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= 0.85 K(o=1.2,f=-2.8) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 168:sc= 0.349 (180deg=-0.272) USER MOD Single : A 1 GLU N :NH3+ -141:sc= -0.589 (180deg=-2.18!) 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= 0.115 X(o=0.11,f=0) USER MOD Single : A 9 ASN : amide:sc= 0.298 K(o=0.3,f=-0.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 23:sc= -0.147 USER MOD Single : A 15 ASN : amide:sc= -0.0031 K(o=-0.0031,f=-0.6) USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= 2.35 (180deg=2.18) 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=-0.0026) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0798 USER MOD Single : A 30 SER OG : rot 89:sc= 1.27 USER MOD Single : A 37 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.66! C(o=-1.7!,f=-6.5!) USER MOD Single : A 42 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.18) 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=7.35e-05 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -157:sc= -5.4! (180deg=-7.46!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0255 K(o=-0.025,f=-4.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.34) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc=-0.00734 (180deg=-0.0716) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 13.277 -17.073 2.640 1.00 52.33 N ATOM 2 CA GLU A 1 13.205 -15.797 3.280 1.00 71.13 C ATOM 3 C GLU A 1 12.687 -15.945 4.688 1.00 13.25 C ATOM 4 O GLU A 1 11.472 -15.953 4.921 1.00 14.44 O ATOM 5 CB GLU A 1 12.344 -14.801 2.485 1.00 64.22 C ATOM 6 CG GLU A 1 12.968 -14.273 1.194 1.00 74.10 C ATOM 7 CD GLU A 1 13.345 -15.340 0.188 1.00 31.21 C ATOM 8 OE1 GLU A 1 12.457 -15.878 -0.494 1.00 42.32 O ATOM 9 OE2 GLU A 1 14.555 -15.628 0.034 1.00 45.41 O ATOM 0 H1 GLU A 1 14.137 -17.121 2.057 1.00 52.33 H new ATOM 0 H2 GLU A 1 13.305 -17.822 3.361 1.00 52.33 H new ATOM 0 H3 GLU A 1 12.441 -17.206 2.035 1.00 52.33 H new ATOM 0 HA GLU A 1 14.216 -15.390 3.316 1.00 71.13 H new ATOM 0 HB2 GLU A 1 11.397 -15.282 2.240 1.00 64.22 H new ATOM 0 HB3 GLU A 1 12.113 -13.953 3.129 1.00 64.22 H new ATOM 0 HG2 GLU A 1 12.268 -13.582 0.725 1.00 74.10 H new ATOM 0 HG3 GLU A 1 13.860 -13.700 1.446 1.00 74.10 H new ATOM 16 N SER A 2 13.597 -16.163 5.601 1.00 24.12 N ATOM 17 CA SER A 2 13.262 -16.219 6.991 1.00 24.33 C ATOM 18 C SER A 2 13.133 -14.780 7.475 1.00 14.51 C ATOM 19 O SER A 2 12.213 -14.440 8.224 1.00 0.40 O ATOM 20 CB SER A 2 14.337 -16.997 7.774 1.00 73.23 C ATOM 21 OG SER A 2 13.978 -17.174 9.141 1.00 60.20 O ATOM 0 H SER A 2 14.586 -16.306 5.398 1.00 24.12 H new ATOM 0 HA SER A 2 12.323 -16.749 7.152 1.00 24.33 H new ATOM 0 HB2 SER A 2 14.489 -17.972 7.310 1.00 73.23 H new ATOM 0 HB3 SER A 2 15.286 -16.464 7.714 1.00 73.23 H new ATOM 0 HG SER A 2 14.684 -17.673 9.603 1.00 60.20 H new ATOM 27 N ASP A 3 14.022 -13.932 6.982 1.00 22.30 N ATOM 28 CA ASP A 3 13.969 -12.507 7.245 1.00 1.22 C ATOM 29 C ASP A 3 12.979 -11.930 6.267 1.00 51.52 C ATOM 30 O ASP A 3 12.784 -12.496 5.185 1.00 13.11 O ATOM 31 CB ASP A 3 15.340 -11.861 7.001 1.00 31.31 C ATOM 32 CG ASP A 3 15.404 -10.395 7.413 1.00 14.41 C ATOM 33 OD1 ASP A 3 15.026 -9.517 6.623 1.00 31.24 O ATOM 34 OD2 ASP A 3 15.849 -10.101 8.547 1.00 55.22 O ATOM 0 H ASP A 3 14.801 -14.215 6.388 1.00 22.30 H new ATOM 0 HA ASP A 3 13.684 -12.320 8.280 1.00 1.22 H new ATOM 0 HB2 ASP A 3 16.098 -12.418 7.551 1.00 31.31 H new ATOM 0 HB3 ASP A 3 15.589 -11.944 5.943 1.00 31.31 H new ATOM 39 N SER A 4 12.350 -10.855 6.610 1.00 63.42 N ATOM 40 CA SER A 4 11.408 -10.268 5.722 1.00 32.22 C ATOM 41 C SER A 4 12.116 -9.373 4.692 1.00 20.43 C ATOM 42 O SER A 4 12.226 -8.145 4.848 1.00 43.40 O ATOM 43 CB SER A 4 10.332 -9.556 6.507 1.00 5.01 C ATOM 44 OG SER A 4 9.755 -10.450 7.449 1.00 43.04 O ATOM 0 H SER A 4 12.472 -10.367 7.498 1.00 63.42 H new ATOM 0 HA SER A 4 10.909 -11.047 5.145 1.00 32.22 H new ATOM 0 HB2 SER A 4 10.755 -8.693 7.022 1.00 5.01 H new ATOM 0 HB3 SER A 4 9.564 -9.179 5.831 1.00 5.01 H new ATOM 0 HG SER A 4 9.059 -9.985 7.958 1.00 43.04 H new ATOM 50 N VAL A 5 12.640 -10.024 3.668 1.00 64.54 N ATOM 51 CA VAL A 5 13.392 -9.393 2.615 1.00 40.23 C ATOM 52 C VAL A 5 12.499 -8.480 1.811 1.00 33.33 C ATOM 53 O VAL A 5 12.830 -7.313 1.592 1.00 1.43 O ATOM 54 CB VAL A 5 14.024 -10.451 1.688 1.00 61.31 C ATOM 55 CG1 VAL A 5 14.818 -9.792 0.585 1.00 60.32 C ATOM 56 CG2 VAL A 5 14.904 -11.396 2.486 1.00 5.24 C ATOM 0 H VAL A 5 12.548 -11.033 3.550 1.00 64.54 H new ATOM 0 HA VAL A 5 14.189 -8.805 3.070 1.00 40.23 H new ATOM 0 HB VAL A 5 13.221 -11.028 1.230 1.00 61.31 H new ATOM 0 HG11 VAL A 5 15.255 -10.558 -0.056 1.00 60.32 H new ATOM 0 HG12 VAL A 5 14.160 -9.155 -0.006 1.00 60.32 H new ATOM 0 HG13 VAL A 5 15.613 -9.187 1.021 1.00 60.32 H new ATOM 0 HG21 VAL A 5 15.343 -12.137 1.817 1.00 5.24 H new ATOM 0 HG22 VAL A 5 15.699 -10.830 2.972 1.00 5.24 H new ATOM 0 HG23 VAL A 5 14.303 -11.901 3.243 1.00 5.24 H new ATOM 66 N GLU A 6 11.346 -9.002 1.429 1.00 34.22 N ATOM 67 CA GLU A 6 10.356 -8.257 0.661 1.00 53.20 C ATOM 68 C GLU A 6 9.873 -7.067 1.433 1.00 43.41 C ATOM 69 O GLU A 6 9.620 -6.020 0.871 1.00 74.41 O ATOM 70 CB GLU A 6 9.201 -9.152 0.301 1.00 33.14 C ATOM 71 CG GLU A 6 9.565 -10.191 -0.710 1.00 73.33 C ATOM 72 CD GLU A 6 9.842 -9.580 -2.054 1.00 12.32 C ATOM 73 OE1 GLU A 6 8.881 -9.360 -2.809 1.00 44.23 O ATOM 74 OE2 GLU A 6 11.010 -9.291 -2.376 1.00 20.13 O ATOM 0 H GLU A 6 11.066 -9.959 1.643 1.00 34.22 H new ATOM 0 HA GLU A 6 10.825 -7.901 -0.256 1.00 53.20 H new ATOM 0 HB2 GLU A 6 8.833 -9.642 1.202 1.00 33.14 H new ATOM 0 HB3 GLU A 6 8.384 -8.544 -0.088 1.00 33.14 H new ATOM 0 HG2 GLU A 6 10.444 -10.738 -0.370 1.00 73.33 H new ATOM 0 HG3 GLU A 6 8.754 -10.914 -0.798 1.00 73.33 H new ATOM 81 N PHE A 7 9.779 -7.239 2.725 1.00 72.34 N ATOM 82 CA PHE A 7 9.420 -6.181 3.627 1.00 41.43 C ATOM 83 C PHE A 7 10.462 -5.102 3.581 1.00 24.10 C ATOM 84 O PHE A 7 10.127 -3.976 3.437 1.00 35.40 O ATOM 85 CB PHE A 7 9.263 -6.741 5.020 1.00 73.53 C ATOM 86 CG PHE A 7 8.946 -5.750 6.083 1.00 1.32 C ATOM 87 CD1 PHE A 7 7.683 -5.230 6.194 1.00 41.55 C ATOM 88 CD2 PHE A 7 9.914 -5.359 6.977 1.00 12.14 C ATOM 89 CE1 PHE A 7 7.376 -4.325 7.185 1.00 3.20 C ATOM 90 CE2 PHE A 7 9.627 -4.458 7.978 1.00 71.21 C ATOM 91 CZ PHE A 7 8.349 -3.937 8.083 1.00 33.23 C ATOM 0 H PHE A 7 9.953 -8.132 3.186 1.00 72.34 H new ATOM 0 HA PHE A 7 8.469 -5.741 3.328 1.00 41.43 H new ATOM 0 HB2 PHE A 7 8.473 -7.492 5.003 1.00 73.53 H new ATOM 0 HB3 PHE A 7 10.186 -7.254 5.291 1.00 73.53 H new ATOM 0 HD1 PHE A 7 6.918 -5.534 5.495 1.00 41.55 H new ATOM 0 HD2 PHE A 7 10.912 -5.763 6.893 1.00 12.14 H new ATOM 0 HE1 PHE A 7 6.377 -3.920 7.259 1.00 3.20 H new ATOM 0 HE2 PHE A 7 10.394 -4.160 8.677 1.00 71.21 H new ATOM 0 HZ PHE A 7 8.114 -3.230 8.865 1.00 33.23 H new ATOM 101 N ASN A 8 11.734 -5.470 3.614 1.00 52.41 N ATOM 102 CA ASN A 8 12.813 -4.508 3.558 1.00 51.21 C ATOM 103 C ASN A 8 12.811 -3.783 2.202 1.00 22.44 C ATOM 104 O ASN A 8 13.096 -2.584 2.121 1.00 20.13 O ATOM 105 CB ASN A 8 14.142 -5.216 3.854 1.00 2.41 C ATOM 106 CG ASN A 8 15.265 -4.790 2.960 1.00 70.42 C ATOM 107 OD1 ASN A 8 15.989 -3.831 3.236 1.00 64.31 O ATOM 108 ND2 ASN A 8 15.416 -5.507 1.888 1.00 11.43 N ATOM 0 H ASN A 8 12.042 -6.440 3.680 1.00 52.41 H new ATOM 0 HA ASN A 8 12.674 -3.741 4.320 1.00 51.21 H new ATOM 0 HB2 ASN A 8 14.422 -5.025 4.890 1.00 2.41 H new ATOM 0 HB3 ASN A 8 14.000 -6.292 3.756 1.00 2.41 H new ATOM 0 HD21 ASN A 8 16.161 -5.286 1.228 1.00 11.43 H new ATOM 0 HD22 ASN A 8 14.789 -6.291 1.706 1.00 11.43 H new ATOM 115 N ASN A 9 12.431 -4.512 1.163 1.00 64.11 N ATOM 116 CA ASN A 9 12.299 -3.951 -0.188 1.00 74.14 C ATOM 117 C ASN A 9 11.134 -2.983 -0.210 1.00 22.22 C ATOM 118 O ASN A 9 11.180 -1.918 -0.834 1.00 71.35 O ATOM 119 CB ASN A 9 12.066 -5.061 -1.240 1.00 54.41 C ATOM 120 CG ASN A 9 13.226 -6.032 -1.362 1.00 22.50 C ATOM 121 OD1 ASN A 9 14.373 -5.681 -1.113 1.00 21.11 O ATOM 122 ND2 ASN A 9 12.948 -7.257 -1.748 1.00 15.55 N ATOM 0 H ASN A 9 12.205 -5.505 1.224 1.00 64.11 H new ATOM 0 HA ASN A 9 13.226 -3.436 -0.440 1.00 74.14 H new ATOM 0 HB2 ASN A 9 11.165 -5.615 -0.978 1.00 54.41 H new ATOM 0 HB3 ASN A 9 11.886 -4.599 -2.211 1.00 54.41 H new ATOM 0 HD21 ASN A 9 13.697 -7.943 -1.847 1.00 15.55 H new ATOM 0 HD22 ASN A 9 11.984 -7.522 -1.949 1.00 15.55 H new ATOM 129 N ALA A 10 10.092 -3.357 0.495 1.00 1.51 N ATOM 130 CA ALA A 10 8.918 -2.542 0.663 1.00 41.13 C ATOM 131 C ALA A 10 9.248 -1.320 1.495 1.00 74.42 C ATOM 132 O ALA A 10 8.711 -0.260 1.264 1.00 62.14 O ATOM 133 CB ALA A 10 7.802 -3.343 1.318 1.00 34.24 C ATOM 0 H ALA A 10 10.038 -4.255 0.976 1.00 1.51 H new ATOM 0 HA ALA A 10 8.576 -2.216 -0.319 1.00 41.13 H new ATOM 0 HB1 ALA A 10 6.922 -2.711 1.437 1.00 34.24 H new ATOM 0 HB2 ALA A 10 7.552 -4.199 0.691 1.00 34.24 H new ATOM 0 HB3 ALA A 10 8.132 -3.694 2.296 1.00 34.24 H new ATOM 139 N ILE A 11 10.161 -1.467 2.452 1.00 34.13 N ATOM 140 CA ILE A 11 10.573 -0.359 3.297 1.00 54.54 C ATOM 141 C ILE A 11 11.241 0.719 2.467 1.00 33.05 C ATOM 142 O ILE A 11 11.116 1.877 2.766 1.00 12.54 O ATOM 143 CB ILE A 11 11.501 -0.768 4.481 1.00 43.30 C ATOM 144 CG1 ILE A 11 10.870 -1.881 5.314 1.00 12.53 C ATOM 145 CG2 ILE A 11 11.828 0.430 5.379 1.00 22.42 C ATOM 146 CD1 ILE A 11 9.392 -1.728 5.627 1.00 14.20 C ATOM 0 H ILE A 11 10.629 -2.349 2.659 1.00 34.13 H new ATOM 0 HA ILE A 11 9.657 0.023 3.747 1.00 54.54 H new ATOM 0 HB ILE A 11 12.430 -1.136 4.046 1.00 43.30 H new ATOM 0 HG12 ILE A 11 11.013 -2.825 4.789 1.00 12.53 H new ATOM 0 HG13 ILE A 11 11.414 -1.955 6.256 1.00 12.53 H new ATOM 0 HG21 ILE A 11 12.477 0.108 6.194 1.00 22.42 H new ATOM 0 HG22 ILE A 11 12.335 1.196 4.793 1.00 22.42 H new ATOM 0 HG23 ILE A 11 10.905 0.839 5.790 1.00 22.42 H new ATOM 0 HD11 ILE A 11 9.056 -2.577 6.223 1.00 14.20 H new ATOM 0 HD12 ILE A 11 9.232 -0.806 6.187 1.00 14.20 H new ATOM 0 HD13 ILE