 C ATOM 940 CD GLU A 57 -13.151 -1.084 -2.322 1.00 14.21 C ATOM 941 OE1 GLU A 57 -13.769 -0.281 -1.596 1.00 13.32 O ATOM 942 OE2 GLU A 57 -13.542 -2.256 -2.484 1.00 62.41 O ATOM 0 H GLU A 57 -10.834 -1.429 -5.768 1.00 4.13 H new ATOM 0 HA GLU A 57 -11.099 1.437 -5.560 1.00 0.12 H new ATOM 0 HB2 GLU A 57 -12.693 1.046 -4.010 1.00 53.55 H new ATOM 0 HB3 GLU A 57 -12.778 -0.447 -4.924 1.00 53.55 H new ATOM 0 HG2 GLU A 57 -11.296 -1.515 -3.253 1.00 72.31 H new ATOM 0 HG3 GLU A 57 -11.312 -0.030 -2.324 1.00 72.31 H new ATOM 949 N VAL A 58 -8.868 -0.232 -3.851 1.00 31.44 N ATOM 950 CA VAL A 58 -7.675 -0.148 -3.069 1.00 31.12 C ATOM 951 C VAL A 58 -6.779 0.884 -3.674 1.00 43.42 C ATOM 952 O VAL A 58 -6.361 1.829 -3.007 1.00 33.43 O ATOM 953 CB VAL A 58 -6.945 -1.507 -3.075 1.00 25.13 C ATOM 954 CG1 VAL A 58 -5.546 -1.404 -2.535 1.00 25.45 C ATOM 955 CG2 VAL A 58 -7.717 -2.517 -2.298 1.00 23.11 C ATOM 0 H VAL A 58 -9.027 -1.157 -4.249 1.00 31.44 H new ATOM 0 HA VAL A 58 -7.930 0.119 -2.044 1.00 31.12 H new ATOM 0 HB VAL A 58 -6.874 -1.826 -4.115 1.00 25.13 H new ATOM 0 HG11 VAL A 58 -5.073 -2.386 -2.560 1.00 25.45 H new ATOM 0 HG12 VAL A 58 -4.970 -0.709 -3.146 1.00 25.45 H new ATOM 0 HG13 VAL A 58 -5.578 -1.043 -1.507 1.00 25.45 H new ATOM 0 HG21 VAL A 58 -7.188 -3.470 -2.313 1.00 23.11 H new ATOM 0 HG22 VAL A 58 -7.826 -2.178 -1.268 1.00 23.11 H new ATOM 0 HG23 VAL A 58 -8.703 -2.643 -2.744 1.00 23.11 H new ATOM 965 N PHE A 59 -6.536 0.723 -4.964 1.00 44.44 N ATOM 966 CA PHE A 59 -5.684 1.607 -5.693 1.00 13.51 C ATOM 967 C PHE A 59 -6.228 3.025 -5.641 1.00 4.32 C ATOM 968 O PHE A 59 -5.467 3.948 -5.607 1.00 12.34 O ATOM 969 CB PHE A 59 -5.488 1.133 -7.139 1.00 10.32 C ATOM 970 CG PHE A 59 -4.419 1.898 -7.883 1.00 41.22 C ATOM 971 CD1 PHE A 59 -3.098 1.486 -7.829 1.00 33.11 C ATOM 972 CD2 PHE A 59 -4.730 3.034 -8.616 1.00 4.34 C ATOM 973 CE1 PHE A 59 -2.111 2.187 -8.491 1.00 43.45 C ATOM 974 CE2 PHE A 59 -3.748 3.738 -9.275 1.00 53.34 C ATOM 975 CZ PHE A 59 -2.436 3.316 -9.215 1.00 43.01 C ATOM 0 H PHE A 59 -6.932 -0.032 -5.524 1.00 44.44 H new ATOM 0 HA PHE A 59 -4.702 1.601 -5.221 1.00 13.51 H new ATOM 0 HB2 PHE A 59 -5.229 0.074 -7.134 1.00 10.32 H new ATOM 0 HB3 PHE A 59 -6.432 1.228 -7.676 1.00 10.32 H new ATOM 0 HD1 PHE A 59 -2.837 0.605 -7.262 1.00 33.11 H new ATOM 0 HD2 PHE A 59 -5.755 3.370 -8.670 1.00 4.34 H new ATOM 0 HE1 PHE A 59 -1.085 1.853 -8.443 1.00 43.45 H new ATOM 0 HE2 PHE A 59 -4.005 4.622 -9.840 1.00 53.34 H new ATOM 0 HZ PHE A 59 -1.665 3.868 -9.733 1.00 43.01 H new ATOM 985 N THR A 60 -7.548 3.179 -5.579 1.00 34.02 N ATOM 986 CA THR A 60 -8.158 4.440 -5.460 1.00 44.44 C ATOM 987 C THR A 60 -7.715 5.141 -4.162 1.00 22.13 C ATOM 988 O THR A 60 -7.297 6.298 -4.188 1.00 30.44 O ATOM 989 CB THR A 60 -9.664 4.238 -5.442 1.00 51.53 C ATOM 990 OG1 THR A 60 -10.112 3.716 -6.700 1.00 63.42 O ATOM 991 CG2 THR A 60 -10.361 5.500 -5.115 1.00 52.31 C ATOM 0 H THR A 60 -8.207 2.401 -5.613 1.00 34.02 H new ATOM 0 HA THR A 60 -7.864 5.068 -6.301 1.00 44.44 H new ATOM 0 HB THR A 60 -9.905 3.513 -4.664 1.00 51.53 H new ATOM 0 HG1 THR A 60 -9.754 2.812 -6.825 1.00 63.42 H new ATOM 0 HG21 THR A 60 -11.438 5.330 -5.108 1.00 52.31 H new ATOM 0 HG22 THR A 60 -10.042 5.848 -4.132 1.00 52.31 H new ATOM 0 HG23 THR A 60 -10.118 6.254 -5.863 1.00 52.31 H new ATOM 999 N GLU A 61 -7.729 4.405 -3.058 1.00 41.43 N ATOM 1000 CA GLU A 61 -7.437 4.970 -1.769 1.00 42.02 C ATOM 1001 C GLU A 61 -5.974 5.340 -1.715 1.00 20.34 C ATOM 1002 O GLU A 61 -5.595 6.372 -1.176 1.00 2.31 O ATOM 1003 CB GLU A 61 -7.746 3.948 -0.700 1.00 11.33 C ATOM 1004 CG GLU A 61 -9.143 3.426 -0.805 1.00 21.54 C ATOM 1005 CD GLU A 61 -10.195 4.419 -0.454 1.00 21.14 C ATOM 1006 OE1 GLU A 61 -10.607 5.197 -1.326 1.00 74.23 O ATOM 1007 OE2 GLU A 61 -10.679 4.409 0.694 1.00 43.43 O ATOM 0 H GLU A 61 -7.943 3.408 -3.042 1.00 41.43 H new ATOM 0 HA GLU A 61 -8.043 5.861 -1.603 1.00 42.02 H new ATOM 0 HB2 GLU A 61 -7.043 3.119 -0.779 1.00 11.33 H new ATOM 0 HB3 GLU A 61 -7.601 4.397 0.283 1.00 11.33 H new ATOM 0 HG2 GLU A 61 -9.313 3.079 -1.824 1.00 21.54 H new ATOM 0 HG3 GLU A 61 -9.245 2.560 -0.152 1.00 21.54 H new ATOM 1014 N VAL A 62 -5.174 4.495 -2.337 1.00 44.11 N ATOM 1015 CA VAL A 62 -3.734 4.642 -2.399 1.00 72.24 C ATOM 1016 C VAL A 62 -3.330 5.764 -3.374 1.00 12.53 C ATOM 1017 O VAL A 62 -2.433 6.545 -3.092 1.00 52.04 O ATOM 1018 CB VAL A 62 -3.078 3.300 -2.800 1.00 22.23 C ATOM 1019 CG1 VAL A 62 -1.580 3.390 -2.770 1.00 4.12 C ATOM 1020 CG2 VAL A 62 -3.537 2.210 -1.866 1.00 53.02 C ATOM 0 H VAL A 62 -5.517 3.667 -2.825 1.00 44.11 H new ATOM 0 HA VAL A 62 -3.375 4.923 -1.409 1.00 72.24 H new ATOM 0 HB VAL A 62 -3.384 3.068 -3.820 1.00 22.23 H new ATOM 0 HG11 VAL A 62 -1.152 2.430 -3.057 1.00 4.12 H new ATOM 0 HG12 VAL A 62 -1.248 4.159 -3.468 1.00 4.12 H new ATOM 0 HG13 VAL A 62 -1.251 3.647 -1.763 1.00 4.12 H new ATOM 0 HG21 VAL A 62 -3.073 1.266 -2.152 1.00 53.02 H new ATOM 0 HG22 VAL A 62 -3.250 2.461 -0.845 1.00 53.02 H new ATOM 0 HG23 VAL A 62 -4.621 2.113 -1.925 1.00 53.02 H new ATOM 1030 N ALA A 63 -4.023 5.858 -4.492 1.00 53.14 N ATOM 1031 CA ALA A 63 -3.794 6.922 -5.486 1.00 55.10 C ATOM 1032 C ALA A 63 -4.164 8.262 -4.903 1.00 74.14 C ATOM 1033 O ALA A 63 -3.628 9.288 -5.280 1.00 44.44 O ATOM 1034 CB ALA A 63 -4.586 6.669 -6.756 1.00 35.01 C ATOM 0 H ALA A 63 -4.764 5.205 -4.749 1.00 53.14 H new ATOM 0 HA ALA A 63 -2.735 6.922 -5.744 1.00 55.10 H new ATOM 0 HB1 ALA A 63 -4.396 7.471 -7.469 1.00 35.01 H new ATOM 0 HB2 ALA A 63 -4.282 5.717 -7.191 1.00 35.01 H new ATOM 0 HB3 ALA A 63 -5.650 6.637 -6.521 1.00 35.01 H new ATOM 1040 N ASN A 64 -5.119 8.224 -4.023 1.00 50.10 N ATOM 1041 CA ASN A 64 -5.577 9.371 -3.265 1.00 45.23 C ATOM 1042 C ASN A 64 -4.630 9.685 -2.121 1.00 61.03 C ATOM 1043 O ASN A 64 -4.478 10.833 -1.729 1.00 1.20 O ATOM 1044 CB ASN A 64 -6.983 9.078 -2.770 1.00 23.04 C ATOM 1045 CG ASN A 64 -7.339 9.653 -1.416 1.00 44.55 C ATOM 1046 OD1 ASN A 64 -7.784 10.789 -1.299 1.00 41.52 O ATOM 1047 ND2 ASN A 64 -7.187 8.843 -0.391 1.00 72.05 N ATOM 0 H ASN A 64 -5.625 7.367 -3.798 1.00 50.10 H new ATOM 0 HA ASN A 64 -5.593 10.257 -3.899 1.00 45.23 H new ATOM 0 HB2 ASN A 64 -7.693 9.460 -3.504 1.00 23.04 H new ATOM 0 HB3 ASN A 64 -7.116 7.997 -2.731 1.00 23.04 H new ATOM 0 HD21 ASN A 64 -7.443 9.153 0.546 1.00 72.05 H new ATOM 0 HD22 ASN A 64 -6.813 7.905 -0.533 1.00 72.05 H new ATOM 1054 N LEU A 65 -4.001 8.671 -1.611 1.00 73.44 N