USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 936 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 89 SER OG : rot -170:sc= -0.8 USER MOD Set 1.2: A 114 GLN :FLIP amide:sc= -0.422 F(o=-2.5,f=-1.2) USER MOD Set 2.1: A 94 HIS : no HD1:sc= -3.36 K(o=-2.8,f=-3.5) USER MOD Set 2.2: A 104 TYR OH : rot 179:sc= 0.569 USER MOD Set 3.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 144 HIS : no HD1:sc= 0 X(o=0,f=0.44) USER MOD Set 4.1: A 85 GLN : amide:sc= -2.97 X(o=-4.2,f=-4.4!) USER MOD Set 4.2: A 148 THR OG1 : rot 180:sc= -1.27! USER MOD Set 5.1: A 52 GLN : amide:sc= -0.056 K(o=0.96,f=-0.55!) USER MOD Set 5.2: A 53 SER OG : rot 99:sc= 1.01 USER MOD Set 6.1: A 42 ASN : amide:sc= 0.22 X(o=-0.83,f=-1.2) USER MOD Set 6.2: A 47 ASN : amide:sc= -1.05 X(o=-0.83,f=-1.1) USER MOD Set 7.1: A 16 GLN : amide:sc= -3.3! C(o=-5.5!,f=-7.2!) USER MOD Set 7.2: A 36 HIS : no HD1:sc= -2.23 K(o=-5.5,f=-7.9) USER MOD Single : A 1 CYS N :NH3+ -117:sc= 0.129 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0016 F(o=-1.1,f=-0.0016) USER MOD Single : A 11 THR OG1 : rot -23:sc= 0.641 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -125:sc= -0.0331 (180deg=-0.0625) USER MOD Single : A 18 SER OG : rot 19:sc= 0.987 USER MOD Single : A 20 SER OG : rot -98:sc= 0.044 USER MOD Single : A 21 SER OG : rot 147:sc= -1.66 USER MOD Single : A 22 SER OG : rot -142:sc= 1.8 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.81) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 123:sc= -2.32! USER MOD Single : A 54 ASN :FLIP amide:sc= -2.49 F(o=-3.5,f=-2.5) USER MOD Single : A 55 SER OG : rot 63:sc= 1.32 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.177 F(o=-0.88,f=-0.18) USER MOD Single : A 66 THR OG1 : rot -32:sc= 0.676 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 GLN : amide:sc=-0.00215 K(o=-0.0022,f=-0.66) USER MOD Single : A 71 THR OG1 : rot -176:sc= -0.428 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.066 USER MOD Single : A 91 LYS NZ :NH3+ 151:sc= -0.105 (180deg=-0.609) USER MOD Single : A 95 SER OG : rot 76:sc= 0.653 USER MOD Single : A 100 GLN : amide:sc= 0.0179 X(o=0.018,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.078) USER MOD Single : A 119 ASN : amide:sc= -0.965 K(o=-0.96,f=-2.2) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-3.2) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -149:sc= -0.284 (180deg=-1.42!) USER MOD Single : A 135 TYR OH : rot 180:sc= -0.723 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -1.91 K(o=-1.9,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 3.046 14.989 -14.391 1.00 62.33 