A 11 8.825 -1.691 4.697 1.00 14.20 H new ATOM 158 N SER A 12 11.918 0.328 1.398 1.00 32.43 N ATOM 159 CA SER A 12 12.535 1.294 0.502 1.00 54.33 C ATOM 160 C SER A 12 11.439 2.173 -0.148 1.00 74.11 C ATOM 161 O SER A 12 11.618 3.378 -0.346 1.00 4.31 O ATOM 162 CB SER A 12 13.357 0.555 -0.553 1.00 65.14 C ATOM 163 OG SER A 12 14.266 -0.350 0.072 1.00 13.43 O ATOM 0 H SER A 12 12.054 -0.647 1.131 1.00 32.43 H new ATOM 0 HA SER A 12 13.205 1.948 1.060 1.00 54.33 H new ATOM 0 HB2 SER A 12 12.694 0.009 -1.224 1.00 65.14 H new ATOM 0 HB3 SER A 12 13.908 1.272 -1.162 1.00 65.14 H new ATOM 0 HG SER A 12 14.785 -0.818 -0.615 1.00 13.43 H new ATOM 169 N TYR A 13 10.298 1.559 -0.409 1.00 40.04 N ATOM 170 CA TYR A 13 9.138 2.247 -0.943 1.00 13.42 C ATOM 171 C TYR A 13 8.486 3.075 0.163 1.00 32.32 C ATOM 172 O TYR A 13 8.217 4.261 -0.007 1.00 72.10 O ATOM 173 CB TYR A 13 8.140 1.217 -1.513 1.00 11.20 C ATOM 174 CG TYR A 13 6.813 1.789 -1.954 1.00 51.31 C ATOM 175 CD1 TYR A 13 6.745 2.734 -2.956 1.00 33.43 C ATOM 176 CD2 TYR A 13 5.624 1.388 -1.348 1.00 34.44 C ATOM 177 CE1 TYR A 13 5.542 3.265 -3.349 1.00 33.25 C ATOM 178 CE2 TYR A 13 4.411 1.919 -1.740 1.00 34.24 C ATOM 179 CZ TYR A 13 4.380 2.859 -2.744 1.00 71.35 C ATOM 180 OH TYR A 13 3.185 3.406 -3.138 1.00 41.33 O ATOM 0 H TYR A 13 10.151 0.562 -0.255 1.00 40.04 H new ATOM 0 HA TYR A 13 9.443 2.915 -1.748 1.00 13.42 H new ATOM 0 HB2 TYR A 13 8.603 0.717 -2.363 1.00 11.20 H new ATOM 0 HB3 TYR A 13 7.956 0.454 -0.756 1.00 11.20 H new ATOM 0 HD1 TYR A 13 7.653 3.062 -3.439 1.00 33.43 H new ATOM 0 HD2 TYR A 13 5.652 0.650 -0.560 1.00 34.44 H new ATOM 0 HE1 TYR A 13 5.510 4.004 -4.136 1.00 33.25 H new ATOM 0 HE2 TYR A 13 3.496 1.600 -1.263 1.00 34.24 H new ATOM 0 HH TYR A 13 3.271 3.759 -4.048 1.00 41.33 H new ATOM 190 N VAL A 14 8.277 2.436 1.300 1.00 3.20 N ATOM 191 CA VAL A 14 7.659 3.055 2.454 1.00 34.10 C ATOM 192 C VAL A 14 8.451 4.268 2.939 1.00 71.54 C ATOM 193 O VAL A 14 7.874 5.296 3.198 1.00 24.21 O ATOM 194 CB VAL A 14 7.455 2.042 3.617 1.00 32.30 C ATOM 195 CG1 VAL A 14 6.908 2.734 4.845 1.00 2.24 C ATOM 196 CG2 VAL A 14 6.513 0.922 3.198 1.00 1.13 C ATOM 0 H VAL A 14 8.536 1.460 1.448 1.00 3.20 H new ATOM 0 HA VAL A 14 6.676 3.399 2.130 1.00 34.10 H new ATOM 0 HB VAL A 14 8.428 1.615 3.858 1.00 32.30 H new ATOM 0 HG11 VAL A 14 6.774 2.005 5.644 1.00 2.24 H new ATOM 0 HG12 VAL A 14 7.607 3.504 5.170 1.00 2.24 H new ATOM 0 HG13 VAL A 14 5.948 3.192 4.607 1.00 2.24 H new ATOM 0 HG21 VAL A 14 6.385 0.225 4.026 1.00 1.13 H new ATOM 0 HG22 VAL A 14 5.545 1.343 2.925 1.00 1.13 H new ATOM 0 HG23 VAL A 14 6.933 0.394 2.342 1.00 1.13 H new ATOM 206 N ASN A 15 9.770 4.143 3.014 1.00 60.35 N ATOM 207 CA ASN A 15 10.656 5.187 3.468 1.00 33.52 C ATOM 208 C ASN A 15 10.506 6.429 2.605 1.00 32.21 C ATOM 209 O ASN A 15 10.530 7.560 3.095 1.00 62.32 O ATOM 210 CB ASN A 15 12.062 4.679 3.328 1.00 14.30 C ATOM 211 CG ASN A 15 13.067 5.603 3.883 1.00 55.11 C ATOM 212 OD1 ASN A 15 12.833 6.293 4.872 1.00 44.11 O ATOM 213 ND2 ASN A 15 14.178 5.635 3.273 1.00 52.43 N ATOM 0 H ASN A 15 10.258 3.287 2.752 1.00 60.35 H new ATOM 0 HA ASN A 15 10.420 5.446 4.500 1.00 33.52 H new ATOM 0 HB2 ASN A 15 12.146 3.715 3.831 1.00 14.30 H new ATOM 0 HB3 ASN A 15 12.277 4.508 2.273 1.00 14.30 H new ATOM 0 HD21 ASN A 15 14.922 6.252 3.600 1.00 52.43 H new ATOM 0 HD22 ASN A 15 14.328 5.044 2.455 1.00 52.43 H new ATOM 220 N LYS A 16 10.336 6.190 1.326 1.00 64.53 N ATOM 221 CA LYS A 16 10.162 7.225 0.356 1.00 3.51 C ATOM 222 C LYS A 16 8.856 7.958 0.655 1.00 74.30 C ATOM 223 O LYS A 16 8.803 9.181 0.624 1.00 20.35 O ATOM 224 CB LYS A 16 10.151 6.576 -1.016 1.00 62.54 C ATOM 225 CG LYS A 16 10.089 7.494 -2.196 1.00 72.33 C ATOM 226 CD LYS A 16 10.185 6.658 -3.452 1.00 15.23 C ATOM 227 CE LYS A 16 10.054 7.480 -4.704 1.00 2.52 C ATOM 228 NZ LYS A 16 10.214 6.645 -5.907 1.00 54.42 N ATOM 0 H LYS A 16 10.316 5.250 0.931 1.00 64.53 H new ATOM 0 HA LYS A 16 10.969 7.957 0.388 1.00 3.51 H new ATOM 0 HB2 LYS A 16 11.048 5.963 -1.109 1.00 62.54 H new ATOM 0 HB3 LYS A 16 9.297 5.901 -1.066 1.00 62.54 H new ATOM 0 HG2 LYS A 16 9.158 8.061 -2.187 1.00 72.33 H new ATOM 0 HG3 LYS A 16 10.904 8.217 -2.158 1.00 72.33 H new ATOM 0 HD2 LYS A 16 11.141 6.135 -3.464 1.00 15.23 H new ATOM 0 HD3 LYS A 16 9.405 5.897 -3.438 1.00 15.23 H new ATOM 0 HE2 LYS A 16 9.079 7.967 -4.723 1.00 2.52 H new ATOM 0 HE3 LYS A 16 10.805 8.270 -4.704 1.00 2.52 H new ATOM 0 HZ1 LYS A 16 9.577 6.987 -6.654 1.00 54.42 H new ATOM 0 HZ2 LYS A 16 11.198 6.700 -6.239 1.00 54.42 H new ATOM 0 HZ3 LYS A 16 9.980 5.658 -5.678 1.00 54.42 H new ATOM 242 N ILE A 17 7.830 7.193 1.012 1.00 32.32 N ATOM 243 CA ILE A 17 6.553 7.731 1.417 1.00 45.12 C ATOM 244 C ILE A 17 6.728 8.549 2.702 1.00 14.22 C ATOM 245 O ILE A 17 6.274 9.692 2.779 1.00 61.34 O ATOM 246 CB ILE A 17 5.541 6.595 1.704 1.00 14.21 C ATOM 247 CG1 ILE A 17 5.312 5.716 0.472 1.00 11.54 C ATOM 248 CG2 ILE A 17 4.237 7.164 2.210 1.00 33.42 C ATOM 249 CD1 ILE A 17 4.387 4.546 0.736 1.00 25.44 C ATOM 0 H ILE A 17 7.870 6.174 1.026 1.00 32.32 H new ATOM 0 HA ILE A 17 6.177 8.356 0.607 1.00 45.12 H new ATOM 0 HB ILE A 17 5.967 5.959 2.480 1.00 14.21 H new ATOM 0 HG12 ILE A 17 4.895 6.326 -0.329 1.00 11.54 H new ATOM 0 HG13 ILE A 17 6.272 5.339 0.119 1.00 11.54 H new ATOM 0 HG21 ILE A 17 3.537 6.352 2.407 1.00 33.42 H new ATOM 0 HG22 ILE A 17 4.415 7.720 3.130 1.00 33.42 H new ATOM 0 HG23 ILE A 17 3.816 7.832 1.459 1.00 33.42 H new ATOM 0 HD11 ILE A 17 4.267 3.964 -0.178 1.00 25.44 H new ATOM 0 HD12 ILE A 17 4.813 3.914 1.516 1.00 25.44 H new ATOM 0 HD13 ILE A 17 3.415 4.917 1.060 1.00 25.44 H new ATOM 261 N LYS A 18 7.415 7.944 3.693 1.00 13.32 N ATOM 262 CA LYS A 18 7.659 8.548 4.992 1.00 73.42 C ATOM 263 C LYS A 18 8.232 9.947 4.835 1.00 51.51 C ATOM 264 O LYS A 18 7.744 10.866 5.433 1.00 64.35 O ATOM 265 CB LYS A 18 8.652 7.710 5.822 1.00 24.11 C ATOM 266 CG LYS A 18 8.261 6.263 5.992 1.00 22.43 C ATOM 267 CD LYS A 18 9.103 5.528 6.989 1.00 74.31 C ATOM 268 CE LYS A 18 8.631 5.888 8.342 1.00 63.22 C ATOM 269 NZ LYS A 18 9.300 5.142 9.414 1.00 20.13 N ATOM 0 H LYS A 18 7.815 7.011 3.599 1.00 13.32 H new ATOM 0 HA LYS A 18 6.700 8.592 5.508 1.00 73.42 H new ATOM 0 HB2 LYS A 18 9.632 7.755 5.346 1.00 24.11 H new ATOM 0 HB3 LYS A 18 8.755 8.163 6.808 1.00 24.11 H new ATOM 0 HG2 LYS A 18 7.217 6.211 6.302 1.00 22.43 H new ATOM 0 HG3 LYS A 18 8.332 5.760 5.028 1.00 22.43 H new ATOM 0 HD2 LYS A 18 9.026 4.452 6.833 1.00 74.31 H new ATOM 0 HD3 LYS A 18 10.153 5.793 6.869 1.00 74.31 H new ATOM 0 HE2 LYS A 18 8.787 6.955 8.501 1.00 63.22 H new ATOM 0 HE3 LYS A 18 7.557 5.711 8.403 1.00 63.22 H new ATOM 0 HZ1 LYS A 18 8.922 5.443 10.335 1.00 20.13 H new ATOM 0 HZ2 LYS A 18 9.131 4.124 9.286 1.00 20.13 H new ATOM 0 HZ3 LYS A 18 10.322 5.329 9.382 1.00 20.13 H new ATOM 283 N THR A 19 9.253 10.065 4.001 1.00 10.44 N ATOM 284 CA THR A 19 9.946 11.292 3.714 1.00 31.35 C ATOM 285 C THR A 19 9.084 12.273 2.879 1.00 0.10 C ATOM 286 O THR A 19 9.009 13.469 3.180 1.00 34.41 O ATOM 287 CB THR A 19 11.226 10.907 2.942 1.00 64.53 C ATOM 288 OG1 THR A 19 12.231 10.357 3.801 1.00 1.52 O ATOM 289 CG2 THR A 19 11.759 12.016 2.084 1.00 24.42 C ATOM 0 H THR A 19 9.631 9.268 3.488 1.00 10.44 H new ATOM 0 HA THR A 19 10.177 11.812 4.644 1.00 31.35 H new ATOM 0 HB THR A 19 10.928 10.117 2.252 1.00 64.53 H new ATOM 0 HG1 THR A 19 13.023 10.126 3.272 1.00 1.52 H new ATOM 0 HG21 THR A 19 12.659 11.678 1.570 1.00 24.42 H new ATOM 0 HG22 THR A 19 11.006 12.301 1.349 1.00 24.42 H new ATOM 0 HG23 THR A 19 12.000 12.876 2.709 1.00 24.42 H new ATOM 297 N ARG A 20 8.431 11.762 1.863 1.00 44.31 N ATOM 298 CA ARG A 20 7.650 12.584 0.951 1.00 22.25 C ATOM 299 C ARG A 20 6.429 13.179 1.597 1.00 11.12 C ATOM 300 O ARG A 20 5.868 14.168 1.119 1.00 71.45 O ATOM 301 CB ARG A 20 7.295 11.781 -0.278 1.00 55.33 C ATOM 302 CG ARG A 20 8.435 11.709 -1.285 1.00 14.12 C ATOM 303 CD ARG A 20 8.686 13.071 -1.912 1.00 71.53 C ATOM 304 NE ARG A 20 7.459 13.639 -2.482 1.00 22.03 N ATOM 305 CZ ARG A 20 7.114 14.934 -2.431 1.00 73.43 C ATOM 306 NH1 ARG A 20 7.969 15.831 -1.963 1.00 64.12 N ATOM 307 NH2 ARG A 20 5.927 15.333 -2.898 1.00 54.35 N ATOM 0 H ARG A 20 8.422 10.767 1.640 1.00 44.31 H new ATOM 0 HA ARG A 20 8.268 13.433 0.657 1.00 22.25 H new ATOM 0 HB2 ARG A 20 7.017 10.771 0.022 1.00 55.33 H new ATOM 0 HB3 ARG A 20 6.421 12.224 -0.756 1.00 55.33 H new ATOM 0 HG2 ARG A 20 9.341 11.358 -0.791 1.00 14.12 H new ATOM 0 HG3 ARG A 20 8.195 10.984 -2.063 1.00 14.12 H new ATOM 0 HD2 ARG A 20 9.086 13.750 -1.159 1.00 71.53 H new ATOM 0 HD3 ARG A 20 9.441 12.979 -2.692 1.00 71.53 H new ATOM 0 HE ARG A 20 6.819 13.000 -2.953 1.00 22.03 H new ATOM 0 HH11 ARG A 20 8.891 15.537 -1.641 1.00 64.12 H new ATOM 0 HH12 ARG A 20 7.705 16.816 -1.925 1.00 64.12 H new ATOM 0 HH21 ARG A 20 5.280 14.652 -3.295 1.00 54.35 H new ATOM 0 HH22 ARG A 20 5.668 16.319 -2.857 1.00 54.35 H new ATOM 321 N PHE A 21 6.027 12.585 2.668 1.00 72.40 N ATOM 322 CA PHE A 21 4.901 13.020 3.423 1.00 62.25 C ATOM 323 C PHE A 21 5.312 13.107 4.875 1.00 50.40 C ATOM 324 O PHE A 21 4.527 12.859 5.781 1.00 31.22 O ATOM 325 CB PHE A 21 3.751 12.035 3.226 1.00 41.02 C ATOM 326 CG PHE A 21 3.326 11.905 1.783 1.00 45.11 C ATOM 327 CD1 PHE A 21 2.441 12.805 1.229 1.00 13.15 C ATOM 328 CD2 PHE A 21 3.809 10.878 0.992 1.00 13.31 C ATOM 329 CE1 PHE A 21 2.044 12.689 -0.084 1.00 65.24 C ATOM 330 CE2 PHE A 21 3.417 10.753 -0.313 1.00 22.13 C ATOM 331 CZ PHE A 21 2.529 11.662 -0.855 1.00 52.11 C ATOM 0 H PHE A 21 6.485 11.760 3.054 1.00 72.40 H new ATOM 0 HA PHE A 21 4.561 14.001 3.092 1.00 62.25 H new ATOM 0 HB2 PHE A 21 4.050 11.056 3.600 1.00 41.02 H new ATOM 0 HB3 PHE A 21 2.898 12.357 3.823 1.00 41.02 H new ATOM 0 HD1 PHE A 21 2.054 13.612 1.833 1.00 13.15 H new ATOM 0 HD2 PHE A 21 4.505 10.165 1.410 1.00 13.31 H new ATOM 0 HE1 PHE A 21 1.353 13.404 -0.506 1.00 65.24 H