ATOM 1055 CA LEU A 65 -3.081 8.784 -0.537 1.00 23.34 C ATOM 1056 C LEU A 65 -1.847 9.513 -1.091 1.00 30.14 C ATOM 1057 O LEU A 65 -1.443 10.564 -0.590 1.00 63.44 O ATOM 1058 CB LEU A 65 -2.719 7.362 -0.128 1.00 35.34 C ATOM 1059 CG LEU A 65 -2.193 7.064 1.244 1.00 13.31 C ATOM 1060 CD1 LEU A 65 -0.913 7.756 1.502 1.00 5.04 C ATOM 1061 CD2 LEU A 65 -3.182 7.344 2.322 1.00 72.33 C ATOM 0 H LEU A 65 -4.122 7.715 -1.946 1.00 73.44 H new ATOM 0 HA LEU A 65 -3.477 9.328 0.320 1.00 23.34 H new ATOM 0 HB2 LEU A 65 -3.612 6.753 -0.267 1.00 35.34 H new ATOM 0 HB3 LEU A 65 -1.975 7.004 -0.840 1.00 35.34 H new ATOM 0 HG LEU A 65 -2.006 5.990 1.265 1.00 13.31 H new ATOM 0 HD11 LEU A 65 -0.565 7.515 2.506 1.00 5.04 H new ATOM 0 HD12 LEU A 65 -0.171 7.432 0.773 1.00 5.04 H new ATOM 0 HD13 LEU A 65 -1.058 8.833 1.417 1.00 5.04 H new ATOM 0 HD21 LEU A 65 -2.741 7.108 3.291 1.00 72.33 H new ATOM 0 HD22 LEU A 65 -3.459 8.398 2.297 1.00 72.33 H new ATOM 0 HD23 LEU A 65 -4.070 6.731 2.169 1.00 72.33 H new ATOM 1073 N PHE A 66 -1.306 8.965 -2.169 1.00 14.55 N ATOM 1074 CA PHE A 66 -0.137 9.514 -2.814 1.00 73.13 C ATOM 1075 C PHE A 66 -0.564 10.213 -4.094 1.00 35.14 C ATOM 1076 O PHE A 66 -0.100 9.862 -5.185 1.00 42.32 O ATOM 1077 CB PHE A 66 0.867 8.408 -3.177 1.00 41.14 C ATOM 1078 CG PHE A 66 1.141 7.413 -2.091 1.00 51.12 C ATOM 1079 CD1 PHE A 66 1.789 7.784 -0.943 1.00 13.23 C ATOM 1080 CD2 PHE A 66 0.755 6.096 -2.236 1.00 13.34 C ATOM 1081 CE1 PHE A 66 2.046 6.865 0.042 1.00 11.13 C ATOM 1082 CE2 PHE A 66 1.011 5.175 -1.254 1.00 62.24 C ATOM 1083 CZ PHE A 66 1.655 5.557 -0.114 1.00 30.10 C ATOM 0 H PHE A 66 -1.671 8.125 -2.617 1.00 14.55 H new ATOM 0 HA PHE A 66 0.340 10.211 -2.125 1.00 73.13 H new ATOM 0 HB2 PHE A 66 0.494 7.874 -4.051 1.00 41.14 H new ATOM 0 HB3 PHE A 66 1.809 8.875 -3.466 1.00 41.14 H new ATOM 0 HD1 PHE A 66 2.101 8.810 -0.812 1.00 13.23 H new ATOM 0 HD2 PHE A 66 0.244 5.787 -3.136 1.00 13.34 H new ATOM 0 HE1 PHE A 66 2.557 7.170 0.943 1.00 11.13 H new ATOM 0 HE2 PHE A 66 0.703 4.148 -1.383 1.00 62.24 H new ATOM 0 HZ PHE A 66 1.857 4.834 0.663 1.00 30.10 H new ATOM 1093 N ARG A 67 -1.462 11.181 -3.967 1.00 51.55 N ATOM 1094 CA ARG A 67 -1.967 11.916 -5.127 1.00 31.13 C ATOM 1095 C ARG A 67 -0.825 12.568 -5.899 1.00 74.33 C ATOM 1096 O ARG A 67 -0.038 13.339 -5.330 1.00 35.54 O ATOM 1097 CB ARG A 67 -2.987 13.008 -4.742 1.00 41.24 C ATOM 1098 CG ARG A 67 -4.339 12.549 -4.266 1.00 5.30 C ATOM 1099 CD ARG A 67 -5.162 12.005 -5.422 1.00 32.03 C ATOM 1100 NE ARG A 67 -5.340 12.993 -6.489 1.00 30.51 N ATOM 1101 CZ ARG A 67 -5.767 12.718 -7.726 1.00 64.31 C ATOM 1102 NH1 ARG A 67 -6.107 11.472 -8.060 1.00 65.44 N ATOM 1103 NH2 ARG A 67 -5.869 13.693 -8.612 1.00 23.54 N ATOM 0 H ARG A 67 -1.857 11.478 -3.075 1.00 51.55 H new ATOM 0 HA ARG A 67 -2.471 11.179 -5.751 1.00 31.13 H new ATOM 0 HB2 ARG A 67 -2.544 13.623 -3.959 1.00 41.24 H new ATOM 0 HB3 ARG A 67 -3.135 13.653 -5.608 1.00 41.24 H new ATOM 0 HG2 ARG A 67 -4.219 11.778 -3.505 1.00 5.30 H new ATOM 0 HG3 ARG A 67 -4.866 13.380 -3.798 1.00 5.30 H new ATOM 0 HD2 ARG A 67 -4.674 11.119 -5.828 1.00 32.03 H new ATOM 0 HD3 ARG A 67 -6.139 11.691 -5.054 1.00 32.03 H new ATOM 0 HE ARG A 67 -5.121 13.965 -6.272 