N ATOM 75 CA CYS A 1 2.757 14.278 -13.152 1.00 30.41 C ATOM 76 C CYS A 1 3.024 12.783 -13.308 1.00 62.51 C ATOM 77 O CYS A 1 3.486 12.331 -14.355 1.00 45.43 O ATOM 78 CB CYS A 1 1.304 14.506 -12.734 1.00 61.35 C ATOM 79 SG CYS A 1 1.002 16.119 -11.941 1.00 4.43 S ATOM 0 H1 CYS A 1 3.823 15.662 -14.232 1.00 62.33 H new ATOM 0 H2 CYS A 1 3.323 14.307 -15.126 1.00 62.33 H new ATOM 0 H3 CYS A 1 2.198 15.506 -14.701 1.00 62.33 H new ATOM 0 HA CYS A 1 3.416 14.669 -12.377 1.00 30.41 H new ATOM 0 HB2 CYS A 1 0.666 14.421 -13.614 1.00 61.35 H new ATOM 0 HB3 CYS A 1 1.006 13.714 -12.047 1.00 61.35 H new ATOM 83 N SER A 2 2.728 12.022 -12.260 1.00 32.32 N ATOM 84 CA SER A 2 2.938 10.579 -12.278 1.00 4.01 C ATOM 85 C SER A 2 4.420 10.248 -12.426 1.00 53.33 C ATOM 86 O SER A 2 4.878 9.871 -13.504 1.00 41.33 O ATOM 87 CB SER A 2 2.145 9.942 -13.421 1.00 30.45 C ATOM 88 OG SER A 2 0.928 10.632 -13.644 1.00 14.41 O ATOM 0 H SER A 2 2.342 12.381 -11.387 1.00 32.32 H new ATOM 0 HA SER A 2 2.586 10.173 -11.330 1.00 4.01 H new ATOM 0 HB2 SER A 2 2.744 9.950 -14.332 1.00 30.45 H new ATOM 0 HB3 SER A 2 1.937 8.898 -13.186 1.00 30.45 H new ATOM 0 HG SER A 2 0.441 10.206 -14.380 1.00 14.41 H new ATOM 93 N GLU A 3 5.164 10.393 -11.334 1.00 11.43 N ATOM 94 CA GLU A 3 6.595 10.111 -11.343 1.00 52.22 C ATOM 95 C GLU A 3 6.982 9.223 -10.163 1.00 41.11 C ATOM 96 O GLU A 3 6.330 9.217 -9.119 1.00 70.23 O ATOM 97 CB GLU A 3 7.395 11.414 -11.298 1.00 52.12 C ATOM 98 CG GLU A 3 6.868 12.485 -12.238 1.00 53.01 C ATOM 99 CD GLU A 3 7.009 12.101 -13.697 1.00 50.32 C ATOM 100 OE1 GLU A 3 7.816 11.196 -13.997 1.00 11.21 O ATOM 101 OE2 GLU A 3 6.314 12.706 -14.541 1.00 22.10 O ATOM 0 H GLU A 3 4.800 10.704 -10.433 1.00 11.43 H new ATOM 0 HA GLU A 3 6.829 9.581 -12.267 1.00 52.22 H new ATOM 0 HB2 GLU A 3 7.386 11.801 -10.279 1.00 52.12 H new ATOM 0 HB3 GLU A 3 8.434 11.201 -11.549 1.00 52.12 H new ATOM 0 HG2 GLU A 3 5.818 12.673 -12.016 1.00 53.01 H new ATOM 0 HG3 GLU A 3 7.404 13.417 -12.058 1.00 53.01 H new ATOM 106 N PRO A 4 8.067 8.454 -10.332 1.00 3.51 N ATOM 107 CA PRO A 4 8.566 7.548 -9.294 1.00 50.11 C ATOM 108 C PRO A 4 9.161 8.298 -8.108 1.00 25.35 C ATOM 109 O PRO A 4 8.970 9.506 -7.964 1.00 71.02 O ATOM 110 CB PRO A 4 9.648 6.742 -10.016 1.00 2.04 C ATOM 111 CG PRO A 4 10.103 7.626 -11.125 1.00 51.34 C ATOM 112 CD PRO A 4 8.892 8.410 -11.552 1.00 13.41 C ATOM 0 HA PRO A 4 7.770 6.934 -8.871 1.00 50.11 H new ATOM 0 HB2 PRO A 4 10.470 6.494 -9.345 1.00 2.04 H new ATOM 0 HB3 PRO A 4 9.252 5.801 -10.397 1.00 2.04 H new ATOM 0 HG2 PRO A 4 10.901 8.290 -10.793 1.00 51.34 H new ATOM 0 HG3 