new ATOM 0 HE2 PHE A 21 3.801 9.945 -0.918 1.00 22.13 H new ATOM 0 HZ PHE A 21 2.217 11.565 -1.884 1.00 52.11 H new ATOM 341 N LEU A 22 6.558 13.508 5.085 1.00 23.31 N ATOM 342 CA LEU A 22 7.163 13.588 6.400 1.00 24.14 C ATOM 343 C LEU A 22 6.485 14.657 7.246 1.00 24.41 C ATOM 344 O LEU A 22 6.418 14.559 8.471 1.00 21.33 O ATOM 345 CB LEU A 22 8.665 13.865 6.246 1.00 5.54 C ATOM 346 CG LEU A 22 9.633 12.883 6.876 1.00 71.42 C ATOM 347 CD1 LEU A 22 11.069 13.338 6.693 1.00 51.33 C ATOM 348 CD2 LEU A 22 9.318 12.697 8.307 1.00 44.23 C ATOM 0 H LEU A 22 7.184 13.791 4.331 1.00 23.31 H new ATOM 0 HA LEU A 22 7.030 12.638 6.918 1.00 24.14 H new ATOM 0 HB2 LEU A 22 8.888 13.918 5.180 1.00 5.54 H new ATOM 0 HB3 LEU A 22 8.868 14.851 6.664 1.00 5.54 H new ATOM 0 HG LEU A 22 9.523 11.924 6.371 1.00 71.42 H new ATOM 0 HD11 LEU A 22 11.741 12.615 7.155 1.00 51.33 H new ATOM 0 HD12 LEU A 22 11.294 13.415 5.629 1.00 51.33 H new ATOM 0 HD13 LEU A 22 11.205 14.312 7.164 1.00 51.33 H new ATOM 0 HD21 LEU A 22 10.022 11.989 8.745 1.00 44.23 H new ATOM 0 HD22 LEU A 22 9.396 13.653 8.824 1.00 44.23 H new ATOM 0 HD23 LEU A 22 8.304 12.311 8.409 1.00 44.23 H new ATOM 360 N ASP A 23 5.952 15.653 6.577 1.00 62.54 N ATOM 361 CA ASP A 23 5.254 16.745 7.240 1.00 11.54 C ATOM 362 C ASP A 23 3.786 16.380 7.473 1.00 32.54 C ATOM 363 O ASP A 23 3.050 17.080 8.175 1.00 24.45 O ATOM 364 CB ASP A 23 5.373 18.034 6.399 1.00 10.53 C ATOM 365 CG ASP A 23 4.689 19.236 7.026 1.00 64.03 C ATOM 366 OD1 ASP A 23 5.029 19.605 8.169 1.00 31.24 O ATOM 367 OD2 ASP A 23 3.787 19.842 6.394 1.00 13.32 O ATOM 0 H ASP A 23 5.986 15.735 5.561 1.00 62.54 H new ATOM 0 HA ASP A 23 5.715 16.921 8.212 1.00 11.54 H new ATOM 0 HB2 ASP A 23 6.428 18.264 6.250 1.00 10.53 H new ATOM 0 HB3 ASP A 23 4.943 17.855 5.413 1.00 10.53 H new ATOM 372 N HIS A 24 3.366 15.258 6.926 1.00 34.43 N ATOM 373 CA HIS A 24 1.987 14.853 7.022 1.00 25.32 C ATOM 374 C HIS A 24 1.829 13.414 7.472 1.00 45.30 C ATOM 375 O HIS A 24 1.692 12.501 6.642 1.00 22.20 O ATOM 376 CB HIS A 24 1.246 15.063 5.716 1.00 21.13 C ATOM 377 CG HIS A 24 1.034 16.467 5.328 1.00 0.10 C ATOM 378 ND1 HIS A 24 0.365 17.398 6.086 1.00 1.23 N ATOM 379 CD2 HIS A 24 1.413 17.083 4.225 1.00 51.25 C ATOM 380 CE1 HIS A 24 0.363 18.541 5.412 1.00 74.43 C ATOM 381 NE2 HIS A 24 0.995 18.407 4.259 1.00 54.14 N ATOM 0 H HIS A 24 3.964 14.612 6.410 1.00 34.43 H new ATOM 0 HA HIS A 24 1.546 15.494 7.786 1.00 25.32 H new ATOM 0 HB2 HIS A 24 1.799 14.564 4.920 1.00 21.13 H new ATOM 0 HB3 HIS A 24 0.275 14.573 5.786 1.00 21.13 H new ATOM 0 HD2 HIS A 24 1.965 16.626 3.417 1.00 51.25 H new ATOM 0 HE1 HIS A 24 -0.093 19.457 5.759 1.00 74.43 H new ATOM 0 HE2 HIS A 24 1.144 19.122 3.547 1.00 54.14 H new ATOM 389 N PRO A 25 1.847 13.173 8.790 1.00 22.52 N ATOM 390 CA PRO A 25 1.653 11.840 9.347 1.00 11.12 C ATOM 391 C PRO A 25 0.278 11.294 8.990 1.00 70.23 C ATOM 392 O PRO A 25 0.107 10.094 8.830 1.00 43.23 O ATOM 393 CB PRO A 25 1.777 12.047 10.860 1.00 14.44 C ATOM 394 CG PRO A 25 2.509 13.330 11.009 1.00 62.24 C ATOM 395 CD PRO A 25 2.097 14.168 9.843 1.00 43.34 C ATOM 0 HA PRO A 25 2.373 11.119 8.960 1.00 11.12 H new ATOM 0 HB2 PRO A 25 0.797 12.094 11.334 1.00 14.44 H new ATOM 0 HB3 PRO A 25 2.319 11.226 11.328 1.00 14.44 H new ATOM 0 HG2 PRO A 25 2.256 13.818 11.950 1.00 62.24 H new ATOM 0 HG3 PRO A 25 3.587 13.168 11.013 1.00 62.24 H new ATOM 0 HD2 PRO A 25 1.205 14.755 10.063 1.00 43.34 H new ATOM 0 HD3 PRO A 25 2.879 14.871 9.556 1.00 43.34 H new ATOM 403 N GLU A 26 -0.682 12.207 8.809 1.00 41.12 N ATOM 404 CA GLU A 26 -2.050 11.879 8.446 1.00 23.50 C ATOM 405 C GLU A 26 -2.105 11.026 7.168 1.00 43.45 C ATOM 406 O GLU A 26 -2.890 10.093 7.073 1.00 14.32 O ATOM 407 CB GLU A 26 -2.857 13.169 8.244 1.00 43.42 C ATOM 408 CG GLU A 26 -2.383 14.009 7.068 1.00 41.14 C ATOM 409 CD GLU A 26 -3.140 15.294 6.880 1.00 42.21 C ATOM 410 OE1 GLU A 26 -2.808 16.291 7.542 1.00 20.31 O ATOM 411 OE2 GLU A 26 -4.080 15.340 6.057 1.00 41.21 O ATOM 0 H GLU A 26 -0.520 13.209 8.914 1.00 41.12 H new ATOM 0 HA GLU A 26 -2.483 11.296 9.259 1.00 23.50 H new ATOM 0 HB2 GLU A 26 -3.906 12.912 8.096 1.00 43.42 H new ATOM 0 HB3 GLU A 26 -2.801 13.768 9.153 1.00 43.42 H new ATOM 0 HG2 GLU A 26 -1.327 14.240 7.204 1.00 41.14 H new ATOM 0 HG3 GLU A 26 -2.465 13.416 6.157 1.00 41.14 H new ATOM 418 N ILE A 27 -1.231 11.337 6.228 1.00 21.51 N ATOM 419 CA ILE A 27 -1.183 10.683 4.947 1.00 15.35 C ATOM 420 C ILE A 27 -0.598 9.307 5.098 1.00 20.35 C ATOM 421 O ILE A 27 -1.129 8.329 4.574 1.00 11.51 O ATOM 422 CB ILE A 27 -0.361 11.538 3.962 1.00 52.25 C ATOM 423 CG1 ILE A 27 -1.094 12.869 3.758 1.00 72.34 C ATOM 424 CG2 ILE A 27 -0.106 10.815 2.635 1.00 33.13 C ATOM 425 CD1 ILE A 27 -0.453 13.794 2.776 1.00 60.15 C ATOM 0 H ILE A 27 -0.525 12.065 6.342 1.00 21.51 H new ATOM 0 HA ILE A 27 -2.192 10.577 4.548 1.00 15.35 H new ATOM 0 HB ILE A 27 0.627 11.723 4.383 1.00 52.25 H new ATOM 0 HG12 ILE A 27 -2.112 12.660 3.428 1.00 72.34 H new ATOM 0 HG13 ILE A 27 -1.169 13.377 4.719 1.00 72.34 H new ATOM 0 HG21 ILE A 27 0.477 11.459 1.976 1.00 33.13 H new ATOM 0 HG22 ILE A 27 0.445 9.894 2.823 1.00 33.13 H new ATOM 0 HG23 ILE A 27 -1.058 10.578 2.161 1.00 33.13 H new ATOM 0 HD11 ILE A 27 -1.042 14.708 2.699 1.00 60.15 H new ATOM 0 HD12 ILE A 27 0.555 14.039 3.111 1.00 60.15 H new ATOM 0 HD13 ILE A 27 -0.403 13.311 1.800 1.00 60.15 H new ATOM 437 N TYR A 28 0.452 9.240 5.880 1.00 41.22 N ATOM 438 CA TYR A 28 1.138 8.005 6.160 1.00 41.31 C ATOM 439 C TYR A 28 0.162 7.049 6.850 1.00 3.33 C ATOM 440 O TYR A 28 -0.070 5.939 6.393 1.00 43.22 O ATOM 441 CB TYR A 28 2.321 8.299 7.089 1.00 11.50 C ATOM 442 CG TYR A 28 3.302 7.167 7.223 1.00 51.25 C ATOM 443 CD1 TYR A 28 4.146 6.828 6.174 1.00 72.00 C ATOM 444 CD2 TYR A 28 3.371 6.423 8.386 1.00 12.44 C ATOM 445 CE1 TYR A 28 5.021 5.785 6.284 1.00 71.01 C ATOM 446 CE2 TYR A 28 4.257 5.376 8.510 1.00 12.41 C ATOM 447 CZ TYR A 28 5.077 5.058 7.462 1.00 4.14 C ATOM 448 OH TYR A 28 5.960 4.011 7.588 1.00 5.31 O ATOM 0 H TYR A 28 0.858 10.052 6.345 1.00 41.22 H new ATOM 0 HA TYR A 28 1.503 7.551 5.239 1.00 41.31 H new ATOM 0 HB2 TYR A 28 2.848 9.178 6.719 1.00 11.50 H new ATOM 0 HB3 TYR A 28 1.937 8.550 8.078 1.00 11.50 H new ATOM 0 HD1 TYR A 28 4.110 7.398 5.257 1.00 72.00 H new ATOM 0 HD2 TYR A 28 2.719 6.667 9.212 1.00 12.44 H new ATOM 0 HE1 TYR A 28 5.666 5.528 5.457 1.00 71.01 H new ATOM 0 HE2 TYR A 28 4.304 4.810 9.428 1.00 12.41 H new ATOM 0 HH TYR A 28 5.869 3.611 8.478 1.00 5.31 H new ATOM 458 N ARG A 29 -0.463 7.549 7.900 1.00 24.11 N ATOM 459 CA ARG A 29 -1.395 6.789 8.719 1.00 12.03 C ATOM 460 C ARG A 29 -2.607 6.304 7.932 1.00 61.13 C ATOM 461 O ARG A 29 -2.986 5.126 8.027 1.00 62.11 O ATOM 462 CB ARG A 29 -1.849 7.625 9.889 1.00 55.43 C ATOM 463 CG ARG A 29 -0.755 7.914 10.881 1.00 44.34 C ATOM 464 CD ARG A 29 -1.125 9.093 11.716 1.00 15.10 C ATOM 465 NE ARG A 29 -0.092 9.438 12.697 1.00 21.34 N ATOM 466 CZ ARG A 29 -0.083 10.555 13.441 1.00 21.52 C ATOM 467 NH1 ARG A 29 -1.056 11.444 13.321 1.00 41.13 N ATOM 468 NH2 ARG A 29 0.904 10.774 14.295 1.00 61.14 N ATOM 0 H ARG A 29 -0.336 8.511 8.215 1.00 24.11 H new ATOM 0 HA ARG A 29 -0.864 5.905 9.072 1.00 12.03 H new ATOM 0 HB2 ARG A 29 -2.250 8.568 9.518 1.00 55.43 H new ATOM 0 HB3 ARG A 29 -2.664 7.111 10.398 1.00 55.43 H new ATOM 0 HG2 ARG A 29 -0.590 7.044 11.517 1.00 44.34 H new ATOM 0 HG3 ARG A 29 0.181 8.108 10.357 1.00 44.34 H new ATOM 0 HD2 ARG A 29 -1.305 9.950 11.067 1.00 15.10 H new ATOM 0 HD3 ARG A 29 -2.060 8.885 12.237 1.00 15.10 H new ATOM 0 HE ARG A 29 0.677 8.780 12.824 1.00 21.34 H new ATOM 0 HH11 ARG A 29 -1.817 11.282 12.661 1.00 41.13 H new ATOM 0 HH12 ARG A 29 -1.045 12.292 13.888 1.00 41.13 H new ATOM 0 HH21 ARG A 29 1.658 10.094 14.388 1.00 61.14 H new ATOM 0 HH22 ARG A 29 0.910 11.623 14.860 1.00 61.14 H new ATOM 482 N SER A 30 -3.198 7.199 7.148 1.00 12.32 N ATOM 483 CA SER A 30 -4.373 6.871 6.351 1.00 1.45 C ATOM 484 C SER A 30 -4.043 5.855 5.279 1.00 24.32 C ATOM 485 O SER A 30 -4.891 5.107 4.843 1.00 34.11 O ATOM 486 CB SER A 30 -4.991 8.126 5.751 1.00 1.51 C ATOM 487 OG SER A 30 -5.326 9.066 6.781 1.00 23.23 O ATOM 0 H SER A 30 -2.880 8.163 7.048 1.00 12.32 H new ATOM 0 HA SER A 30 -5.111 6.420 7.014 1.00 1.45 H new ATOM 0 HB2 SER A 30 -4.293 8.581 5.049 1.00 1.51 H new ATOM 0 HB3 SER A 30 -5.885 7.863 5.186 1.00 1.51 H new ATOM 0 HG SER A 30 -4.559 9.652 6.951 1.00 23.23 H new ATOM 493 N PHE A 31 -2.832 5.862 4.820 1.00 73.21 N ATOM 494 CA PHE A 31 -2.417 4.855 3.906 1.00 54.31 C ATOM 495 C PHE A 31 -2.194 3.517 4.611 1.00 22.42 C ATOM 496 O PHE A 31 -2.611 2.462 4.115 1.00 52.51 O ATOM 497 CB PHE A 31 -1.201 5.287 3.111 1.00 73.45 C ATOM 498 CG PHE A 31 -0.522 4.114 2.478 1.00 53.41 C ATOM 499 CD1 PHE A 31 -1.070 3.496 1.372 1.00 62.31 C ATOM 500 CD2 PHE A 31 0.631 3.595 3.038 1.00 20.32 C ATOM 501 CE1 PHE A 31 -0.483 2.379 0.825 1.00 2.52 C ATOM 502 CE2 PHE A 31 1.237 2.482 2.499 1.00 10.41 C ATOM 503 CZ PHE A 31 0.680 1.867 1.385 1.00 25.32 C ATOM 0 H PHE A 31 -2.120 6.550 5.063 1.00 73.21 H new ATOM 0 HA PHE A 31 -3.227 4.709 3.191 1.00 54.31 H new ATOM 0 HB2 PHE A 31 -1.501 5.996 2.340 1.00 73.45 H new ATOM 0 HB3 PHE A 31 -0.501 5.806 3.766 1.00 73.45 H new ATOM 0 HD1 PHE A 31 -1.971 3.895 0.931 1.00 62.31 H new ATOM 0 HD2 PHE A 31 1.061 4.068 3.908 1.00 20.32 H new ATOM 0 HE1 PHE A 31 -0.925 1.902 -0.037 1.00 2.52 H new ATOM 0 HE2 PHE A 31 2.141 2.089 2.940 1.00 10.41 H new ATOM 0 HZ PHE A 31 1.150 0.994 0.956 1.00 25.32 H new ATOM 513 N LEU A 32 -1.546 3.568 5.764 1.00 35.24 N ATOM 514 CA LEU A 32 -1.235 2.389 6.558 1.00 11.35 C ATOM 515 C LEU A 32 -2.475 1.574 6.839 1.00 63.34 C ATOM 516 O LEU A 32 -2.442 0.346 6.803 1.00 73.22 O ATOM 517 CB LEU A 32 -0.601 2.809 7.874 1.00 43.21 C ATOM 518 CG LEU A 32 0.773 3.444 7.805 1.00 43.11 C ATOM 519 CD1 LEU A 32 1.226 3.797 9.198 1.00 53.23 C ATOM 520 CD2 LEU A 32 