1.00 30.51 H new ATOM 0 HH11 ARG A 67 -6.042 10.723 -7.370 1.00 65.44 H new ATOM 0 HH12 ARG A 67 -6.432 11.268 -9.005 1.00 65.44 H new ATOM 0 HH21 ARG A 67 -5.623 14.648 -8.350 1.00 23.54 H new ATOM 0 HH22 ARG A 67 -6.194 13.491 -9.558 1.00 23.54 H new ATOM 1117 N GLY A 68 -0.708 12.212 -7.160 1.00 70.20 N ATOM 1118 CA GLY A 68 0.284 12.803 -8.024 1.00 23.23 C ATOM 1119 C GLY A 68 1.567 12.017 -8.085 1.00 64.54 C ATOM 1120 O GLY A 68 2.214 11.953 -9.130 1.00 54.03 O ATOM 0 H GLY A 68 -1.295 11.509 -7.610 1.00 70.20 H new ATOM 0 HA2 GLY A 68 -0.127 12.892 -9.030 1.00 23.23 H new ATOM 0 HA3 GLY A 68 0.501 13.813 -7.678 1.00 23.23 H new ATOM 1124 N GLN A 69 1.931 11.406 -6.980 1.00 43.25 N ATOM 1125 CA GLN A 69 3.148 10.633 -6.876 1.00 55.02 C ATOM 1126 C GLN A 69 2.966 9.257 -7.506 1.00 73.43 C ATOM 1127 O GLN A 69 2.922 8.233 -6.813 1.00 0.40 O ATOM 1128 CB GLN A 69 3.532 10.495 -5.417 1.00 44.11 C ATOM 1129 CG GLN A 69 3.803 11.814 -4.721 1.00 53.44 C ATOM 1130 CD GLN A 69 5.038 12.495 -5.216 1.00 22.22 C ATOM 1131 OE1 GLN A 69 6.132 12.243 -4.729 1.00 53.10 O ATOM 1132 NE2 GLN A 69 4.877 13.384 -6.123 1.00 43.24 N ATOM 0 H GLN A 69 1.385 11.432 -6.119 1.00 43.25 H new ATOM 0 HA GLN A 69 3.944 11.149 -7.413 1.00 55.02 H new ATOM 0 HB2 GLN A 69 2.732 9.976 -4.889 1.00 44.11 H new ATOM 0 HB3 GLN A 69 4.421 9.869 -5.344 1.00 44.11 H new ATOM 0 HG2 GLN A 69 2.949 12.476 -4.864 1.00 53.44 H new ATOM 0 HG3 GLN A 69 3.896 11.640 -3.649 1.00 53.44 H new ATOM 0 HE21 GLN A 69 3.947 13.563 -6.502 1.00 43.24 H new ATOM 0 HE22 GLN A 69 5.678 13.913 -6.466 1.00 43.24 H new ATOM 1141 N GLU A 70 2.872 9.236 -8.823 1.00 2.33 N ATOM 1142 CA GLU A 70 2.614 8.018 -9.564 1.00 50.54 C ATOM 1143 C GLU A 70 3.749 7.019 -9.457 1.00 51.50 C ATOM 1144 O GLU A 70 3.543 5.841 -9.673 1.00 1.11 O ATOM 1145 CB GLU A 70 2.242 8.308 -11.009 1.00 30.11 C ATOM 1146 CG GLU A 70 1.039 9.225 -11.133 1.00 73.25 C ATOM 1147 CD GLU A 70 0.656 9.501 -12.550 1.00 20.33 C ATOM 1148 OE1 GLU A 70 1.262 10.398 -13.179 1.00 15.13 O ATOM 1149 OE2 GLU A 70 -0.288 8.841 -13.058 1.00 73.34 O ATOM 0 H GLU A 70 2.973 10.065 -9.409 1.00 2.33 H new ATOM 0 HA GLU A 70 1.750 7.546 -9.097 1.00 50.54 H new ATOM 0 HB2 GLU A 70 3.094 8.763 -11.515 1.00 30.11 H new ATOM 0 HB3 GLU A 70 2.032 7.369 -11.521 1.00 30.11 H new ATOM 0 HG2 GLU A 70 0.192 8.775 -10.615 1.00 73.25 H new ATOM 0 HG3 GLU A 70 1.255 10.168 -10.631 1.00 73.25 H new ATOM 1156 N ASP A 71 4.931 7.488 -9.113 1.00 74.34 N ATOM 1157 CA ASP A 71 6.079 6.606 -8.848 1.00 60.12 C ATOM 1158 C ASP A 71 5.732 5.616 -7.737 1.00 20.32 C ATOM 1159 O ASP A 71 5.872 4.400 -7.896 1.00 20.11 O ATOM 1160 CB ASP A 71 7.298 7.441 -8.447 1.00 71.54 C ATOM 1161 CG ASP A 71 8.450 6.618 -7.900 1.00 54.43 C ATOM 1162 OD1 ASP A 71 9.134 5.898 -8.673 1.00 61.43 O ATOM 1163 OD2 ASP A 71 8.710 6.698 -6.697 1.00 34.20 O ATOM 0 H ASP A 71 5.135 8.482 -9.006 1.00 74.34 H new ATOM 0 HA ASP A 71 6.315 6.049 -9.755 1.00 60.12 H new ATOM 0 HB2 ASP A 71 7.644 8.002 -9.315 1.00 71.54 H new ATOM 0 HB3 ASP A 71 6.996 8.171 -7.696 1.00 71.54 H new ATOM 1168 N LEU A 72 5.183 6.149 -6.658 1.00 4.30 N ATOM 1169 CA LEU A 72 4.789 5.359 -5.502 1.00 24.12 C ATOM 1170 C LEU A 72 3.583 4.483 -5.846 