PRO A 4 10.501 7.040 -11.953 1.00 51.34 H new ATOM 0 HD2 PRO A 4 9.160 9.410 -11.892 1.00 13.41 H new ATOM 0 HD3 PRO A 4 8.368 7.923 -12.374 1.00 13.41 H new ATOM 117 N LEU A 5 9.885 7.575 -7.260 1.00 20.41 N ATOM 118 CA LEU A 5 10.510 8.173 -6.085 1.00 10.31 C ATOM 119 C LEU A 5 12.017 7.937 -6.091 1.00 24.44 C ATOM 120 O LEU A 5 12.735 8.419 -5.216 1.00 34.42 O ATOM 121 CB LEU A 5 9.897 7.596 -4.808 1.00 75.23 C ATOM 122 CG LEU A 5 9.653 6.087 -4.802 1.00 63.42 C ATOM 123 CD1 LEU A 5 8.443 5.738 -5.655 1.00 41.02 C ATOM 124 CD2 LEU A 5 10.887 5.345 -5.294 1.00 43.34 C ATOM 0 H LEU A 5 10.054 6.574 -7.364 1.00 20.41 H new ATOM 0 HA LEU A 5 10.329 9.247 -6.114 1.00 10.31 H new ATOM 0 HB2 LEU A 5 10.552 7.841 -3.972 1.00 75.23 H new ATOM 0 HB3 LEU A 5 8.947 8.098 -4.626 1.00 75.23 H new ATOM 0 HG LEU A 5 9.451 5.775 -3.777 1.00 63.42 H new ATOM 0 HD11 LEU A 5 8.285 4.660 -5.639 1.00 41.02 H new ATOM 0 HD12 LEU A 5 7.561 6.240 -5.258 1.00 41.02 H new ATOM 0 HD13 LEU A 5 8.615 6.064 -6.681 1.00 41.02 H new ATOM 0 HD21 LEU A 5 10.695 4.272 -5.283 1.00 43.34 H new ATOM 0 HD22 LEU A 5 11.121 5.661 -6.311 1.00 43.34 H new ATOM 0 HD23 LEU A 5 11.731 5.569 -4.641 1.00 43.34 H new ATOM 135 N GLY A 6 12.491 7.192 -7.085 1.00 25.43 N ATOM 136 CA GLY A 6 13.910 6.906 -7.187 1.00 63.32 C ATOM 137 C GLY A 6 14.264 6.183 -8.471 1.00 11.33 C ATOM 138 O GLY A 6 15.098 5.275 -8.472 1.00 71.21 O ATOM 0 H GLY A 6 11.917 6.781 -7.822 1.00 25.43 H new ATOM 0 HA2 GLY A 6 14.471 7.839 -7.133 1.00 63.32 H new ATOM 0 HA3 GLY A 6 14.218 6.299 -6.335 1.00 63.32 H new ATOM 142 N LEU A 7 13.631 6.583 -9.568 1.00 12.10 N ATOM 143 CA LEU A 7 13.884 5.966 -10.866 1.00 71.02 C ATOM 144 C LEU A 7 14.135 7.027 -11.933 1.00 45.11 C ATOM 145 O LEU A 7 14.228 6.717 -13.122 1.00 72.43 O ATOM 146 CB LEU A 7 12.700 5.087 -11.273 1.00 32.33 C ATOM 147 CG LEU A 7 12.011 4.322 -10.142 1.00 54.21 C ATOM 148 CD1 LEU A 7 10.721 3.687 -10.635 1.00 43.25 C ATOM 149 CD2 LEU A 7 12.943 3.265 -9.568 1.00 3.31 C ATOM 0 H LEU A 7 12.939 7.332 -9.585 1.00 12.10 H new ATOM 0 HA LEU A 7 14.776 5.346 -10.779 1.00 71.02 H new ATOM 0 HB2 LEU A 7 11.958 5.717 -11.763 1.00 32.33 H new ATOM 0 HB3 LEU A 7 13.046 4.366 -12.014 1.00 32.33 H new ATOM 0 HG LEU A 7 11.764 5.028 -9.350 1.00 54.21 H new ATOM 0 HD11 LEU A 7 10.245 3.147 -9.816 1.00 43.25 H new ATOM 0 HD12 LEU A 7 10.048 4.464 -10.997 1.00 43.25 H new ATOM 0 HD13 LEU A 7 10.944 2.994 -11.446 1.00 43.25 H new ATOM 0 HD21 LEU A 7 12.436 2.731 -8.764 1.00 3.31 H new ATOM 0 HD22 LEU A 7 13.222 2.561 -10.352 1.00 3.31 H new ATOM 0 HD23 LEU A 7 13.840 3.745 -9.175 