1.784 2.529 7.110 1.00 21.03 C ATOM 0 H LEU A 32 -1.217 4.439 6.180 1.00 35.24 H new ATOM 0 HA LEU A 32 -0.539 1.773 5.988 1.00 11.35 H new ATOM 0 HB2 LEU A 32 -1.274 3.511 8.365 1.00 43.21 H new ATOM 0 HB3 LEU A 32 -0.536 1.929 8.514 1.00 43.21 H new ATOM 0 HG LEU A 32 0.710 4.353 7.206 1.00 43.11 H new ATOM 0 HD11 LEU A 32 2.214 4.254 9.154 1.00 53.23 H new ATOM 0 HD12 LEU A 32 0.521 4.499 9.643 1.00 53.23 H new ATOM 0 HD13 LEU A 32 1.271 2.893 9.806 1.00 53.23 H new ATOM 0 HD21 LEU A 32 2.757 3.019 7.080 1.00 21.03 H new ATOM 0 HD22 LEU A 32 1.866 1.592 7.661 1.00 21.03 H new ATOM 0 HD23 LEU A 32 1.450 2.323 6.093 1.00 21.03 H new ATOM 532 N GLU A 33 -3.576 2.266 7.055 1.00 72.12 N ATOM 533 CA GLU A 33 -4.823 1.629 7.377 1.00 23.33 C ATOM 534 C GLU A 33 -5.340 0.805 6.183 1.00 74.25 C ATOM 535 O GLU A 33 -5.982 -0.214 6.369 1.00 44.42 O ATOM 536 CB GLU A 33 -5.852 2.673 7.823 1.00 13.40 C ATOM 537 CG GLU A 33 -6.486 3.483 6.702 1.00 44.44 C ATOM 538 CD GLU A 33 -7.498 4.480 7.197 1.00 71.24 C ATOM 539 OE1 GLU A 33 -7.116 5.521 7.773 1.00 53.00 O ATOM 540 OE2 GLU A 33 -8.709 4.233 7.041 1.00 33.13 O ATOM 0 H GLU A 33 -3.624 3.284 7.011 1.00 72.12 H new ATOM 0 HA GLU A 33 -4.660 0.939 8.205 1.00 23.33 H new ATOM 0 HB2 GLU A 33 -6.644 2.166 8.375 1.00 13.40 H new ATOM 0 HB3 GLU A 33 -5.369 3.361 8.518 1.00 13.40 H new ATOM 0 HG2 GLU A 33 -5.704 4.009 6.154 1.00 44.44 H new ATOM 0 HG3 GLU A 33 -6.967 2.804 5.998 1.00 44.44 H new ATOM 547 N ILE A 34 -4.995 1.232 4.968 1.00 54.23 N ATOM 548 CA ILE A 34 -5.413 0.590 3.749 1.00 2.25 C ATOM 549 C ILE A 34 -4.641 -0.695 3.550 1.00 33.44 C ATOM 550 O ILE A 34 -5.215 -1.726 3.238 1.00 61.34 O ATOM 551 CB ILE A 34 -5.167 1.530 2.552 1.00 21.11 C ATOM 552 CG1 ILE A 34 -5.981 2.812 2.729 1.00 72.12 C ATOM 553 CG2 ILE A 34 -5.483 0.831 1.231 1.00 3.10 C ATOM 554 CD1 ILE A 34 -5.612 3.909 1.771 1.00 52.00 C ATOM 0 H ILE A 34 -4.406 2.050 4.815 1.00 54.23 H new ATOM 0 HA ILE A 34 -6.477 0.362 3.817 1.00 2.25 H new ATOM 0 HB ILE A 34 -4.111 1.799 2.520 1.00 21.11 H new ATOM 0 HG12 ILE A 34 -7.039 2.578 2.607 1.00 72.12 H new ATOM 0 HG13 ILE A 34 -5.850 3.175 3.748 1.00 72.12 H new ATOM 0 HG21 ILE A 34 -5.301 1.517 0.404 1.00 3.10 H new ATOM 0 HG22 ILE A 34 -4.846 -0.046 1.122 1.00 3.10 H new ATOM 0 HG23 ILE A 34 -6.529 0.523 1.223 1.00 3.10 H new ATOM 0 HD11 ILE A 34 -6.234 4.783 1.962 1.00 52.00 H new ATOM 0 HD12 ILE A 34 -4.563 4.173 1.907 1.00 52.00 H new ATOM 0 HD13 ILE A 34 -5.770 3.567 0.748 1.00 52.00 H new ATOM 566 N LEU A 35 -3.339 -0.637 3.767 1.00 1.11 N ATOM 567 CA LEU A 35 -2.498 -1.789 3.603 1.00 63.35 C ATOM 568 C LEU A 35 -2.848 -2.807 4.704 1.00 21.14 C ATOM 569 O LEU A 35 -2.880 -4.016 4.472 1.00 72.12 O ATOM 570 CB LEU A 35 -1.040 -1.331 3.681 1.00 5.11 C ATOM 571 CG LEU A 35 0.029 -2.180 2.975 1.00 4.01 C ATOM 572 CD1 LEU A 35 0.188 -3.568 3.584 1.00 5.12 C ATOM 573 CD2 LEU A 35 -0.253 -2.278 1.478 1.00 75.21 C ATOM 0 H LEU A 35 -2.847 0.207 4.059 1.00 1.11 H new ATOM 0 HA LEU A 35 -2.651 -2.272 2.638 1.00 63.35 H new ATOM 0 HB2 LEU A 35 -0.986 -0.322 3.273 1.00 5.11 H new ATOM 0 HB3 LEU A 35 -0.769 -1.263 4.735 1.00 5.11 H new ATOM 0 HG LEU A 35 0.977 -1.664 3.124 1.00 4.01 H new ATOM 0 HD11 LEU A 35 0.957 -4.118 3.041 1.00 5.12 H new ATOM 0 HD12 LEU A 35 0.479 -3.475 4.630 1.00 5.12 H new ATOM 0 HD13 LEU A 35 -0.758 -4.106 3.516 1.00 5.12 H new ATOM 0 HD21 LEU A 35 0.518 -2.884 1.001 1.00 75.21 H new ATOM 0 HD22 LEU A 35 -1.227 -2.741 1.321 1.00 75.21 H new ATOM 0 HD23 LEU A 35 -0.251 -1.279 1.041 1.00 75.21 H new ATOM 585 N HIS A 36 -3.154 -2.289 5.880 1.00 61.40 N ATOM 586 CA HIS A 36 -3.603 -3.098 7.004 1.00 50.21 C ATOM 587 C HIS A 36 -4.941 -3.774 6.649 1.00 13.30 C ATOM 588 O HIS A 36 -5.142 -4.963 6.901 1.00 53.45 O ATOM 589 CB HIS A 36 -3.748 -2.194 8.244 1.00 72.11 C ATOM 590 CG HIS A 36 -4.223 -2.875 9.485 1.00 15.33 C ATOM 591 ND1 HIS A 36 -5.424 -2.596 10.089 1.00 43.44 N ATOM 592 CD2 HIS A 36 -3.623 -3.809 10.255 1.00 40.34 C ATOM 593 CE1 HIS A 36 -5.523 -3.340 11.179 1.00 70.25 C ATOM 594 NE2 HIS A 36 -4.450 -4.107 11.335 1.00 24.14 N ATOM 0 H HIS A 36 -3.099 -1.291 6.085 1.00 61.40 H new ATOM 0 HA HIS A 36 -2.876 -3.880 7.224 1.00 50.21 H new ATOM 0 HB2 HIS A 36 -2.782 -1.733 8.451 1.00 72.11 H new ATOM 0 HB3 HIS A 36 -4.441 -1.388 8.005 1.00 72.11 H new ATOM 0 HD1 HIS A 36 -6.120 -1.930 9.755 1.00 43.44 H new ATOM 0 HD2 HIS A 36 -2.657 -4.253 10.064 1.00 40.34 H new ATOM 0 HE1 HIS A 36 -6.366 -3.325 11.854 1.00 70.25 H new ATOM 602 N THR A 37 -5.807 -3.008 6.012 1.00 72.41 N ATOM 603 CA THR A 37 -7.101 -3.447 5.555 1.00 70.52 C ATOM 604 C THR A 37 -6.949 -4.573 4.527 1.00 5.31 C ATOM 605 O THR A 37 -7.646 -5.602 4.584 1.00 72.42 O ATOM 606 CB THR A 37 -7.805 -2.213 4.935 1.00 52.42 C ATOM 607 OG1 THR A 37 -8.339 -1.353 5.939 1.00 72.13 O ATOM 608 CG2 THR A 37 -8.812 -2.522 3.862 1.00 24.03 C ATOM 0 H THR A 37 -5.617 -2.030 5.794 1.00 72.41 H new ATOM 0 HA THR A 37 -7.694 -3.846 6.378 1.00 70.52 H new ATOM 0 HB THR A 37 -7.013 -1.678 4.411 1.00 52.42 H new ATOM 0 HG1 THR A 37 -7.629 -0.771 6.283 1.00 72.13 H new ATOM 0 HG21 THR A 37 -9.247 -1.593 3.493 1.00 24.03 H new ATOM 0 HG22 THR A 37 -8.320 -3.043 3.041 1.00 24.03 H new ATOM 0 HG23 THR A 37 -9.599 -3.154 4.273 1.00 24.03 H new ATOM 616 N TYR A 38 -6.005 -4.368 3.647 1.00 72.11 N ATOM 617 CA TYR A 38 -5.688 -5.243 2.561 1.00 73.55 C ATOM 618 C TYR A 38 -5.344 -6.633 3.085 1.00 71.13 C ATOM 619 O TYR A 38 -5.953 -7.629 2.690 1.00 32.01 O ATOM 620 CB TYR A 38 -4.492 -4.637 1.832 1.00 62.20 C ATOM 621 CG TYR A 38 -4.164 -5.242 0.519 1.00 40.34 C ATOM 622 CD1 TYR A 38 -4.817 -4.803 -0.593 1.00 10.00 C ATOM 623 CD2 TYR A 38 -3.183 -6.207 0.380 1.00 33.41 C ATOM 624 CE1 TYR A 38 -4.526 -5.305 -1.851 1.00 24.22 C ATOM 625 CE2 TYR A 38 -2.877 -6.730 -0.858 1.00 1.33 C ATOM 626 CZ TYR A 38 -3.553 -6.276 -1.974 1.00 72.54 C ATOM 627 OH TYR A 38 -3.246 -6.794 -3.207 1.00 61.41 O ATOM 0 H TYR A 38 -5.408 -3.541 3.674 1.00 72.11 H new ATOM 0 HA TYR A 38 -6.538 -5.348 1.886 1.00 73.55 H new ATOM 0 HB2 TYR A 38 -4.681 -3.574 1.684 1.00 62.20 H new ATOM 0 HB3 TYR A 38 -3.617 -4.719 2.477 1.00 62.20 H new ATOM 0 HD1 TYR A 38 -5.580 -4.045 -0.491 1.00 10.00 H new ATOM 0 HD2 TYR A 38 -2.650 -6.555 1.252 1.00 33.41 H new ATOM 0 HE1 TYR A 38 -5.052 -4.942 -2.722 1.00 24.22 H new ATOM 0 HE2 TYR A 38 -2.115 -7.489 -0.955 1.00 1.33 H new ATOM 0 HH TYR A 38 -2.539 -7.466 -3.113 1.00 61.41 H new ATOM 637 N GLN A 39 -4.420 -6.675 4.029 1.00 71.04 N ATOM 638 CA GLN A 39 -3.940 -7.924 4.585 1.00 20.23 C ATOM 639 C GLN A 39 -5.026 -8.689 5.321 1.00 21.32 C ATOM 640 O GLN A 39 -5.142 -9.901 5.178 1.00 64.11 O ATOM 641 CB GLN A 39 -2.726 -7.691 5.476 1.00 31.45 C ATOM 642 CG GLN A 39 -1.534 -7.095 4.730 1.00 31.54 C ATOM 643 CD GLN A 39 -0.957 -8.007 3.638 1.00 43.10 C ATOM 644 OE1 GLN A 39 -1.651 -8.819 3.033 1.00 22.52 O ATOM 645 NE2 GLN A 39 0.308 -7.853 3.361 1.00 34.40 N ATOM 0 H GLN A 39 -3.983 -5.845 4.430 1.00 71.04 H new ATOM 0 HA GLN A 39 -3.635 -8.549 3.746 1.00 20.23 H new ATOM 0 HB2 GLN A 39 -3.005 -7.024 6.292 1.00 31.45 H new ATOM 0 HB3 GLN A 39 -2.427 -8.638 5.926 1.00 31.45 H new ATOM 0 HG2 GLN A 39 -1.838 -6.151 4.277 1.00 31.54 H new ATOM 0 HG3 GLN A 39 -0.748 -6.865 5.449 1.00 31.54 H new ATOM 0 HE21 GLN A 39 0.864 -7.172 3.878 1.00 34.40 H new ATOM 0 HE22 GLN A 39 0.741 -8.414 2.628 1.00 34.40 H new ATOM 654 N LYS A 40 -5.862 -7.985 6.060 1.00 12.24 N ATOM 655 CA LYS A 40 -6.924 -8.645 6.792 1.00 62.53 C ATOM 656 C LYS A 40 -8.039 -9.159 5.906 1.00 71.34 C ATOM 657 O LYS A 40 -8.789 -10.058 6.305 1.00 62.03 O ATOM 658 CB LYS A 40 -7.491 -7.791 7.905 1.00 5.14 C ATOM 659 CG LYS A 40 -6.722 -7.907 9.198 1.00 70.03 C ATOM 660 CD LYS A 40 -5.371 -7.222 9.163 1.00 21.41 C ATOM 661 CE LYS A 40 -4.626 -7.417 10.478 1.00 13.01 C ATOM 662 NZ LYS A 40 -5.385 -6.893 11.641 1.00 61.40 N ATOM 0 H LYS A 40 -5.828 -6.971 6.168 1.00 12.24 H new ATOM 0 HA LYS A 40 -6.442 -9.512 7.244 1.00 62.53 H new ATOM 0 HB2 LYS A 40 -7.497 -6.749 7.586 1.00 5.14 H new ATOM 0 HB3 LYS A 40 -8.528 -8.077 8.080 1.00 5.14 H new ATOM 0 HG2 LYS A 40 -7.317 -7.478 10.005 1.00 70.03 H new ATOM 0 HG3 LYS A 40 -6.579 -8.962 9.433 1.00 70.03 H new ATOM 0 HD2 LYS A 40 -4.777 -7.623 8.342 1.00 21.41 H new ATOM 0 HD3 LYS A 40 -5.504 -6.157 8.970 1.00 21.41 H new ATOM 0 HE2 LYS A 40 -4.427 -8.478 10.626 1.00 13.01 H new ATOM 0 HE3 LYS A 40 -3.659 -6.916 10.423 1.00 13.01 H new ATOM 0 HZ1 LYS A 40 -4.943 -7.224 12.522 1.00 61.40 H new ATOM 0 HZ2 LYS A 40 -5.378 -5.853 11.620 1.00 61.40 H new ATOM 0 HZ3 LYS A 40 -6.367 -7.234 11.597 1.00 61.40 H new ATOM 676 N GLU A 41 -8.156 -8.607 4.722 1.00 11.14 N ATOM 677 CA GLU A 41 -9.199 -9.009 3.803 1.00 21.13 C ATOM 678 C GLU A 41 -8.671 -10.178 2.950 1.00 55.51 C ATOM 679 O GLU A 41 -9.388 -11.132 2.656 1.00 51.53 O ATOM 680 CB GLU A 41 -9.589 -7.803 2.926 1.00 22.10 C ATOM 681 CG GLU A 41 -11.057 -7.748 2.488 1.00 64.10 C ATOM 682 CD GLU A 41 -11.490 -8.910 1.640 1.00 4.02 C ATOM 683 OE1 GLU A 41 -10.907 -9.121 0.559 1.00 33.52 O ATOM 684 OE2 GLU A 41 -12.418 -9.642 2.045 1.00 41.41 O ATOM 0 H GLU A 41 -7.540 -7.875 4.369 1.00 11.14 H new ATOM 0 HA GLU A 41 -10.089 -9.340 4.338 1.00 21.13 H new ATOM 0 HB2 GLU A 41 -9.358 -6.889 3.473 1.00 22.10 H new ATOM 0 HB3 GLU A 41 -8.963 -7.808 2.034 1.00 22.10 H new ATOM 0 HG2 GLU A 41 -11.688 -7.705 3.376 1.00 64.10 H new ATOM 0 HG3 GLU A 41 -11.225 -6.825 1.933 1.00 64.10 H new ATOM 691 N GLN A 42 -7.399 -10.105 2.585 1.00 23.42 N ATOM 692 CA GLN A 42 -6.777 -11.149 1.788 1.00 32.43 C ATOM 693 C GLN A 42 -6.512 -12.397 2.614 1.00 65.30 C ATOM 694 O GLN A 42 -6.696 -13.522 2.138 1.00 71.24 O ATOM 695 CB GLN A 42 -5.509 -10.647 1.120 1.00 21.42 C ATOM 696 CG GLN A 42 -5.750 -9.516 0.122 1.00 63.30 C ATOM 697 CD GLN A 42 -6.677 -9.924 -1.010 1.00 23.12 C ATOM 698 OE1 GLN A 42 -6.228 -10.418 -2.043 1.00 35.10 O ATOM 699 NE2 