1.00 74.44 C ATOM 1171 O LEU A 72 3.439 3.385 -5.343 1.00 52.42 O ATOM 1172 CB LEU A 72 4.426 6.292 -4.336 1.00 71.12 C ATOM 1173 CG LEU A 72 5.518 7.268 -3.865 1.00 21.10 C ATOM 1174 CD1 LEU A 72 4.980 8.179 -2.781 1.00 51.51 C ATOM 1175 CD2 LEU A 72 6.736 6.520 -3.354 1.00 1.34 C ATOM 0 H LEU A 72 4.997 7.147 -6.558 1.00 4.30 H new ATOM 0 HA LEU A 72 5.623 4.720 -5.213 1.00 24.12 H new ATOM 0 HB2 LEU A 72 3.552 6.874 -4.626 1.00 71.12 H new ATOM 0 HB3 LEU A 72 4.131 5.676 -3.487 1.00 71.12 H new ATOM 0 HG LEU A 72 5.819 7.871 -4.721 1.00 21.10 H new ATOM 0 HD11 LEU A 72 5.765 8.863 -2.458 1.00 51.51 H new ATOM 0 HD12 LEU A 72 4.138 8.750 -3.171 1.00 51.51 H new ATOM 0 HD13 LEU A 72 4.650 7.580 -1.933 1.00 51.51 H new ATOM 0 HD21 LEU A 72 7.492 7.235 -3.028 1.00 1.34 H new ATOM 0 HD22 LEU A 72 6.449 5.887 -2.514 1.00 1.34 H new ATOM 0 HD23 LEU A 72 7.144 5.900 -4.152 1.00 1.34 H new ATOM 1187 N LEU A 73 2.765 4.972 -6.758 1.00 33.11 N ATOM 1188 CA LEU A 73 1.509 4.305 -7.143 1.00 63.23 C ATOM 1189 C LEU A 73 1.780 3.135 -8.085 1.00 72.44 C ATOM 1190 O LEU A 73 1.116 2.103 -8.031 1.00 73.13 O ATOM 1191 CB LEU A 73 0.562 5.298 -7.847 1.00 33.21 C ATOM 1192 CG LEU A 73 0.227 6.599 -7.096 1.00 53.25 C ATOM 1193 CD1 LEU A 73 -0.695 7.481 -7.901 1.00 54.35 C ATOM 1194 CD2 LEU A 73 -0.387 6.319 -5.758 1.00 3.10 C ATOM 0 H LEU A 73 2.941 5.842 -7.260 1.00 33.11 H new ATOM 0 HA LEU A 73 1.042 3.934 -6.231 1.00 63.23 H new ATOM 0 HB2 LEU A 73 1.005 5.566 -8.806 1.00 33.21 H new ATOM 0 HB3 LEU A 73 -0.373 4.780 -8.061 1.00 33.21 H new ATOM 0 HG LEU A 73 1.170 7.124 -6.945 1.00 53.25 H new ATOM 0 HD11 LEU A 73 -0.910 8.390 -7.340 1.00 54.35 H new ATOM 0 HD12 LEU A 73 -0.217 7.742 -8.845 1.00 54.35 H new ATOM 0 HD13 LEU A 73 -1.625 6.949 -8.100 1.00 54.35 H new ATOM 0 HD21 LEU A 73 -0.610 7.260 -5.256 1.00 3.10 H new ATOM 0 HD22 LEU A 73 -1.308 5.752 -5.892 1.00 3.10 H new ATOM 0 HD23 LEU A 73 0.310 5.741 -5.151 1.00 3.10 H new ATOM 1206 N SER A 74 2.754 3.301 -8.937 1.00 40.31 N ATOM 1207 CA SER A 74 3.079 2.305 -9.921 1.00 64.40 C ATOM 1208 C SER A 74 3.782 1.115 -9.285 1.00 3.11 C ATOM 1209 O SER A 74 3.339 -0.027 -9.433 1.00 44.25 O ATOM 1210 CB SER A 74 3.939 2.926 -11.005 1.00 34.12 C ATOM 1211 OG SER A 74 3.284 4.056 -11.575 1.00 74.44 O ATOM 0 H SER A 74 3.345 4.131 -8.969 1.00 40.31 H new ATOM 0 HA SER A 74 2.155 1.937 -10.367 1.00 64.40 H new ATOM 0 HB2 SER A 74 4.900 3.227 -10.587 1.00 34.12 H new ATOM 0 HB3 SER A 74 4.146 2.189 -11.781 1.00 34.12 H new ATOM 0 HG SER A 74 3.515 4.860 -11.064 1.00 74.44 H new ATOM 1217 N GLU A 75 4.826 1.380 -8.512 1.00 74.11 N ATOM 1218 CA GLU A 75 5.601 0.306 -7.898 1.00 3.20 C ATOM 1219 C GLU A 75 4.825 -0.353 -6.763 1.00 32.34 C ATOM 1220 O GLU A 75 5.174 -1.446 -6.299 1.00 34.54 O ATOM 1221 CB GLU A 75 6.942 0.824 -7.426 1.00 54.34 C ATOM 1222 CG GLU A 75 7.751 1.472 -8.537 1.00 3.22 C ATOM 1223 CD GLU A 75 8.086 0.532 -9.677 1.00 62.02 C ATOM 1224 OE1 GLU A 75 7.281 0.410 -10.631 1.00 60.01 O ATOM 1225 OE2 GLU A 75 9.177 -0.075 -9.656 1.00 62.54 O ATOM 0 H GLU A 75 5.155 2.321 -8.295 1.00 74.11 H new ATOM 0 HA GLU A 75 5.783 -0.460 -8.652 1.00 3.20 H new ATOM 0 HB2 GLU A 75 6.785 1.549 -6.628 1.00 54.34 H new ATOM 0 