1.00 3.31 H new ATOM 160 N LYS A 8 14.246 8.278 -11.501 1.00 62.11 N ATOM 161 CA LYS A 8 14.490 9.386 -12.419 1.00 22.44 C ATOM 162 C LYS A 8 15.838 10.041 -12.133 1.00 64.31 C ATOM 163 O LYS A 8 16.794 9.868 -12.888 1.00 15.05 O ATOM 164 CB LYS A 8 13.372 10.424 -12.306 1.00 13.32 C ATOM 165 CG LYS A 8 13.589 11.648 -13.180 1.00 64.21 C ATOM 166 CD LYS A 8 12.316 12.041 -13.912 1.00 4.51 C ATOM 167 CE LYS A 8 12.406 13.455 -14.464 1.00 75.52 C ATOM 168 NZ LYS A 8 13.080 13.492 -15.791 1.00 1.32 N ATOM 0 H LYS A 8 14.171 8.551 -10.521 1.00 62.11 H new ATOM 0 HA LYS A 8 14.507 8.989 -13.434 1.00 22.44 H new ATOM 0 HB2 LYS A 8 12.425 9.957 -12.577 1.00 13.32 H new ATOM 0 HB3 LYS A 8 13.285 10.741 -11.267 1.00 13.32 H new ATOM 0 HG2 LYS A 8 13.928 12.481 -12.564 1.00 64.21 H new ATOM 0 HG3 LYS A 8 14.378 11.445 -13.904 1.00 64.21 H new ATOM 0 HD2 LYS A 8 12.133 11.342 -14.728 1.00 4.51 H new ATOM 0 HD3 LYS A 8 11.467 11.968 -13.233 1.00 4.51 H new ATOM 0 HE2 LYS A 8 11.404 13.874 -14.554 1.00 75.52 H new ATOM 0 HE3 LYS A 8 12.952 14.085 -13.762 1.00 75.52 H new ATOM 0 HZ1 LYS A 8 13.121 14.474 -16.132 1.00 1.32 H new ATOM 0 HZ2 LYS A 8 14.046 13.116 -15.701 1.00 1.32 H new ATOM 0 HZ3 LYS A 8 12.545 12.912 -16.468 1.00 1.32 H new ATOM 178 N ASN A 9 15.906 10.792 -11.039 1.00 72.20 N ATOM 179 CA ASN A 9 17.137 11.472 -10.654 1.00 50.42 C ATOM 180 C ASN A 9 17.543 11.098 -9.232 1.00 73.14 C ATOM 181 O ASN A 9 18.724 10.906 -8.943 1.00 73.23 O ATOM 182 CB ASN A 9 16.962 12.988 -10.764 1.00 41.31 C ATOM 183 CG ASN A 9 17.411 13.525 -12.110 1.00 41.22 C ATOM 184 OD1 ASN A 9 18.607 13.613 -12.389 1.00 70.15 O ATOM 185 ND2 ASN A 9 16.450 13.887 -12.953 1.00 71.20 N ATOM 0 H ASN A 9 15.123 10.945 -10.403 1.00 72.20 H new ATOM 0 HA ASN A 9 17.927 11.153 -11.334 1.00 50.42 H new ATOM 0 HB2 ASN A 9 15.914 13.243 -10.605 1.00 41.31 H new ATOM 0 HB3 ASN A 9 17.532 13.475 -9.973 1.00 41.31 H new ATOM 0 HD21 ASN A 9 16.691 14.255 -13.873 1.00 71.20 H new ATOM 0 HD22 ASN A 9 15.471 13.797 -12.680 1.00 71.20 H new ATOM 191 N ASN A 10 16.556 10.997 -8.347 1.00 42.13 N ATOM 192 CA ASN A 10 16.810 10.646 -6.955 1.00 3.01 C ATOM 193 C ASN A 10 17.535 9.306 -6.856 1.00 74.33 C ATOM 194 O ASN A 10 18.455 9.144 -6.054 1.00 31.14 O ATOM 195 CB ASN A 10 15.496 10.587 -6.174 1.00 52.43 C ATOM 196 CG ASN A 10 15.017 11.961 -5.745 1.00 32.11 C ATOM 197 OD1 ASN A 10 15.073 12.920 -6.661 1.00 51.14 O flip ATOM 198 ND2 ASN A 10 14.601 12.156 -4.603 1.00 13.31 N flip ATOM 0 H ASN A 10 15.573 11.153 -8.570 1.00 42.13 H new ATOM 0 HA ASN A 10 17.447 11.417 -6.522 1.00 3.01 H new ATOM 0 HB2 