GLN A 42 -7.960 -9.720 -0.837 1.00 14.11 N ATOM 0 H GLN A 42 -6.779 -9.333 2.829 1.00 23.42 H new ATOM 0 HA GLN A 42 -7.479 -11.424 1.001 1.00 32.43 H new ATOM 0 HB2 GLN A 42 -4.816 -10.302 1.887 1.00 21.42 H new ATOM 0 HB3 GLN A 42 -5.026 -11.478 0.605 1.00 21.42 H new ATOM 0 HG2 GLN A 42 -6.176 -8.660 0.645 1.00 63.30 H new ATOM 0 HG3 GLN A 42 -4.795 -9.193 -0.293 1.00 63.30 H new ATOM 0 HE21 GLN A 42 -8.298 -9.308 0.033 1.00 14.11 H new ATOM 0 HE22 GLN A 42 -8.620 -9.973 -1.572 1.00 14.11 H new ATOM 708 N LEU A 43 -6.098 -12.210 3.850 1.00 35.44 N ATOM 709 CA LEU A 43 -5.889 -13.330 4.751 1.00 2.14 C ATOM 710 C LEU A 43 -7.168 -13.618 5.516 1.00 25.22 C ATOM 711 O LEU A 43 -7.251 -13.431 6.736 1.00 21.01 O ATOM 712 CB LEU A 43 -4.692 -13.126 5.725 1.00 23.42 C ATOM 713 CG LEU A 43 -3.271 -13.286 5.175 1.00 13.40 C ATOM 714 CD1 LEU A 43 -3.075 -14.687 4.705 1.00 15.21 C ATOM 715 CD2 LEU A 43 -2.975 -12.302 4.059 1.00 60.52 C ATOM 0 H LEU A 43 -5.899 -11.295 4.256 1.00 35.44 H new ATOM 0 HA LEU A 43 -5.626 -14.190 4.136 1.00 2.14 H new ATOM 0 HB2 LEU A 43 -4.774 -12.124 6.147 1.00 23.42 H new ATOM 0 HB3 LEU A 43 -4.811 -13.830 6.549 1.00 23.42 H new ATOM 0 HG LEU A 43 -2.571 -13.068 5.981 1.00 13.40 H new ATOM 0 HD11 LEU A 43 -2.064 -14.801 4.314 1.00 15.21 H new ATOM 0 HD12 LEU A 43 -3.221 -15.374 5.538 1.00 15.21 H new ATOM 0 HD13 LEU A 43 -3.796 -14.911 3.919 1.00 15.21 H new ATOM 0 HD21 LEU A 43 -1.957 -12.453 3.701 1.00 60.52 H new ATOM 0 HD22 LEU A 43 -3.675 -12.461 3.239 1.00 60.52 H new ATOM 0 HD23 LEU A 43 -3.080 -11.284 4.434 1.00 60.52 H new ATOM 727 N HIS A 44 -8.173 -14.004 4.782 1.00 1.44 N ATOM 728 CA HIS A 44 -9.465 -14.314 5.326 1.00 23.24 C ATOM 729 C HIS A 44 -10.028 -15.475 4.535 1.00 13.50 C ATOM 730 O HIS A 44 -9.972 -15.469 3.304 1.00 33.45 O ATOM 731 CB HIS A 44 -10.383 -13.075 5.254 1.00 71.52 C ATOM 732 CG HIS A 44 -11.743 -13.251 5.873 1.00 13.44 C ATOM 733 ND1 HIS A 44 -11.995 -13.163 7.224 1.00 45.42 N ATOM 734 CD2 HIS A 44 -12.937 -13.495 5.289 1.00 44.25 C ATOM 735 CE1 HIS A 44 -13.297 -13.349 7.420 1.00 51.21 C ATOM 736 NE2 HIS A 44 -13.923 -13.556 6.273 1.00 72.53 N ATOM 0 H HIS A 44 -8.116 -14.114 3.770 1.00 1.44 H new ATOM 0 HA HIS A 44 -9.391 -14.593 6.377 1.00 23.24 H new ATOM 0 HB2 HIS A 44 -9.882 -12.242 5.747 1.00 71.52 H new ATOM 0 HB3 HIS A 44 -10.510 -12.797 4.208 1.00 71.52 H new ATOM 0 HD2 HIS A 44 -13.101 -13.622 4.229 1.00 44.25 H new ATOM 0 HE1 HIS A 44 -13.779 -13.333 8.386 1.00 51.21 H new ATOM 0 HE2 HIS A 44 -14.920 -13.725 6.137 1.00 72.53 H new ATOM 744 N THR A 45 -10.522 -16.463 5.237 1.00 75.15 N ATOM 745 CA THR A 45 -11.011 -17.693 4.649 1.00 0.14 C ATOM 746 C THR A 45 -12.158 -17.458 3.645 1.00 61.24 C ATOM 747 O THR A 45 -13.036 -16.601 3.854 1.00 1.03 O ATOM 748 CB THR A 45 -11.463 -18.651 5.773 1.00 2.23 C ATOM 749 OG1 THR A 45 -10.402 -18.739 6.734 1.00 30.52 O ATOM 750 CG2 THR A 45 -11.751 -20.053 5.237 1.00 72.43 C ATOM 0 H THR A 45 -10.599 -16.438 6.254 1.00 75.15 H new ATOM 0 HA THR A 45 -10.193 -18.139 4.084 1.00 0.14 H new ATOM 0 HB THR A 45 -12.379 -18.262 6.216 1.00 2.23 H new ATOM 0 HG1 THR A 45 -10.667 -19.342 7.460 1.00 30.52 H new ATOM 0 HG21 THR A 45 -12.066 -20.698 6.057 1.00 72.43 H new ATOM 0 HG22 THR A 45 -12.544 -20.001 4.490 1.00 72.43 H new ATOM 0 HG23 THR A 45 -10.849 -20.461 4.781 1.00 72.43 H new ATOM 758 N LYS A 46 -12.101 -18.189 2.543 1.00 14.30 N ATOM 759 CA LYS A 46 -13.112 -18.191 1.523 1.00 4.24 C ATOM 760 C LYS A 46 -14.449 -18.624 2.157 1.00 23.32 C ATOM 761 O LYS A 46 -14.504 -19.596 2.915 1.00 32.01 O ATOM 762 CB LYS A 46 -12.626 -19.162 0.428 1.00 64.34 C ATOM 763 CG LYS A 46 -13.414 -19.235 -0.873 1.00 51.04 C ATOM 764 CD LYS A 46 -14.722 -19.996 -0.743 1.00 43.30 C ATOM 765 CE LYS A 46 -15.395 -20.149 -2.089 1.00 41.40 C ATOM 766 NZ LYS A 46 -16.662 -20.893 -2.002 1.00 14.31 N ATOM 0 H LYS A 46 -11.321 -18.813 2.337 1.00 14.30 H new ATOM 0 HA LYS A 46 -13.276 -17.209 1.079 1.00 4.24 H new ATOM 0 HB2 LYS A 46 -11.598 -18.896 0.180 1.00 64.34 H new ATOM 0 HB3 LYS A 46 -12.601 -20.163 0.858 1.00 64.34 H new ATOM 0 HG2 LYS A 46 -13.624 -18.223 -1.220 1.00 51.04 H new ATOM 0 HG3 LYS A 46 -12.799 -19.712 -1.636 1.00 51.04 H new ATOM 0 HD2 LYS A 46 -14.534 -20.980 -0.313 1.00 43.30 H new ATOM 0 HD3 LYS A 46 -15.387 -19.470 -0.058 1.00 43.30 H new ATOM 0 HE2 LYS A 46 -15.585 -19.162 -2.511 1.00 41.40 H new ATOM 0 HE3 LYS A 46 -14.721 -20.664 -2.773 1.00 41.40 H new ATOM 0 HZ1 LYS A 46 -17.084 -20.971 -2.949 1.00 14.31 H new ATOM 0 HZ2 LYS A 46 -16.480 -21.845 -1.624 1.00 14.31 H new ATOM 0 HZ3 LYS A 46 -17.318 -20.389 -1.371 1.00 14.31 H new ATOM 780 N GLY A 47 -15.483 -17.872 1.899 1.00 35.22 N ATOM 781 CA GLY A 47 -16.791 -18.147 2.469 1.00 2.51 C ATOM 782 C GLY A 47 -17.441 -16.862 2.887 1.00 50.12 C ATOM 783 O GLY A 47 -17.990 -16.738 3.984 1.00 35.15 O ATOM 0 H GLY A 47 -15.453 -17.053 1.292 1.00 35.22 H new ATOM 0 HA2 GLY A 47 -17.416 -18.661 1.739 1.00 2.51 H new ATOM 0 HA3 GLY A 47 -16.692 -18.812 3.327 1.00 2.51 H new ATOM 787 N ARG A 48 -17.389 -15.925 1.998 1.00 63.14 N ATOM 788 CA ARG A 48 -17.838 -14.577 2.207 1.00 33.11 C ATOM 789 C ARG A 48 -18.437 -14.165 0.887 1.00 2.03 C ATOM 790 O ARG A 48 -17.949 -14.648 -0.152 1.00 73.43 O ATOM 791 CB ARG A 48 -16.583 -13.710 2.453 1.00 10.24 C ATOM 792 CG ARG A 48 -16.784 -12.246 2.852 1.00 41.22 C ATOM 793 CD ARG A 48 -17.215 -12.105 4.294 1.00 1.11 C ATOM 794 NE ARG A 48 -17.138 -10.711 4.758 1.00 43.31 N ATOM 795 CZ ARG A 48 -16.695 -10.334 5.968 1.00 21.21 C ATOM 796 NH1 ARG A 48 -16.329 -11.251 6.868 1.00 24.51 N ATOM 797 NH2 ARG A 48 -16.621 -9.049 6.269 1.00 54.41 N ATOM 0 H ARG A 48 -17.016 -16.080 1.061 1.00 63.14 H new ATOM 0 HA ARG A 48 -18.538 -14.477 3.037 1.00 33.11 H new ATOM 0 HB2 ARG A 48 -15.994 -14.190 3.234 1.00 10.24 H new ATOM 0 HB3 ARG A 48 -15.982 -13.728 1.544 1.00 10.24 H new ATOM 0 HG2 ARG A 48 -15.855 -11.697 2.696 1.00 41.22 H new ATOM 0 HG3 ARG A 48 -17.534 -11.793 2.204 1.00 41.22 H new ATOM 0 HD2 ARG A 48 -18.237 -12.468 4.404 1.00 1.11 H new ATOM 0 HD3 ARG A 48 -16.584 -12.732 4.924 1.00 1.11 H new ATOM 0 HE ARG A 48 -17.443 -9.980 4.115 1.00 43.31 H new ATOM 0 HH11 ARG A 48 -16.385 -12.243 6.637 1.00 24.51 H new ATOM 0 HH12 ARG A 48 -15.993 -10.959 7.786 1.00 24.51 H new ATOM 0 HH21 ARG A 48 -16.900 -8.348 5.583 1.00 54.41 H new ATOM 0 HH22 ARG A 48 -16.285 -8.759 7.187 1.00 54.41 H new ATOM 811 N PRO A 49 -19.502 -13.343 0.865 1.00 34.22 N ATOM 812 CA PRO A 49 -20.002 -12.773 -0.387 1.00 62.13 C ATOM 813 C PRO A 49 -18.844 -12.065 -1.035 1.00 32.50 C ATOM 814 O PRO A 49 -18.111 -11.338 -0.348 1.00 72.10 O ATOM 815 CB PRO A 49 -21.066 -11.766 0.066 1.00 42.15 C ATOM 816 CG PRO A 49 -21.489 -12.240 1.417 1.00 42.13 C ATOM 817 CD PRO A 49 -20.287 -12.912 2.028 1.00 4.21 C ATOM 0 HA PRO A 49 -20.411 -13.496 -1.092 1.00 62.13 H new ATOM 0 HB2 PRO A 49 -20.660 -10.755 0.110 1.00 42.15 H new ATOM 0 HB3 PRO A 49 -21.908 -11.742 -0.626 1.00 42.15 H new ATOM 0 HG2 PRO A 49 -21.823 -11.406 2.034 1.00 42.13 H new ATOM 0 HG3 PRO A 49 -22.325 -12.935 1.340 1.00 42.13 H new ATOM 0 HD2 PRO A 49 -19.723 -12.226 2.660 1.00 4.21 H new ATOM 0 HD3 PRO A 49 -20.575 -13.758 2.653 1.00 4.21 H new ATOM 825 N PHE A 50 -18.638 -12.298 -2.311 1.00 12.14 N ATOM 826 CA PHE A 50 -17.442 -11.840 -2.967 1.00 60.22 C ATOM 827 C PHE A 50 -17.353 -10.320 -3.090 1.00 62.32 C ATOM 828 O PHE A 50 -17.810 -9.713 -4.047 1.00 41.21 O ATOM 829 CB PHE A 50 -17.210 -12.549 -4.299 1.00 15.54 C ATOM 830 CG PHE A 50 -15.815 -12.349 -4.845 1.00 44.32 C ATOM 831 CD1 PHE A 50 -14.772 -13.148 -4.402 1.00 22.22 C ATOM 832 CD2 PHE A 50 -15.544 -11.364 -5.777 1.00 2.43 C ATOM 833 CE1 PHE A 50 -13.488 -12.968 -4.880 1.00 23.15 C ATOM 834 CE2 PHE A 50 -14.262 -11.177 -6.255 1.00 62.55 C ATOM 835 CZ PHE A 50 -13.233 -11.979 -5.808 1.00 61.01 C ATOM 0 H PHE A 50 -19.287 -12.804 -2.914 1.00 12.14 H new ATOM 0 HA PHE A 50 -16.620 -12.121 -2.309 1.00 60.22 H new ATOM 0 HB2 PHE A 50 -17.394 -13.616 -4.172 1.00 15.54 H new ATOM 0 HB3 PHE A 50 -17.934 -12.185 -5.028 1.00 15.54 H new ATOM 0 HD1 PHE A 50 -14.966 -13.921 -3.674 1.00 22.22 H new ATOM 0 HD2 PHE A 50 -16.344 -10.734 -6.135 1.00 2.43 H new ATOM 0 HE1 PHE A 50 -12.686 -13.600 -4.528 1.00 23.15 H new ATOM 0 HE2 PHE A 50 -14.065 -10.401 -6.980 1.00 62.55 H new ATOM 0 HZ PHE A 50 -12.231 -11.834 -6.183 1.00 61.01 H new ATOM 845 N ARG A 51 -16.843 -9.738 -2.046 1.00 61.34 N ATOM 846 CA ARG A 51 -16.507 -8.337 -1.956 1.00 62.33 C ATOM 847 C ARG A 51 -15.043 -8.254 -1.657 1.00 2.34 C ATOM 848 O ARG A 51 -14.571 -7.319 -1.000 1.00 30.02 O ATOM 849 CB ARG A 51 -17.303 -7.634 -0.847 1.00 10.34 C ATOM 850 CG ARG A 51 -18.603 -6.971 -1.293 1.00 44.00 C ATOM 851 CD ARG A 51 -19.631 -7.954 -1.816 1.00 32.24 C ATOM 852 NE ARG A 51 -20.795 -7.253 -2.351 1.00 71.24 N ATOM 853 CZ ARG A 51 -21.964 -7.810 -2.677 1.00 5.13 C ATOM 854 NH1 ARG A 51 -22.157 -9.121 -2.519 1.00 42.44 N ATOM 855 NH2 ARG A 51 -22.934 -7.056 -3.170 1.00 5.33 N ATOM 0 H ARG A 51 -16.637 -10.248 -1.187 1.00 61.34 H new ATOM 0 HA ARG A 51 -16.755 -7.839 -2.893 1.00 62.33 H new ATOM 0 HB2 ARG A 51 -17.535 -8.364 -0.071 1.00 10.34 H new ATOM 0 HB3 ARG A 51 -16.666 -6.876 -0.391 1.00 10.34 H new ATOM 0 HG2 ARG A 51 -19.030 -6.423 -0.453 1.00 44.00 H new ATOM 0 HG3 ARG A 51 -18.381 -6.240 -2.071 1.00 44.00 H new ATOM 0 HD2 ARG A 51 -19.185 -8.574 -2.594 1.00 32.24 H new ATOM 0 HD3 ARG A 51 -19.941 -8.624 -1.014 1.00 32.24 H new ATOM 0 HE ARG A 51 -20.707 -6.246 -2.488 1.00 71.24 H new ATOM 0 HH11 ARG A 51 -21.409 -9.705 -2.147 1.00 42.44 H new ATOM 0 HH12 ARG A 51 -23.053 -9.539 -2.770 1.00 42.44 H new ATOM 0 HH21 ARG A 51 -22.786 -6.055 -3.299 1.00 5.33 H new ATOM 0 HH22 ARG A 51 -23.829 -7.476 -3.421 1.00 5.33 H new ATOM 869 N GLY A 52 -14.338 -9.258 -2.150 1.00 61.55 N ATOM 870 CA GLY A 52 -12.914 -9.371 -1.974 1.00 73.35 C ATOM 871 C GLY A 52 -12.214 -8.136 -2.444 1.00 23.51 C ATOM 872 O GLY A 52 -12.499 -7.638 -3.556 1.00 73.13 O ATOM 0 H GLY A 52 -14.749 -10.021 -2.688 1.00 61.55 H new ATOM 0 HA2 GLY A 52 -12.687 -9.543 -0.922 1.00 73.35 H new ATOM 0 HA3 GLY A 52 -12.544 -10.235 -2.526 1.00 73.35 H new ATOM 876 N MET A 53 -11.353 -7.619 -1.599 1.00 33.33 N ATOM 877 CA MET A 53 -10.652 -6.393 -1.831 1.00 10.21 C ATOM 878 C MET A 53 -9.810 -6.524 -3.064 1.00 53.31 C ATOM 879 O MET A 53 -8.777 -7.196 -3.063 1.00 64.14 O ATOM 880 CB MET A 53 -9.768 -6.036 -0.638 1.00 73.53 C ATOM 881 CG MET A 53 -9.532 -4.562 -0.518 1.00 50.43 C ATOM 882 SD MET A 53 -8.378 -4.127 0.785 1.00 63.20 S ATOM 883 CE MET A 53 -8.475 -2.327 0.732 1.00 23.53 C ATOM 0 H MET A 53 -11.119 -8.058 -0.708 1.00 33.33 H new ATOM 0 HA MET A 53 -11.383 -5.596 -1.966 1.00 10.21 H new ATOM 0 HB2 MET A 53 -10.234 -6.401 0.277 1.00 73.53 H new ATOM 0 HB3 MET A 53 -8.810 -6.547 -0.734 1.00 73.53 H new ATOM 0 HG2 MET A 53 -9.155 -4.184 -1.468 1.00 50.43 H new ATOM 0 HG3 MET A 53 -10.483 -4.064 -0.332 1.00 50.43 H new ATOM 0 HE1 MET A 53 -7.567 -1.901 1.158 1.00 23.53 H new ATOM 0 HE2 MET A 53 -8.580 -1.999 -0.302 1.00 23.53 H new ATOM 0 HE3 MET A 53 -9.338 -1.992 1.308 1.00 23.53 H new ATOM 893 N SER A 54 -10.284 -5.962 -4.130 1.00 2.32 N ATOM 894 CA SER A 54 -9.564 -5.991 -5.346 1.00 34.44 C ATOM 895 C SER A 54 -8.566 -4.864 -5.287 1.00 74.33 C ATOM 896 O SER A 54 -8.844 -3.832 -4.646 1.00 40.41 O ATOM 897 CB SER A 54 -10.541 -5.838 -6.510 1.00 62.21 C ATOM 898 OG SER A 54 -11.520 -6.887 -6.470 1.00 53.54 O ATOM 0 H SER A 54 -11.178 -5.474 -4.174 1.00 2.32 H new ATOM 0 HA SER A 54 -9.036 -6.933 -5.495 1.00 34.44 H new ATOM 0 HB2 SER A 54 -11.034 -4.867 -6.457 1.00 62.21 H new ATOM 0 HB3 SER A 54 -10.000 -5.870 -7.456 1.00 62.21 H new ATOM 0 HG SER A 54 -12.144 -6.781 -7.218 1.00 53.54 H new ATOM 904 N GLU A 55 -7.435 -5.014 -5.938 1.00 53.40 N ATOM 905 CA GLU A 55 -6.403 -4.053 -5.832 1.00 64.25 C ATOM 906 C GLU A 55 -6.827 -2.689 -6.384 1.00 55.44 C ATOM 907 O GLU A 55 -6.278 -1.697 -6.016 1.00 42.21 O ATOM 908 CB GLU A 55 -5.081 -4.557 -6.388 1.00 31.10 C ATOM 909 CG GLU A 55 -4.837 -4.245 -7.815 1.00 34.40 C ATOM 910 CD GLU A 55 -5.750 -4.990 -8.761 1.00 61.12 C ATOM 911 OE1 GLU A 55 -5.515 -6.187 -9.016 1.00 30.22 O ATOM 912 OE2 GLU A 55 -6.736 -4.406 -9.228 1.00 51.44 O ATOM 0 H GLU A 55 -7.222 -5.804 -6.547 1.00 53.40 H new ATOM 0 HA GLU A 55 -6.221 -3.893 -4.769 1.00 64.25 H new ATOM 0 HB2 GLU A 55 -4.271 -4.132 -5.796 1.00 31.10 H new ATOM 0 HB3 GLU A 55 -5.039 -5.638 -6.257 1.00 31.10 H new ATOM 0 HG2 GLU A 55 -4.962 -3.173 -7.971 1.00 34.40 H new ATOM 0 HG3 GLU A 55 -3.802 -4.484 -8.059 1.00 34.40 H new ATOM 919 N GLU A 56 -7.809 -2.678 -7.276 1.00 12.30 N ATOM 920 CA GLU A 56 -8.375 -1.462 -7.809 1.00 44.32 C ATOM 921 C GLU A 56 -8.959 -0.575 -6.686 1.00 12.25 C ATOM 922 O GLU A 56 -8.653 0.610 -6.616 1.00 32.30 O ATOM 923 CB GLU A 56 -9.456 -1.804 -8.823 1.00 41.20 C ATOM 924 CG GLU A 56 -10.017 -0.605 -9.544 1.00 61.40 C ATOM 925 CD GLU A 56 -8.975 0.114 -10.366 1.00 5.11 C ATOM 926 OE1 GLU A 56 -8.643 -0.365 -11.473 1.00 21.13 O ATOM 927 OE2 GLU A 56 -8.472 1.149 -9.933 1.00 4.34 O ATOM 0 H GLU A 56 -8.234 -3.527 -7.649 1.00 12.30 H new ATOM 0 HA GLU A 56 -7.580 -0.899 -8.299 1.00 44.32 H new ATOM 0 HB2 GLU A 56 -9.046 -2.498 -9.557 1.00 41.20 H new ATOM 0 HB3 GLU A 56 -10.268 -2.322 -8.313 1.00 41.20 H new ATOM 0 HG2 GLU A 56 -10.832 -0.924 -10.194 1.00 61.40 H new ATOM 0 HG3 GLU A 56 -10.442 0.086 -8.817 1.00 61.40 H new ATOM 934 N GLU A 57 -9.764 -1.158 -5.777 1.00 5.42 N ATOM 935 CA GLU A 57 -10.374 -0.367 -4.694 1.00 13.35 C ATOM 936 C GLU A 57 -9.274 0.097 -3.748 1.00 63.42 C ATOM 937 O GLU A 57 -9.335 1.187 -3.161 1.00 21.45 O ATOM 938 CB GLU A 57 -11.456 -1.163 -3.939 1.00 13.24 C ATOM 939 CG GLU A 57 -10.936 -2.031 -2.840 1.00 42.24 C ATOM 940 CD GLU A 57 -12.020 -2.777 -2.109 1.00 35.23 C ATOM 941 OE1 GLU A 57 -12.574 -2.243 -1.131 1.00 11.35 O ATOM 942 OE2 GLU A 57 -12.336 -3.914 -2.495 1.00 33.41 O ATOM 0 H GLU A 57 -10.002 -2.150 -5.770 1.00 5.42 H new ATOM 0 HA GLU A 57 -10.875 0.498 -5.128 1.00 13.35 H new ATOM 0 HB2 GLU A 57 -12.178 -0.462 -3.520 1.00 13.24 H new ATOM 0 HB3 GLU A 57 -11.994 -1.786 -4.653 1.00 13.24 H new ATOM 0 HG2 GLU A 57 -10.228 -2.748 -3.256 1.00 42.24 H new ATOM 0 HG3 GLU A 57 -10.385 -1.415 -2.129 1.00 42.24 H new ATOM 949 N VAL A 58 -8.251 -0.729 -3.674 1.00 52.21 N ATOM 950 CA VAL A 58 -7.085 -0.492 -2.908 1.00 33.14 C ATOM 951 C VAL A 58 -6.331 0.692 -3.491 1.00 11.30 C ATOM 952 O VAL A 58 -6.128 1.704 -2.819 1.00 74.24 O ATOM 953 CB VAL A 58 -6.236 -1.788 -2.924 1.00 44.33 C ATOM 954 CG1 VAL A 58 -4.817 -1.588 -2.483 1.00 62.55 C ATOM 955 CG2 VAL A 58 -6.909 -2.806 -2.071 1.00 74.04 C ATOM 0 H VAL A 58 -8.227 -1.617 -4.175 1.00 52.21 H new ATOM 0 HA VAL A 58 -7.328 -0.243 -1.875 1.00 33.14 H new ATOM 0 HB VAL A 58 -6.173 -2.125 -3.959 1.00 44.33 H new ATOM 0 HG11 VAL A 58 -4.287 -2.540 -2.521 1.00 62.55 H new ATOM 0 HG12 VAL A 58 -4.328 -0.873 -3.145 1.00 62.55 H new ATOM 0 HG13 VAL A 58 -4.804 -1.206 -1.462 1.00 62.55 H new ATOM 0 HG21 VAL A 58 -6.324 -3.725 -2.071 1.00 74.04 H new ATOM 0 HG22 VAL A 58 -6.992 -2.429 -1.052 1.00 74.04 H new ATOM 0 HG23 VAL A 58 -7.905 -3.010 -2.465 1.00 74.04 H new ATOM 965 N PHE A 59 -6.035 0.591 -4.773 1.00 75.44 N ATOM 966 CA PHE A 59 -5.319 1.594 -5.521 1.00 50.14 C ATOM 967 C PHE A 59 -6.050 2.916 -5.477 1.00 62.44 C ATOM 968 O PHE A 59 -5.426 3.934 -5.391 1.00 32.55 O ATOM 969 CB PHE A 59 -5.102 1.137 -6.978 1.00 72.14 C ATOM 970 CG PHE A 59 -4.266 2.082 -7.806 1.00 3.31 C ATOM 971 CD1 PHE A 59 -2.894 2.137 -7.636 1.00 51.15 C ATOM 972 CD2 PHE A 59 -4.851 2.908 -8.753 1.00 63.44 C ATOM 973 CE1 PHE A 59 -2.121 2.998 -8.388 1.00 74.34 C ATOM 974 CE2 PHE A 59 -4.083 3.771 -9.509 1.00 40.32 C ATOM 975 CZ PHE A 59 -2.718 3.817 -9.326 1.00 14.13 C ATOM 0 H PHE A 59 -6.297 -0.219 -5.335 1.00 75.44 H new ATOM 0 HA PHE A 59 -4.341 1.731 -5.059 1.00 50.14 H new ATOM 0 HB2 PHE A 59 -4.624 0.157 -6.972 1.00 72.14 H new ATOM 0 HB3 PHE A 59 -6.074 1.015 -7.457 1.00 72.14 H new ATOM 0 HD1 PHE A 59 -2.422 1.498 -6.905 1.00 51.15 H new ATOM 0 HD2 PHE A 59 -5.920 2.876 -8.901 1.00 63.44 H new ATOM 0 HE1 PHE A 59 -1.051 3.031 -8.243 1.00 74.34 H new ATOM 0 HE2 PHE A 59 -4.552 4.410 -10.243 1.00 40.32 H new ATOM 0 HZ PHE A 59 -2.116 4.493 -9.915 1.00 14.13 H new ATOM 985 N THR A 60 -7.377 2.876 -5.477 1.00 34.43 N ATOM 986 CA THR A 60 -8.186 4.023 -5.437 1.00 13.20 C ATOM 987 C THR A 60 -7.848 4.918 -4.243 1.00 14.22 C ATOM 988 O THR A 60 -7.508 6.075 -4.426 1.00 51.30 O ATOM 989 CB THR A 60 -9.644 3.580 -5.360 1.00 34.30 C ATOM 990 OG1 THR A 60 -10.002 2.841 -6.544 1.00 75.23 O ATOM 991 CG2 THR A 60 -10.523 4.750 -5.204 1.00 21.20 C ATOM 0 H THR A 60 -7.907 2.005 -5.506 1.00 34.43 H new ATOM 0 HA THR A 60 -8.008 4.610 -6.338 1.00 13.20 H new ATOM 0 HB THR A 60 -9.768 2.932 -4.493 1.00 34.30 H new ATOM 0 HG1 THR A 60 -9.689 1.916 -6.460 1.00 75.23 H new ATOM 0 HG21 THR A 60 -11.561 4.421 -5.150 1.00 21.20 H new ATOM 0 HG22 THR A 60 -10.263 5.281 -4.288 1.00 21.20 H new ATOM 0 HG23 THR A 60 -10.397 5.416 -6.058 1.00 21.20 H new ATOM 999 N GLU A 61 -7.850 4.349 -3.056 1.00 42.41 N ATOM 1000 CA GLU A 61 -7.638 5.117 -1.855 1.00 20.35 C ATOM 1001 C GLU A 61 -6.180 5.502 -1.708 1.00 24.24 C ATOM 1002 O GLU A 61 -5.866 6.543 -1.163 1.00 63.20 O ATOM 1003 CB GLU A 61 -8.100 4.312 -0.663 1.00 24.52 C ATOM 1004 CG GLU A 61 -9.588 4.139 -0.629 1.00 41.33 C ATOM 1005 CD GLU A 61 -10.305 5.409 -0.265 1.00 44.50 C ATOM 1006 OE1 GLU A 61 -10.425 6.304 -1.104 1.00 44.42 O ATOM 1007 OE2 GLU A 61 -10.778 5.520 0.887 1.00 0.10 O ATOM 0 H GLU A 61 -7.997 3.352 -2.900 1.00 42.41 H new ATOM 0 HA GLU A 61 -8.217 6.039 -1.915 1.00 20.35 H new ATOM 0 HB2 GLU A 61 -7.624 3.332 -0.684 1.00 24.52 H new ATOM 0 HB3 GLU A 61 -7.774 4.805 0.253 1.00 24.52 H new ATOM 0 HG2 GLU A 61 -9.934 3.797 -1.605 1.00 41.33 H new ATOM 0 HG3 GLU A 61 -9.844 3.361 0.091 1.00 41.33 H new ATOM 1014 N VAL A 62 -5.302 4.654 -2.208 1.00 3.04 N ATOM 1015 CA VAL A 62 -3.866 4.895 -2.162 1.00 73.11 C ATOM 1016 C VAL A 62 -3.454 5.980 -3.182 1.00 24.01 C ATOM 1017 O VAL A 62 -2.665 6.867 -2.875 1.00 33.23 O ATOM 1018 CB VAL A 62 -3.088 3.584 -2.414 1.00 63.41 C ATOM 1019 CG1 VAL A 62 -1.606 3.790 -2.276 1.00 11.44 C ATOM 1020 CG2 VAL A 62 -3.541 2.523 -1.443 1.00 42.51 C ATOM 0 H VAL A 62 -5.561 3.776 -2.659 1.00 3.04 H new ATOM 0 HA VAL A 62 -3.615 5.258 -1.166 1.00 73.11 H new ATOM 0 HB VAL A 62 -3.295 3.264 -3.435 1.00 63.41 H new ATOM 0 HG11 VAL A 62 -1.089 2.848 -2.460 1.00 11.44 H new ATOM 0 HG12 VAL A 62 -1.273 4.534 -3.000 1.00 11.44 H new ATOM 0 HG13 VAL A 62 -1.379 4.138 -1.268 1.00 11.44 H new ATOM 0 HG21 VAL A 62 -2.988 1.602 -1.627 1.00 42.51 H new ATOM 0 HG22 VAL A 62 -3.356 2.860 -0.423 1.00 42.51 H new ATOM 0 HG23 VAL A 62 -4.607 2.339 -1.576 1.00 42.51 H new ATOM 1030 N ALA A 63 -4.023 5.920 -4.371 1.00 12.44 N ATOM 1031 CA ALA A 63 -3.772 6.919 -5.418 1.00 52.40 C ATOM 1032 C ALA A 63 -4.385 8.239 -5.025 1.00 52.22 C ATOM 1033 O ALA A 63 -3.868 9.287 -5.324 1.00 52.50 O ATOM 1034 CB ALA A 63 -4.319 6.454 -6.762 1.00 53.33 C ATOM 0 H ALA A 63 -4.672 5.183 -4.648 1.00 12.44 H new ATOM 0 HA ALA A 63 -2.694 7.045 -5.523 1.00 52.40 H new ATOM 0 HB1 ALA A 63 -4.119 7.213 -7.518 1.00 53.33 H new ATOM 0 HB2 ALA A 63 -3.835 5.520 -7.048 1.00 53.33 H new ATOM 0 HB3 ALA A 63 -5.394 6.296 -6.682 1.00 53.33 H new ATOM 1040 N ASN A 64 -5.490 8.148 -4.336 1.00 41.51 N ATOM 1041 CA ASN A 64 -6.197 9.292 -3.789 1.00 34.22 C ATOM 1042 C ASN A 64 -5.429 9.889 -2.615 1.00 63.11 C ATOM 1043 O ASN A 64 -5.480 11.095 -2.356 1.00 2.12 O ATOM 1044 CB ASN A 64 -7.600 8.836 -3.427 1.00 50.31 C ATOM 1045 CG ASN A 64 -8.405 9.716 -2.520 1.00 0.01 C ATOM 1046 OD1 ASN A 64 -9.055 10.661 -2.957 1.00 43.34 O ATOM 1047 ND2 ASN A 64 -8.454 9.346 -1.272 