HB3 GLU A 75 7.514 0.000 -7.000 1.00 54.34 H new ATOM 0 HG2 GLU A 75 7.194 2.322 -8.931 1.00 3.22 H new ATOM 0 HG3 GLU A 75 8.677 1.865 -8.118 1.00 3.22 H new ATOM 1232 N PHE A 76 3.751 0.309 -6.351 1.00 70.24 N ATOM 1233 CA PHE A 76 2.823 -0.208 -5.359 1.00 4.30 C ATOM 1234 C PHE A 76 2.253 -1.550 -5.825 1.00 43.34 C ATOM 1235 O PHE A 76 2.081 -2.464 -5.034 1.00 45.02 O ATOM 1236 CB PHE A 76 1.696 0.817 -5.133 1.00 14.55 C ATOM 1237 CG PHE A 76 0.590 0.374 -4.222 1.00 44.24 C ATOM 1238 CD1 PHE A 76 0.786 0.305 -2.857 1.00 11.11 C ATOM 1239 CD2 PHE A 76 -0.647 0.024 -4.740 1.00 72.42 C ATOM 1240 CE1 PHE A 76 -0.231 -0.104 -2.023 1.00 62.10 C ATOM 1241 CE2 PHE A 76 -1.668 -0.387 -3.912 1.00 73.05 C ATOM 1242 CZ PHE A 76 -1.460 -0.452 -2.548 1.00 2.30 C ATOM 0 H PHE A 76 3.499 1.233 -6.703 1.00 70.24 H new ATOM 0 HA PHE A 76 3.346 -0.370 -4.416 1.00 4.30 H new ATOM 0 HB2 PHE A 76 2.134 1.728 -4.726 1.00 14.55 H new ATOM 0 HB3 PHE A 76 1.265 1.075 -6.100 1.00 14.55 H new ATOM 0 HD1 PHE A 76 1.745 0.574 -2.440 1.00 11.11 H new ATOM 0 HD2 PHE A 76 -0.812 0.074 -5.806 1.00 72.42 H new ATOM 0 HE1 PHE A 76 -0.067 -0.153 -0.957 1.00 62.10 H new ATOM 0 HE2 PHE A 76 -2.627 -0.657 -4.328 1.00 73.05 H new ATOM 0 HZ PHE A 76 -2.257 -0.774 -1.894 1.00 2.30 H new ATOM 1252 N GLY A 77 2.036 -1.676 -7.129 1.00 1.42 N ATOM 1253 CA GLY A 77 1.486 -2.900 -7.681 1.00 1.05 C ATOM 1254 C GLY A 77 2.465 -4.066 -7.613 1.00 21.33 C ATOM 1255 O GLY A 77 2.052 -5.222 -7.606 1.00 4.31 O ATOM 0 H GLY A 77 2.232 -0.949 -7.817 1.00 1.42 H new ATOM 0 HA2 GLY A 77 0.577 -3.162 -7.140 1.00 1.05 H new ATOM 0 HA3 GLY A 77 1.201 -2.730 -8.719 1.00 1.05 H new ATOM 1259 N GLN A 78 3.759 -3.754 -7.544 1.00 50.44 N ATOM 1260 CA GLN A 78 4.797 -4.782 -7.439 1.00 41.14 C ATOM 1261 C GLN A 78 5.010 -5.155 -5.993 1.00 42.11 C ATOM 1262 O GLN A 78 5.429 -6.261 -5.679 1.00 14.41 O ATOM 1263 CB GLN A 78 6.119 -4.308 -8.015 1.00 31.41 C ATOM 1264 CG GLN A 78 6.075 -3.955 -9.472 1.00 1.34 C ATOM 1265 CD GLN A 78 7.436 -3.603 -10.011 1.00 62.03 C ATOM 1266 OE1 GLN A 78 8.465 -4.109 -9.541 1.00 4.13 O ATOM 1267 NE2 GLN A 78 7.465 -2.747 -10.979 1.00 64.45 N ATOM 0 H GLN A 78 4.115 -2.798 -7.559 1.00 50.44 H new ATOM 0 HA GLN A 78 4.455 -5.645 -8.010 1.00 41.14 H new ATOM 0 HB2 GLN A 78 6.453 -3.436 -7.453 1.00 31.41 H new ATOM 0 HB3 GLN A 78 6.866 -5.088 -7.866 1.00 31.41 H new ATOM 0 HG2 GLN A 78 5.668 -4.795 -10.036 1.00 1.34 H new ATOM 0 HG3 GLN A 78 5.398 -3.114 -9.620 1.00 1.34 H new ATOM 0 HE21 GLN A 78 6.595 -2.353 -11.338 1.00 64.45 H new ATOM 0 HE22 GLN A 78 8.358 -2.465 -11.384 1.00 64.45 H new ATOM 1276 N PHE A 79 4.746 -4.205 -5.114 1.00 60.41 N ATOM 1277 CA PHE A 79 4.839 -4.427 -3.681 1.00 32.13 C ATOM 1278 C PHE A 79 3.661 -5.293 -3.251 1.00 1.51 C ATOM 1279 O PHE A 79 3.697 -5.987 -2.233 1.00 24.22 O ATOM 1280 CB PHE A 79 4.839 -3.076 -2.946 1.00 72.23 C ATOM 1281 CG PHE A 79 5.043 -3.175 -1.462 1.00 72.43 C ATOM 1282 CD1 PHE A 79 6.229 -3.666 -0.951 1.00 33.23 C ATOM 1283 CD2 PHE A 79 4.051 -2.776 -0.577 1.00 33.10 C ATOM 1284 CE1 PHE A 79 6.428 -3.761 0.407 1.00 3.13 C ATOM 1285 CE2 PHE A 79 4.249 -2.865 0.788 1.00 3.21 C ATOM 1286 CZ PHE A 79 5.445 -3.360 1.278 1.00 42.43 C ATOM 0 H PHE