ASN A 10 14.731 10.114 -6.790 1.00 52.43 H new ATOM 0 HB3 ASN A 10 15.628 9.959 -5.293 1.00 52.43 H new ATOM 0 HD21 ASN A 10 14.576 11.389 -3.931 1.00 13.31 H new ATOM 0 HD22 ASN A 10 14.281 13.085 -4.328 1.00 13.31 H new ATOM 204 N THR A 11 17.112 8.349 -7.675 1.00 2.30 N ATOM 205 CA THR A 11 17.719 7.024 -7.680 1.00 24.51 C ATOM 206 C THR A 11 17.804 6.453 -6.268 1.00 40.42 C ATOM 207 O THR A 11 18.786 5.802 -5.910 1.00 72.03 O ATOM 208 CB THR A 11 19.131 7.054 -8.295 1.00 74.33 C ATOM 209 OG1 THR A 11 20.063 7.601 -7.354 1.00 23.12 O ATOM 210 CG2 THR A 11 19.147 7.882 -9.571 1.00 4.31 C ATOM 0 H THR A 11 16.351 8.467 -8.344 1.00 2.30 H new ATOM 0 HA THR A 11 17.079 6.386 -8.290 1.00 24.51 H new ATOM 0 HB THR A 11 19.419 6.032 -8.540 1.00 74.33 H new ATOM 0 HG1 THR A 11 19.584 8.156 -6.704 1.00 23.12 H new ATOM 0 HG21 THR A 11 20.154 7.889 -9.988 1.00 4.31 H new ATOM 0 HG22 THR A 11 18.458 7.448 -10.295 1.00 4.31 H new ATOM 0 HG23 THR A 11 18.840 8.903 -9.346 1.00 4.31 H new ATOM 218 N ILE A 12 16.769 6.701 -5.472 1.00 10.10 N ATOM 219 CA ILE A 12 16.727 6.210 -4.101 1.00 25.44 C ATOM 220 C ILE A 12 17.021 4.715 -4.042 1.00 5.54 C ATOM 221 O ILE A 12 16.478 3.919 -4.808 1.00 50.24 O ATOM 222 CB ILE A 12 15.358 6.477 -3.448 1.00 61.35 C ATOM 223 CG1 ILE A 12 15.026 7.969 -3.503 1.00 52.24 C ATOM 224 CG2 ILE A 12 15.350 5.979 -2.011 1.00 64.55 C ATOM 225 CD1 ILE A 12 16.069 8.845 -2.845 1.00 60.23 C ATOM 0 H ILE A 12 15.949 7.239 -5.753 1.00 10.10 H new ATOM 0 HA ILE A 12 17.496 6.752 -3.550 1.00 25.44 H new ATOM 0 HB ILE A 12 14.594 5.933 -4.004 1.00 61.35 H new ATOM 0 HG12 ILE A 12 14.915 8.270 -4.545 1.00 52.24 H new ATOM 0 HG13 ILE A 12 14.064 8.137 -3.019 1.00 52.24 H new ATOM 0 HG21 ILE A 12 14.376 6.175 -1.563 1.00 64.55 H new ATOM 0 HG22 ILE A 12 15.547 4.907 -1.996 1.00 64.55 H new ATOM 0 HG23 ILE A 12 16.122 6.498 -1.442 1.00 64.55 H new ATOM 0 HD11 ILE A 12 15.768 9.890 -2.922 1.00 60.23 H new ATOM 0 HD12 ILE A 12 16.164 8.571 -1.794 1.00 60.23 H new ATOM 0 HD13 ILE A 12 17.028 8.706 -3.344 1.00 60.23 H new ATOM 236 N PRO A 13 17.903 4.321 -3.111 1.00 23.34 N ATOM 237 CA PRO A 13 18.289 2.918 -2.929 1.00 41.21 C ATOM 238 C PRO A 13 17.156 2.076 -2.353 1.00 43.22 C ATOM 239 O PRO A 13 16.009 2.522 -2.287 1.00 12.44 O ATOM 240 CB PRO A 13 19.454 2.997 -1.939 1.00 62.14 C ATOM 241 CG PRO A 13 19.229 4.264 -1.189 1.00 62.42 C ATOM 242 CD PRO A 13 18.591 5.215 -2.164 1.00 5.21 C ATOM 0 HA PRO A 13 18.546 2.439 -3.874 1.00 41.21 H new ATOM 0 HB2 PRO A 13 19.463 2.137 -1.269 1.00 62.14 H new ATOM 0 HB3 PRO A 13 20.413 3.008 -2.457 1.00 62.14 H new