1.00 54.34 N ATOM 0 H ASN A 64 -5.941 7.257 -4.130 1.00 41.51 H new ATOM 0 HA ASN A 64 -6.275 10.097 -4.519 1.00 34.22 H new ATOM 0 HB2 ASN A 64 -8.160 8.707 -4.353 1.00 50.31 H new ATOM 0 HB3 ASN A 64 -7.524 7.854 -2.961 1.00 50.31 H new ATOM 0 HD21 ASN A 64 -9.050 9.848 -0.614 1.00 54.34 H new ATOM 0 HD22 ASN A 64 -7.896 8.554 -0.953 1.00 54.34 H new ATOM 1054 N LEU A 65 -4.693 9.036 -1.934 1.00 12.41 N ATOM 1055 CA LEU A 65 -3.870 9.416 -0.817 1.00 52.33 C ATOM 1056 C LEU A 65 -2.635 10.169 -1.340 1.00 60.02 C ATOM 1057 O LEU A 65 -2.416 11.337 -1.031 1.00 41.53 O ATOM 1058 CB LEU A 65 -3.387 8.150 -0.125 1.00 21.42 C ATOM 1059 CG LEU A 65 -2.992 8.248 1.341 1.00 53.13 C ATOM 1060 CD1 LEU A 65 -3.176 9.627 1.892 1.00 21.43 C ATOM 1061 CD2 LEU A 65 -3.862 7.362 2.102 1.00 13.14 C ATOM 0 H LEU A 65 -4.653 8.040 -2.150 1.00 12.41 H new ATOM 0 HA LEU A 65 -4.438 10.045 -0.131 1.00 52.33 H new ATOM 0 HB2 LEU A 65 -4.174 7.401 -0.210 1.00 21.42 H new ATOM 0 HB3 LEU A 65 -2.527 7.773 -0.679 1.00 21.42 H new ATOM 0 HG LEU A 65 -1.938 7.980 1.419 1.00 53.13 H new ATOM 0 HD11 LEU A 65 -2.880 9.642 2.941 1.00 21.43 H new ATOM 0 HD12 LEU A 65 -2.559 10.328 1.330 1.00 21.43 H new ATOM 0 HD13 LEU A 65 -4.223 9.916 1.807 1.00 21.43 H new ATOM 0 HD21 LEU A 65 -3.599 7.413 3.159 1.00 13.14 H new ATOM 0 HD22 LEU A 65 -4.899 7.670 1.971 1.00 13.14 H new ATOM 0 HD23 LEU A 65 -3.739 6.339 1.747 1.00 13.14 H new ATOM 1073 N PHE A 66 -1.878 9.497 -2.193 1.00 22.42 N ATOM 1074 CA PHE A 66 -0.623 10.021 -2.717 1.00 35.42 C ATOM 1075 C PHE A 66 -0.843 10.640 -4.083 1.00 13.11 C ATOM 1076 O PHE A 66 0.013 10.526 -4.969 1.00 62.24 O ATOM 1077 CB PHE A 66 0.397 8.884 -2.876 1.00 71.43 C ATOM 1078 CG PHE A 66 0.630 8.041 -1.656 1.00 33.54 C ATOM 1079 CD1 PHE A 66 0.793 8.613 -0.408 1.00 3.31 C ATOM 1080 CD2 PHE A 66 0.686 6.666 -1.767 1.00 31.04 C ATOM 1081 CE1 PHE A 66 1.005 7.832 0.702 1.00 34.32 C ATOM 1082 CE2 PHE A 66 0.900 5.880 -0.659 1.00 65.54 C ATOM 1083 CZ PHE A 66 1.061 6.466 0.574 1.00 0.31 C ATOM 0 H PHE A 66 -2.116 8.569 -2.544 1.00 22.42 H new ATOM 0 HA PHE A 66 -0.252 10.770 -2.018 1.00 35.42 H new ATOM 0 HB2 PHE A 66 0.065 8.234 -3.686 1.00 71.43 H new ATOM 0 HB3 PHE A 66 1.349 9.316 -3.184 1.00 71.43 H new ATOM 0 HD1 PHE A 66 0.753 9.687 -0.304 1.00 3.31 H new ATOM 0 HD2 PHE A 66 0.560 6.203 -2.734 1.00 31.04 H new ATOM 0 HE1 PHE A 66 1.127 8.291 1.672 1.00 34.32 H new ATOM 0 HE2 PHE A 66 0.941 4.805 -0.757 1.00 65.54 H new ATOM 0 HZ PHE A 66 1.232 5.850 1.445 1.00 0.31 H new ATOM 1093 N ARG A 67 -1.952 11.326 -4.244 1.00 44.42 N ATOM 1094 CA ARG A 67 -2.297 11.926 -5.496 1.00 43.34 C ATOM 1095 C ARG A 67 -1.261 12.975 -5.915 1.00 15.24 C ATOM 1096 O ARG A 67 -1.091 14.011 -5.274 1.00 52.42 O ATOM 1097 CB ARG A 67 -3.724 12.483 -5.452 1.00 3.20 C ATOM 1098 CG ARG A 67 -3.982 13.572 -4.419 1.00 12.31 C ATOM 1099 CD ARG A 67 -5.429 14.026 -4.463 1.00 12.23 C ATOM 1100 NE ARG A 67 -5.818 14.499 -5.801 1.00 73.41 N ATOM 1101 CZ ARG A 67 -7.085 14.562 -6.253 1.00 62.21 C ATOM 1102 NH1 ARG A 67 -8.110 14.288 -5.439 1.00 70.21 N ATOM 1103 NH2 ARG A 67 -7.322 14.935 -7.501 1.00 3.20 N ATOM 0 H ARG A 67 -2.636 11.479 -3.503 1.00 44.42 H new ATOM 0 HA ARG A 67 -2.280 11.157 -6.268 1.00 43.34 H new ATOM 0 HB2 ARG A 67 -3.969 12.879 -6.438 1.00 3.20 H new ATOM 0 HB3 ARG A 67 -4.410 11.658 -5.260 1.00 3.20 H new ATOM 0 HG2 ARG A 67 -3.744 13.198 -3.423 1.00 12.31 H new ATOM 0 HG3 ARG A 67 -3.324 14.421 -4.607 1.00 12.31 H new ATOM 0 HD2 ARG A 67 -6.077 13.201 -4.168 1.00 12.23 H new ATOM 0 HD3 ARG A 67 -5.580 14.825 -3.738 1.00 12.23 H new ATOM 0 HE ARG A 67 -5.075 14.801 -6.431 1.00 73.41 H new ATOM 0 HH11 ARG A 67 -7.935 14.029 -4.468 1.00 70.21 H new ATOM 0 HH12 ARG A 67 -9.067 14.338 -5.789 1.00 70.21 H new ATOM 0 HH21 ARG A 67 -6.546 15.174 -8.118 1.00 3.20 H new ATOM 0 HH22 ARG A 67 -8.281 14.983 -7.845 1.00 3.20 H new ATOM 1117 N GLY A 68 -0.537 12.653 -6.951 1.00 72.01 N ATOM 1118 CA GLY A 68 0.518 13.501 -7.427 1.00 11.22 C ATOM 1119 C GLY A 68 1.801 12.724 -7.514 1.00 3.33 C ATOM 1120 O GLY A 68 2.589 12.890 -8.443 1.00 62.11 O ATOM 0 H GLY A 68 -0.662 11.795 -7.488 1.00 72.01 H new ATOM 0 HA2 GLY A 68 0.259 13.903 -8.407 1.00 11.22 H new ATOM 0 HA3 GLY A 68 0.643 14.351 -6.757 1.00 11.22 H new ATOM 1124 N GLN A 69 1.993 11.832 -6.562 1.00 41.12 N ATOM 1125 CA GLN A 69 3.147 10.974 -6.519 1.00 61.43 C ATOM 1126 C GLN A 69 2.912 9.763 -7.393 1.00 50.13 C ATOM 1127 O GLN A 69 2.773 8.641 -6.910 1.00 54.20 O ATOM 1128 CB GLN A 69 3.393 10.529 -5.102 1.00 33.13 C ATOM 1129 CG GLN A 69 3.693 11.646 -4.142 1.00 44.20 C ATOM 1130 CD GLN A 69 5.001 12.293 -4.407 1.00 3.15 C ATOM 1131 OE1 GLN A 69 6.032 11.843 -3.915 1.00 51.13 O ATOM 1132 NE2 GLN A 69 4.980 13.382 -5.078 1.00 2.14 N ATOM 0 H GLN A 69 1.341 11.686 -5.791 1.00 41.12 H new ATOM 0 HA GLN A 69 4.016 11.521 -6.884 1.00 61.43 H new ATOM 0 HB2 GLN A 69 2.516 9.987 -4.747 1.00 33.13 H new ATOM 0 HB3 GLN A 69 4.226 9.826 -5.094 1.00 33.13 H new ATOM 0 HG2 GLN A 69 2.903 12.394 -4.204 1.00 44.20 H new ATOM 0 HG3 GLN A 69 3.685 11.257 -3.124 1.00 44.20 H new ATOM 0 HE21 GLN A 69 4.102 13.722 -5.471 1.00 2.14 H new ATOM 0 HE22 GLN A 69 5.841 13.910 -5.220 1.00 2.14 H new ATOM 1141 N GLU A 70 2.870 9.995 -8.675 1.00 10.35 N ATOM 1142 CA GLU A 70 2.575 8.966 -9.657 1.00 24.52 C ATOM 1143 C GLU A 70 3.700 7.941 -9.737 1.00 61.11 C ATOM 1144 O GLU A 70 3.509 6.821 -10.226 1.00 14.52 O ATOM 1145 CB GLU A 70 2.313 9.618 -10.994 1.00 64.35 C ATOM 1146 CG GLU A 70 1.164 10.607 -10.929 1.00 22.31 C ATOM 1147 CD GLU A 70 1.019 11.412 -12.174 1.00 43.12 C ATOM 1148 OE1 GLU A 70 1.676 12.458 -12.285 1.00 30.30 O ATOM 1149 OE2 GLU A 70 0.240 11.031 -13.054 1.00 15.40 O ATOM 0 H GLU A 70 3.041 10.914 -9.082 1.00 10.35 H new ATOM 0 HA GLU A 70 1.681 8.422 -9.352 1.00 24.52 H new ATOM 0 HB2 GLU A 70 3.214 10.131 -11.330 1.00 64.35 H new ATOM 0 HB3 GLU A 70 2.089 8.850 -11.734 1.00 64.35 H new ATOM 0 HG2 GLU A 70 0.236 10.066 -10.742 1.00 22.31 H new ATOM 0 HG3 GLU A 70 1.317 11.279 -10.084 1.00 22.31 H new ATOM 1156 N ASP A 71 4.855 8.334 -9.260 1.00 14.02 N ATOM 1157 CA ASP A 71 5.999 7.454 -9.166 1.00 31.15 C ATOM 1158 C ASP A 71 5.719 6.405 -8.095 1.00 71.34 C ATOM 1159 O ASP A 71 5.792 5.200 -8.356 1.00 51.44 O ATOM 1160 CB ASP A 71 7.249 8.267 -8.835 1.00 65.22 C ATOM 1161 CG ASP A 71 8.522 7.471 -8.880 1.00 44.31 C ATOM 1162 OD1 ASP A 71 8.632 6.553 -9.707 1.00 24.41 O ATOM 1163 OD2 ASP A 71 9.478 7.814 -8.146 1.00 41.42 O ATOM 0 H ASP A 71 5.032 9.280 -8.923 1.00 14.02 H new ATOM 0 HA ASP A 71 6.173 6.950 -10.117 1.00 31.15 H new ATOM 0 HB2 ASP A 71 7.326 9.098 -9.536 1.00 65.22 H new ATOM 0 HB3 ASP A 71 7.137 8.699 -7.840 1.00 65.22 H new ATOM 1168 N LEU A 72 5.304 6.874 -6.912 1.00 71.34 N ATOM 1169 CA LEU A 72 4.917 5.986 -5.805 1.00 52.33 C ATOM 1170 C LEU A 72 3.757 5.094 -6.211 1.00 74.13 C ATOM 1171 O LEU A 72 3.708 3.910 -5.865 1.00 71.03 O ATOM 1172 CB LEU A 72 4.503 6.779 -4.552 1.00 54.12 C ATOM 1173 CG LEU A 72 5.596 7.542 -3.811 1.00 64.23 C ATOM 1174 CD1 LEU A 72 5.002 8.314 -2.648 1.00 2.30 C ATOM 1175 CD2 LEU A 72 6.651 6.588 -3.301 1.00 52.33 C ATOM 0 H LEU A 72 5.227 7.868 -6.695 1.00 71.34 H new ATOM 0 HA LEU A 72 5.793 5.381 -5.570 1.00 52.33 H new ATOM 0 HB2 LEU A 72 3.733 7.493 -4.844 1.00 54.12 H new ATOM 0 HB3 LEU A 72 4.043 6.084 -3.850 1.00 54.12 H new ATOM 0 HG LEU A 72 6.057 8.243 -4.507 1.00 64.23 H new ATOM 0 HD11 LEU A 72 5.793 8.854 -2.128 1.00 2.30 H new ATOM 0 HD12 LEU A 72 4.263 9.023 -3.021 1.00 2.30 H new ATOM 0 HD13 LEU A 72 4.522 7.620 -1.958 1.00 2.30 H new ATOM 0 HD21 LEU A 72 7.424 7.148 -2.775 1.00 52.33 H new ATOM 0 HD22 LEU A 72 6.194 5.871 -2.619 1.00 52.33 H new ATOM 0 HD23 LEU A 72 7.097 6.056 -4.141 1.00 52.33 H new ATOM 1187 N LEU A 73 2.839 5.658 -6.967 1.00 12.43 N ATOM 1188 CA LEU A 73 1.649 4.942 -7.402 1.00 2.01 C ATOM 1189 C LEU A 73 1.998 3.827 -8.388 1.00 51.02 C ATOM 1190 O LEU A 73 1.280 2.833 -8.501 1.00 54.15 O ATOM 1191 CB LEU A 73 0.619 5.911 -7.995 1.00 55.33 C ATOM 1192 CG LEU A 73 0.178 7.050 -7.063 1.00 14.14 C ATOM 1193 CD1 LEU A 73 -0.867 7.934 -7.706 1.00 4.12 C ATOM 1194 CD2 LEU A 73 -0.315 6.518 -5.730 1.00 61.43 C ATOM 0 H LEU A 73 2.892 6.621 -7.298 1.00 12.43 H new ATOM 0 HA LEU A 73 1.202 4.471 -6.527 1.00 2.01 H new ATOM 0 HB2 LEU A 73 1.035 6.347 -8.903 1.00 55.33 H new ATOM 0 HB3 LEU A 73 -0.263 5.342 -8.290 1.00 55.33 H new ATOM 0 HG LEU A 73 1.060 7.664 -6.877 1.00 14.14 H new ATOM 0 HD11 LEU A 73 -1.150 8.726 -7.013 1.00 4.12 H new ATOM 0 HD12 LEU A 73 -0.460 8.376 -8.615 1.00 4.12 H new ATOM 0 HD13 LEU A 73 -1.745 7.338 -7.954 1.00 4.12 H new ATOM 0 HD21 LEU A 73 -0.619 7.351 -5.096 1.00 61.43 H new ATOM 0 HD22 LEU A 73 -1.166 5.858 -5.894 1.00 61.43 H new ATOM 0 HD23 LEU A 73 0.486 5.963 -5.241 1.00 61.43 H new ATOM 1206 N SER A 74 3.109 3.974 -9.073 1.00 11.35 N ATOM 1207 CA SER A 74 3.558 2.956 -9.981 1.00 54.03 C ATOM 1208 C SER A 74 4.282 1.862 -9.189 1.00 54.33 C ATOM 1209 O SER A 74 4.024 0.667 -9.385 1.00 24.43 O ATOM 1210 CB SER A 74 4.455 3.554 -11.079 1.00 65.31 C ATOM 1211 OG SER A 74 4.800 2.578 -12.061 1.00 64.40 O ATOM 0 H SER A 74 3.716 4.792 -9.015 1.00 11.35 H new ATOM 0 HA SER A 74 2.699 2.512 -10.485 1.00 54.03 H new ATOM 0 HB2 SER A 74 3.940 4.387 -11.558 1.00 65.31 H new ATOM 0 HB3 SER A 74 5.363 3.956 -10.630 1.00 65.31 H new ATOM 0 HG SER A 74 5.369 2.989 -12.745 1.00 64.40 H new ATOM 1217 N GLU A 75 5.137 2.272 -8.243 1.00 51.30 N ATOM 1218 CA GLU A 75 5.875 1.324 -7.408 1.00 43.52 C ATOM 1219 C GLU A 75 4.928 0.496 -6.543 1.00 23.54 C ATOM 1220 O GLU A 75 5.235 -0.643 -6.195 1.00 33.33 O ATOM 1221 CB GLU A 75 6.904 2.025 -6.530 1.00 21.11 C ATOM 1222 CG GLU A 75 7.985 2.755 -7.297 1.00 60.24 C ATOM 1223 CD GLU A 75 9.030 3.346 -6.389 1.00 42.41 C ATOM 1224 OE1 GLU A 75 8.830 4.446 -5.870 1.00 51.21 O ATOM 1225 OE2 GLU A 75 10.096 2.710 -6.185 1.00 25.44 O ATOM 0 H GLU A 75 5.332 3.252 -8.039 1.00 51.30 H new ATOM 0 HA GLU A 75 6.406 0.655 -8.085 1.00 43.52 H new ATOM 0 HB2 GLU A 75 6.389 2.737 -5.885 1.00 21.11 H new ATOM 0 HB3 GLU A 75 7.372 1.286 -5.879 1.00 21.11 H new ATOM 0 HG2 GLU A 75 8.461 2.066 -7.995 1.00 60.24 H new ATOM 0 HG3 GLU A 75 7.533 3.549 -7.892 1.00 60.24 H new ATOM 1232 N PHE A 76 3.784 1.078 -6.198 1.00 75.05 N ATOM 1233 CA PHE A 76 2.745 0.382 -5.448 1.00 44.40 C ATOM 1234 C PHE A 76 2.240 -0.792 -6.261 1.00 75.10 C ATOM 1235 O PHE A 76 2.158 -1.902 -5.753 1.00 64.12 O ATOM 1236 CB PHE A 76 1.605 1.348 -5.091 1.00 63.21 C ATOM 1237 CG PHE A 76 0.581 0.776 -4.152 1.00 72.34 C ATOM 1238 CD1 PHE A 76 0.966 0.210 -2.944 1.00 62.35 C ATOM 1239 CD2 PHE A 76 -0.763 0.819 -4.467 1.00 55.31 C ATOM 1240 CE1 PHE A 76 0.030 -0.303 -2.072 1.00 62.02 C ATOM 1241 CE2 PHE A 76 -1.705 0.307 -3.598 1.00 35.52 C ATOM 1242 CZ PHE A 76 -1.306 -0.257 -2.397 1.00 31.54 C ATOM 0 H PHE A 76 3.551 2.044 -6.430 1.00 75.05 H new ATOM 0 HA PHE A 76 3.159 0.004 -4.513 1.00 44.40 H new ATOM 0 HB2 PHE A 76 2.032 2.245 -4.642 1.00 63.21 H new ATOM 0 HB3 PHE A 76 1.106 1.658 -6.009 1.00 63.21 H new ATOM 0 HD1 PHE A 76 2.014 0.171 -2.684 1.00 62.35 H new ATOM 0 HD2 PHE A 76 -1.080 1.257 -5.402 1.00 55.31 H new ATOM 0 HE1 PHE A 76 0.345 -0.740 -1.136 1.00 62.02 H new ATOM 0 HE2 PHE A 76 -2.753 0.346 -3.854 1.00 35.52 H new ATOM 0 HZ PHE A 76 -2.042 -0.660 -1.717 1.00 31.54 H new ATOM 1252 N GLY A 77 1.985 -0.550 -7.541 1.00 53.44 N ATOM 1253 CA GLY A 77 1.544 -1.606 -8.429 1.00 64.43 C ATOM 1254 C GLY A 77 2.596 -2.692 -8.560 1.00 42.35 C ATOM 1255 O GLY A 77 2.282 -3.868 -8.497 1.00 65.31 O ATOM 0 H GLY A 77 2.077 0.366 -7.981 1.00 53.44 H new ATOM 0 HA2 GLY A 77 0.617 -2.038 -8.051 1.00 64.43 H new ATOM 0 HA3 GLY A 77 1.324 -1.189 -9.412 1.00 64.43 H new ATOM 1259 N GLN A 78 3.854 -2.270 -8.687 1.00 21.23 N ATOM 1260 CA GLN A 78 5.002 -3.183 -8.816 1.00 45.21 C ATOM 1261 C GLN A 78 5.200 -4.033 -7.553 1.00 60.14 C ATOM 1262 O GLN A 78 5.669 -5.172 -7.619 1.00 4.32 O ATOM 1263 CB GLN A 78 6.279 -2.385 -9.103 1.00 1.04 C ATOM 1264 CG GLN A 78 6.238 -1.585 -10.397 1.00 73.23 C ATOM 1265 CD GLN A 78 6.134 -2.458 -11.630 1.00 21.21 C ATOM 1266 OE1 GLN A 78 5.042 -2.788 -12.092 1.00 2.13 O ATOM 1267 NE2 GLN A 78 7.262 -2.840 -12.169 1.00 70.52 N ATOM 0 H GLN A 78 4.112 -1.283 -8.704 1.00 21.23 H new ATOM 0 HA GLN A 78 4.793 -3.857 -9.647 1.00 45.21 H new ATOM 0 HB2 GLN A 78 6.462 -1.703 -8.273 1.00 1.04 H new ATOM 0 HB3 GLN A 78 7.123 -3.073 -9.141 1.00 1.04 H new ATOM 0 HG2 GLN A 78 5.388 -0.903 -10.369 1.00 73.23 H new ATOM 0 HG3 GLN A 78 7.137 -0.972 -10.467 1.00 73.23 H new ATOM 0 HE21 GLN A 78 8.148 -2.547 -11.758 1.00 70.52 H new ATOM 0 HE22 GLN A 78 7.256 -3.431 -13.000 1.00 70.52 H new ATOM 1276 N PHE A 79 4.883 -3.460 -6.416 1.00 41.23 N ATOM 1277 CA PHE A 79 4.967 -4.148 -5.135 1.00 11.30 C ATOM 1278 C PHE A 79 3.840 -5.175 -4.996 1.00 33.21 C ATOM 1279 O PHE A 79 4.048 -6.296 -4.515 1.00 10.31 O ATOM 1280 CB PHE A 79 4.912 -3.107 -3.988 1.00 63.24 C ATOM 1281 CG PHE A 79 4.668 -3.671 -2.610 1.00 62.31 C ATOM 1282 CD1 PHE A 79 5.651 -4.382 -1.941 1.00 35.10 C ATOM 1283 CD2 PHE A 79 3.438 -3.493 -1.991 1.00 21.50 C ATOM 1284 CE1 PHE A 79 5.411 -4.900 -0.685 1.00 30.12 C ATOM 1285 CE2 PHE A 79 3.196 -4.008 -0.737 1.00 35.52 C ATOM 1286 CZ PHE A 79 4.183 -4.714 -0.083 1.00 31.43 C ATOM 0 H PHE A 79 4.556 -2.496 -6.346 1.00 41.23 H new ATOM 0 HA PHE A 79 5.912 -4.688 -5.079 1.00 11.30 H new ATOM 0 HB2 PHE A 79 5.853 -2.557 -3.975 1.00 63.24 H new ATOM 0 HB3 PHE A 79 4.125 -2.387 -4.212 1.00 63.24 H new ATOM 0 HD1 PHE A 79 6.614 -4.532 -2.407 1.00 35.10 H new ATOM 0 HD2 PHE A 79 2.660 -2.943 -2.500 1.00 21.50 H new ATOM 0 HE1 PHE A 79 6.185 -5.452 -0.172 1.00 30.12 H new ATOM 0 HE2 PHE A 79 2.235 -3.859 -0.267 1.00 35.52 H new ATOM 0 HZ PHE A 79 3.996 -5.121 0.900 1.00 31.43 H new ATOM 1296 N LEU A 80 2.681 -4.794 -5.447 1.00 25.41 N ATOM 1297 CA LEU A 80 1.482 -5.590 -5.328 1.00 25.32 C ATOM 1298 C LEU A 80 1.448 -6.789 -6.270 1.00 3.14 C ATOM 1299 O LEU A 80 2.187 -6.849 -7.262 1.00 22.25 O ATOM 1300 CB LEU A 80 0.269 -4.710 -5.569 1.00 4.51 C ATOM 1301 CG LEU A 80 -0.033 -3.691 -4.499 1.00 3.24 C ATOM 1302 CD1 LEU A 80 -1.094 -2.758 -4.991 1.00 11.15 C ATOM 1303 CD2 LEU A 80 -0.486 -4.382 -3.230 1.00 43.45 C ATOM 0 H LEU A 80 2.534 -3.902 -5.919 1.00 25.41 H new ATOM 0 HA LEU A 80 1.472 -5.996 -4.317 1.00 25.32 H new ATOM 0 HB2 LEU A 80 0.408 -4.185 -6.514 1.00 4.51 H new ATOM 0 HB3 LEU A 80 -0.603 -5.353 -5.687 1.00 4.51 H new ATOM 0 HG LEU A 80 0.870 -3.123 -4.275 1.00 3.24 H new ATOM 0 HD11 LEU A 80 -1.315 -2.020 -4.220 1.00 11.15 H new ATOM 0 HD12 LEU A 80 -0.744 -2.250 -5.890 1.00 11.15 H new ATOM 0 HD13 LEU A 80 -1.997 -3.323 -5.222 1.00 11.15 H new ATOM 0 HD21 LEU A 80 -0.701 -3.635 -2.466 1.00 43.45 H new ATOM 0 HD22 LEU A 80 -1.386 -4.962 -3.433 1.00 43.45 H new ATOM 0 HD23 LEU A 80 0.302 -5.047 -2.876 1.00 43.45 H new ATOM 1315 N PRO A 81 0.649 -7.805 -5.913 1.00 61.01 N ATOM 1316 CA PRO A 81 0.383 -8.953 -6.775 1.00 2.12 C ATOM 1317 C PRO A 81 -0.316 -8.500 -8.050 1.00 31.22 C ATOM 1318 O PRO A 81 -1.224 -7.645 -7.992 1.00 64.21 O ATOM 1319 CB PRO A 81 -0.571 -9.818 -5.938 1.00 31.34 C ATOM 1320 CG PRO A 81 -1.109 -8.898 -4.891 1.00 13.24 C ATOM 1321 CD PRO A 81 -0.030 -7.926 -4.614 1.00 21.11 C ATOM 0 HA PRO A 81 1.289 -9.478 -7.076 1.00 2.12 H new ATOM 0 HB2 PRO A 81 -1.372 -10.229 -6.552 1.00 31.34 H new ATOM 0 HB3 PRO A 81 -0.048 -10.663 -5.490 1.00 31.34 H new ATOM 0 HG2 PRO A 81 -2.010 -8.393 -5.240 1.00 13.24 H new ATOM 0 HG3 PRO A 81 -1.381 -9.448 -3.990 1.00 13.24 H new ATOM 0 HD2 PRO A 81 -0.426 -6.969 -4.275 1.00 21.11 H new ATOM 0 HD3 PRO A 81 0.646 -8.284 -3.837 1.00 21.11 H new ATOM 1329 N GLU A 82 0.089 -9.068 -9.189 1.00 52.13 N ATOM 1330 CA GLU A 82 -0.452 -8.679 -10.487 1.00 25.31 C ATOM 1331 C GLU A 82 -0.139 -7.213 -10.754 1.00 41.24 C ATOM 1332 O GLU A 82 -1.028 -6.361 -10.822 1.00 34.12 O ATOM 1333 CB GLU A 82 -1.957 -8.996 -10.644 1.00 22.44 C ATOM 1334 CG GLU A 82 -2.307 -10.482 -10.771 1.00 44.34 C ATOM 1335 CD GLU A 82 -1.872 -11.341 -9.608 1.00 73.41 C ATOM 1336 OE1 GLU A 82 -2.644 -11.496 -8.647 1.00 65.42 O ATOM 1337 OE2 GLU A 82 -0.750 -11.904 -9.639 1.00 21.44 O ATOM 0 H GLU A 82 0.795 -9.803 -9.234 1.00 52.13 H new ATOM 0 HA GLU A 82 0.040 -9.287 -11.246 1.00 25.31 H new ATOM 0 HB2 GLU A 82 -2.488 -8.587 -9.784 1.00 22.44 H new ATOM 0 HB3 GLU A 82 -2.330 -8.476 -11.526 1.00 22.44 H new ATOM 0 HG2 GLU A 82 -3.386 -10.577 -10.890 1.00 44.34 H new ATOM 0 HG3 GLU A 82 -1.851 -10.871 -11.681 1.00 44.34 H new ATOM 1344 N ALA A 83 1.153 -6.945 -10.812 1.00 14.02 N ATOM 1345 CA ALA A 83 1.751 -5.612 -10.927 1.00 13.43 C ATOM 1346 C ALA A 83 1.152 -4.742 -12.030 1.00 21.55 C ATOM 1347 O ALA A 83 1.126 -3.517 -11.911 1.00 54.24 O ATOM 1348 CB ALA A 83 3.252 -5.749 -11.132 1.00 13.54 C ATOM 0 H ALA A 83 1.856 -7.684 -10.779 1.00 14.02 H new ATOM 0 HA ALA A 83 1.527 -5.096 -9.993 1.00 13.43 H new ATOM 0 HB1 ALA A 83 3.699 -4.759 -11.218 1.00 13.54 H new ATOM 0 HB2 ALA A 83 3.689 -6.272 -10.282 1.00 13.54 H new ATOM 0 HB3 ALA A 83 3.445 -6.314 -12.044 1.00 13.54 H new ATOM 1354 N LYS A 84 0.681 -5.357 -13.087 1.00 2.10 N ATOM 1355 CA LYS A 84 0.133 -4.622 -14.208 1.00 30.41 C ATOM 1356 C LYS A 84 -1.379 -4.420 -14.070 1.00 42.52 C ATOM 1357 O LYS A 84 -1.971 -3.567 -14.731 1.00 4.40 O ATOM 1358 CB LYS A 84 0.461 -5.353 -15.483 1.00 74.31 C ATOM 1359 CG LYS A 84 1.929 -5.675 -15.595 1.00 73.12 C ATOM 1360 CD LYS A 84 2.240 -6.381 -16.882 1.00 54.04 C ATOM 1361 CE LYS A 84 3.694 -6.836 -16.930 1.00 45.41 C ATOM 1362 NZ LYS A 84 4.650 -5.708 -16.844 1.00 51.20 N ATOM 0 H LYS A 84 0.665 -6.371 -13.198 1.00 2.10 H new ATOM 0 HA LYS A 84 0.584 -3.630 -14.228 1.00 30.41 H new ATOM 0 HB2 LYS A 84 -0.116 -6.277 -15.529 1.00 74.31 H new ATOM 0 HB3 LYS A 84 0.158 -4.746 -16.336 1.00 74.31 H new ATOM 0 HG2 LYS A 84 2.510 -4.755 -15.534 1.00 73.12 H new ATOM 0 HG3 LYS A 84 2.231 -6.299 -14.754 1.00 73.12 H new ATOM 0 HD2 LYS A 84 1.583 -7.244 -16.993 1.00 54.04 H new ATOM 0 HD3 LYS A 84 2.037 -5.716 -17.722 1.00 54.04 H new ATOM 0 HE2 LYS A 84 3.881 -7.528 -16.109 1.00 45.41 H new ATOM 0 HE3 LYS A 84 3.868 -7.385 -17.856 1.00 45.41 H new ATOM 0 HZ1 LYS A 84 5.616 -6.059 -17.000 1.00 51.20 H new ATOM 0 HZ2 LYS A 84 4.418 -5.000 -17.570 1.00 51.20 H new ATOM 0 HZ3 LYS A 84 4.588 -5.272 -15.902 1.00 51.20 H new ATOM 1376 N ARG A 85 -1.993 -5.187 -13.203 1.00 1.25 N ATOM 1377 CA ARG A 85 -3.441 -5.136 -13.002 1.00 54.43 C ATOM 1378 C ARG A 85 -3.774 -4.383 -11.728 1.00 51.34 C ATOM 1379 O ARG A 85 -2.909 -3.687 -11.175 1.00 23.33 O ATOM 1380 CB ARG A 85 -4.023 -6.549 -12.947 1.00 63.12 C ATOM 1381 CG ARG A 85 -3.845 -7.324 -14.234 1.00 54.24 C ATOM 1382 CD ARG A 85 -4.322 -8.765 -14.130 1.00 13.03 C ATOM 1383 NE ARG A 85 -4.189 -9.434 -15.430 1.00 63.24 N ATOM 1384 CZ ARG A 85 -3.701 -10.663 -15.650 1.00 71.44 C ATOM 1385 NH1 ARG A 85 -3.437 -11.493 -14.640 1.00 61.14 N ATOM 1386 NH2 ARG A 85 -3.523 -11.073 -16.899 1.00 14.43 N ATOM 0 H ARG A 85 -1.514 -5.867 -12.612 1.00 1.25 H new ATOM 0 HA ARG A 85 -3.886 -4.608 -13.845 1.00 54.43 H new ATOM 0 HB2 ARG A 85 -3.549 -7.097 -12.133 1.00 63.12 H new ATOM 0 HB3 ARG A 85 -5.086 -6.487 -12.713 1.00 63.12 H new ATOM 0 HG2 ARG A 85 -4.392 -6.823 -15.032 1.00 54.24 H new ATOM 0 HG3 ARG A 85 -2.792 -7.315 -14.515 1.00 54.24 H new ATOM 0 HD2 ARG A 85 -3.739 -9.296 -13.377 1.00 13.03 H new ATOM 0 HD3 ARG A 85 -5.362 -8.790 -13.804 1.00 13.03 H new ATOM 0 HE ARG A 85 -4.499 -8.911 -16.249 1.00 63.24 H new ATOM 0 HH11 ARG A 85 -3.606 -11.197 -13.679 1.00 61.14 H new ATOM 0 HH12 ARG A 85 -3.066 -12.424 -14.829 1.00 61.14 H new ATOM 0 HH21 ARG A 85 -3.757 -10.456 -17.677 1.00 14.43 H new ATOM 0 HH22 ARG A 85 -3.152 -12.006 -17.082 1.00 14.43 H new TER 1400 ARG A 85