A 79 4.462 -3.260 -5.372 1.00 60.41 H new ATOM 0 HA PHE A 79 5.767 -4.940 -3.430 1.00 32.13 H new ATOM 0 HB2 PHE A 79 5.624 -2.448 -3.367 1.00 72.23 H new ATOM 0 HB3 PHE A 79 3.891 -2.573 -3.137 1.00 72.23 H new ATOM 0 HD1 PHE A 79 7.011 -3.980 -1.627 1.00 33.23 H new ATOM 0 HD2 PHE A 79 3.116 -2.393 -0.958 1.00 33.10 H new ATOM 0 HE1 PHE A 79 7.360 -4.152 0.789 1.00 3.13 H new ATOM 0 HE2 PHE A 79 3.473 -2.549 1.470 1.00 3.21 H new ATOM 0 HZ PHE A 79 5.605 -3.431 2.344 1.00 42.43 H new ATOM 1296 N LEU A 80 2.641 -5.243 -4.056 1.00 10.44 N ATOM 1297 CA LEU A 80 1.451 -6.016 -3.885 1.00 35.34 C ATOM 1298 C LEU A 80 1.566 -7.343 -4.646 1.00 31.42 C ATOM 1299 O LEU A 80 2.606 -7.609 -5.265 1.00 34.13 O ATOM 1300 CB LEU A 80 0.258 -5.206 -4.377 1.00 50.21 C ATOM 1301 CG LEU A 80 -0.601 -4.597 -3.290 1.00 13.32 C ATOM 1302 CD1 LEU A 80 0.145 -3.539 -2.511 1.00 1.43 C ATOM 1303 CD2 LEU A 80 -1.884 -4.081 -3.880 1.00 0.40 C ATOM 0 H LEU A 80 2.616 -4.640 -4.879 1.00 10.44 H new ATOM 0 HA LEU A 80 1.311 -6.249 -2.829 1.00 35.34 H new ATOM 0 HB2 LEU A 80 0.623 -4.405 -5.020 1.00 50.21 H new ATOM 0 HB3 LEU A 80 -0.368 -5.850 -4.994 1.00 50.21 H new ATOM 0 HG LEU A 80 -0.853 -5.374 -2.569 1.00 13.32 H new ATOM 0 HD11 LEU A 80 -0.507 -3.127 -1.741 1.00 1.43 H new ATOM 0 HD12 LEU A 80 1.024 -3.983 -2.043 1.00 1.43 H new ATOM 0 HD13 LEU A 80 0.457 -2.742 -3.186 1.00 1.43 H new ATOM 0 HD21 LEU A 80 -2.497 -3.644 -3.092 1.00 0.40 H new ATOM 0 HD22 LEU A 80 -1.660 -3.321 -4.629 1.00 0.40 H new ATOM 0 HD23 LEU A 80 -2.426 -4.903 -4.348 1.00 0.40 H new ATOM 1315 N PRO A 81 0.543 -8.235 -4.566 1.00 42.22 N ATOM 1316 CA PRO A 81 0.542 -9.483 -5.324 1.00 4.22 C ATOM 1317 C PRO A 81 0.539 -9.252 -6.852 1.00 21.33 C ATOM 1318 O PRO A 81 -0.500 -8.983 -7.465 1.00 52.23 O ATOM 1319 CB PRO A 81 -0.746 -10.182 -4.880 1.00 53.23 C ATOM 1320 CG PRO A 81 -1.594 -9.087 -4.324 1.00 10.33 C ATOM 1321 CD PRO A 81 -0.656 -8.137 -3.693 1.00 1.11 C ATOM 0 HA PRO A 81 1.442 -10.068 -5.132 1.00 4.22 H new ATOM 0 HB2 PRO A 81 -1.237 -10.678 -5.717 1.00 53.23 H new ATOM 0 HB3 PRO A 81 -0.544 -10.947 -4.130 1.00 53.23 H new ATOM 0 HG2 PRO A 81 -2.173 -8.602 -5.110 1.00 10.33 H new ATOM 0 HG3 PRO A 81 -2.307 -9.475 -3.597 1.00 10.33 H new ATOM 0 HD2 PRO A 81 -1.059 -7.124 -3.670 1.00 1.11 H new ATOM 0 HD3 PRO A 81 -0.431 -8.414 -2.663 1.00 1.11 H new ATOM 1329 N GLU A 82 1.707 -9.334 -7.435 1.00 3.10 N ATOM 1330 CA GLU A 82 1.911 -9.170 -8.870 1.00 70.11 C ATOM 1331 C GLU A 82 1.442 -10.450 -9.577 1.00 61.33 C ATOM 1332 O GLU A 82 1.029 -10.432 -10.736 1.00 44.22 O ATOM 1333 CB GLU A 82 3.415 -8.934 -9.122 1.00 22.20 C ATOM 1334 CG GLU A 82 3.836 -8.698 -10.572 1.00 73.45 C ATOM 1335 CD GLU A 82 3.378 -7.380 -11.146 1.00 44.41 C ATOM 1336 OE1 GLU A 82 4.075 -6.368 -10.970 1.00 4.31 O ATOM 1337 OE2 GLU A 82 2.353 -7.342 -11.845 1.00 22.24 O ATOM 0 H GLU A 82 2.569 -9.521 -6.922 1.00 3.10 H new ATOM 0 HA GLU A 82 1.345 -8.322 -9.255 1.00 70.11 H new ATOM 0 HB2 GLU A 82 3.729 -8.073 -8.532 1.00 22.20 H new ATOM 0 HB3 GLU A 82 3.963 -9.797 -8.744 1.00 22.20 H new ATOM 0 HG2 GLU A 82 4.923 -8.750 -10.635 1.00 73.45 H new ATOM 0 HG3 GLU A 82 3.442 -9.506 -11.188 1.00 73.45 H new ATOM 1344 N ALA A 83 1.456 -11.548 -8.815 1.00 3.55 N ATOM 1345 CA ALA A 83 1.101 -12.886 -9.290 1.00 32.43 C ATOM 1346 C ALA A 83 -0.328 -12.987 -9.837 1.00 72.23 C ATOM 1347 O ALA A 83 -0.641 -13.928 -10.564 1.00 23.14 O ATOM 1348 CB ALA A 83 1.312 -13.908 -8.185 1.00 11.11 C ATOM 0 H ALA A 83 1.720 -11.529 -7.830 1.00 3.55 H new ATOM 0 HA ALA A 83 1.765 -13.098 -10.128 1.00 32.43 H new ATOM 0 HB1 ALA A 83 1.044 -14.899 -8.550 1.00 11.11 H new ATOM 0 HB2 ALA A 83 2.359 -13.904 -7.880 1.00 11.11 H new ATOM 0 HB3 ALA A 83 0.684 -13.655 -7.331 1.00 11.11 H new ATOM 1354 N LYS A 84 -1.197 -12.039 -9.479 1.00 11.32 N ATOM 1355 CA LYS A 84 -2.569 -12.040 -9.985 1.00 12.23 C ATOM 1356 C LYS A 84 -2.588 -11.762 -11.476 1.00 11.34 C ATOM 1357 O LYS A 84 -3.399 -12.308 -12.212 1.00 41.32 O ATOM 1358 CB LYS A 84 -3.407 -10.958 -9.337 1.00 1.55 C ATOM 1359 CG LYS A 84 -3.556 -11.017 -7.843 1.00 40.33 C ATOM 1360 CD LYS A 84 -4.513 -9.923 -7.435 1.00 70.23 C ATOM 1361 CE LYS A 84 -4.671 -9.777 -5.943 1.00 33.23 C ATOM 1362 NZ LYS A 84 -5.449 -8.563 -5.631 1.00 23.21 N ATOM 0 H LYS A 84 -0.977 -11.269 -8.847 1.00 11.32 H new ATOM 0 HA LYS A 84 -2.977 -13.025 -9.756 1.00 12.23 H new ATOM 0 HB2 LYS A 84 -2.974 -9.992 -9.597 1.00 1.55 H new ATOM 0 HB3 LYS A 84 -4.403 -10.990 -9.779 1.00 1.55 H new ATOM 0 HG2 LYS A 84 -3.935 -11.991 -7.534 1.00 40.33 H new ATOM 0 HG3 LYS A 84 -2.590 -10.882 -7.356 1.00 40.33 H new ATOM 0 HD2 LYS A 84 -4.165 -8.976 -7.848 1.00 70.23 H new ATOM 0 HD3 LYS A 84 -5.489 -10.124 -7.876 1.00 70.23 H new ATOM 0 HE2 LYS A 84 -5.173 -10.654 -5.535 1.00 33.23 H new ATOM 0 HE3 LYS A 84 -3.691 -9.722 -5.470 1.00 33.23 H new ATOM 0 HZ1 LYS A 84 -5.038 -8.091 -4.801 1.00 23.21 H new ATOM 0 HZ2 LYS A 84 -5.424 -7.916 -6.445 1.00 23.21 H new ATOM 0 HZ3 LYS A 84 -6.435 -8.825 -5.427 1.00 23.21 H new ATOM 1376 N ARG A 85 -1.689 -10.910 -11.910 1.00 2.05 N ATOM 1377 CA ARG A 85 -1.656 -10.460 -13.297 1.00 32.43 C ATOM 1378 C ARG A 85 -1.002 -11.506 -14.194 1.00 23.40 C ATOM 1379 O ARG A 85 -0.241 -12.368 -13.701 1.00 70.35 O ATOM 1380 CB ARG A 85 -0.893 -9.149 -13.397 1.00 22.22 C ATOM 1381 CG ARG A 85 -1.470 -7.995 -12.590 1.00 1.25 C ATOM 1382 CD ARG A 85 -0.560 -6.793 -12.709 1.00 44.41 C ATOM 1383 NE ARG A 85 -1.016 -5.619 -11.958 1.00 32.20 N ATOM 1384 CZ ARG A 85 -0.183 -4.696 -11.442 1.00 71.01 C ATOM 1385 NH1 ARG A 85 1.118 -4.965 -11.306 1.00 24.04 N ATOM 1386 NH2 ARG A 85 -0.657 -3.538 -11.001 1.00 70.15 N ATOM 0 H ARG A 85 -0.960 -10.506 -11.322 1.00 2.05 H new ATOM 0 HA ARG A 85 -2.682 -10.311 -13.633 1.00 32.43 H new ATOM 0 HB2 ARG A 85 0.133 -9.320 -13.072 1.00 22.22 H new ATOM 0 HB3 ARG A 85 -0.850 -8.852 -14.445 1.00 22.22 H new ATOM 0 HG2 ARG A 85 -2.468 -7.747 -12.952 1.00 1.25 H new ATOM 0 HG3 ARG A 85 -1.573 -8.284 -11.544 1.00 1.25 H new ATOM 0 HD2 ARG A 85 0.436 -7.069 -12.361 1.00 44.41 H new ATOM 0 HD3 ARG A 85 -0.467 -6.524 -13.761 1.00 44.41 H new ATOM 0 HE ARG A 85 -2.019 -5.495 -11.819 1.00 32.20 H new ATOM 0 HH11 ARG A 85 1.484 -5.873 -11.594 1.00 24.04 H new ATOM 0 HH12 ARG A 85 1.746 -4.263 -10.915 1.00 24.04 H new ATOM 0 HH21 ARG A 85 -1.657 -3.344 -11.052 1.00 70.15 H new ATOM 0 HH22 ARG A 85 -0.021 -2.842 -10.611 1.00 70.15 H new TER 1400 ARG A 85