ATOM 0 HG2 PRO A 13 18.583 4.098 -0.327 1.00 62.42 H new ATOM 0 HG3 PRO A 13 20.169 4.666 -0.810 1.00 62.42 H new ATOM 0 HD2 PRO A 13 17.893 5.890 -1.669 1.00 5.21 H new ATOM 0 HD3 PRO A 13 19.334 5.836 -2.665 1.00 5.21 H new ATOM 247 N ASP A 14 17.483 0.857 -1.939 1.00 72.22 N ATOM 248 CA ASP A 14 16.492 -0.048 -1.367 1.00 40.23 C ATOM 249 C ASP A 14 16.334 0.196 0.131 1.00 43.52 C ATOM 250 O ASP A 14 16.385 -0.738 0.930 1.00 25.44 O ATOM 251 CB ASP A 14 16.892 -1.502 -1.620 1.00 51.32 C ATOM 252 CG ASP A 14 18.326 -1.787 -1.219 1.00 32.21 C ATOM 253 OD1 ASP A 14 18.808 -1.157 -0.253 1.00 2.43 O ATOM 254 OD2 ASP A 14 18.965 -2.641 -1.867 1.00 43.42 O ATOM 0 H ASP A 14 18.426 0.472 -1.989 1.00 72.22 H new ATOM 0 HA ASP A 14 15.535 0.147 -1.852 1.00 40.23 H new ATOM 0 HB2 ASP A 14 16.225 -2.161 -1.064 1.00 51.32 H new ATOM 0 HB3 ASP A 14 16.761 -1.733 -2.677 1.00 51.32 H new ATOM 258 N SER A 15 16.144 1.457 0.503 1.00 32.43 N ATOM 259 CA SER A 15 15.984 1.824 1.905 1.00 35.12 C ATOM 260 C SER A 15 14.608 2.435 2.153 1.00 71.33 C ATOM 261 O SER A 15 14.102 2.414 3.275 1.00 55.41 O ATOM 262 CB SER A 15 17.075 2.811 2.324 1.00 51.31 C ATOM 263 OG SER A 15 18.352 2.373 1.893 1.00 14.32 O ATOM 0 H SER A 15 16.097 2.242 -0.147 1.00 32.43 H new ATOM 0 HA SER A 15 16.074 0.918 2.504 1.00 35.12 H new ATOM 0 HB2 SER A 15 16.863 3.793 1.902 1.00 51.31 H new ATOM 0 HB3 SER A 15 17.072 2.922 3.408 1.00 51.31 H new ATOM 0 HG SER A 15 19.032 3.022 2.172 1.00 14.32 H new ATOM 268 N GLN A 16 14.009 2.977 1.098 1.00 2.24 N ATOM 269 CA GLN A 16 12.692 3.594 1.200 1.00 22.31 C ATOM 270 C GLN A 16 11.659 2.591 1.706 1.00 42.22 C ATOM 271 O GLN A 16 10.871 2.896 2.600 1.00 2.15 O ATOM 272 CB GLN A 16 12.259 4.150 -0.157 1.00 70.01 C ATOM 273 CG GLN A 16 12.292 3.121 -1.275 1.00 1.41 C ATOM 274 CD GLN A 16 12.698 3.719 -2.607 1.00 53.04 C ATOM 275 OE1 GLN A 16 12.469 4.902 -2.865 1.00 34.03 O ATOM 276 NE2 GLN A 16 13.303 2.904 -3.463 1.00 15.31 N ATOM 0 H GLN A 16 14.415 3.001 0.163 1.00 2.24 H new ATOM 0 HA GLN A 16 12.757 4.414 1.916 1.00 22.31 H new ATOM 0 HB2 GLN A 16 11.248 4.549 -0.071 1.00 70.01 H new ATOM 0 HB3 GLN A 16 12.909 4.984 -0.423 1.00 70.01 H new ATOM 0 HG2 GLN A 16 12.989 2.325 -1.011 1.00 1.41 H new ATOM 0 HG3 GLN A 16 11.307 2.663 -1.372 1.00 1.41 H new ATOM 0 HE21 GLN A 16 13.473 1.931 -3.208 1.00 15.31 H new ATOM 0 HE22 GLN A 16 13.598 3.251 -4.376 1.00 15.31 H new ATOM 283 N MET A 17 11.669 1.395 1.126 1.00 52.53 N ATOM 284 CA MET A 17 10.734 0.349 1.518 1.00 24.41 C ATOM 285 C MET A 17 11.315 -0.509 2.638 1.00 52.34 C ATOM 286 O MET A 17 12.520 -0.758 2.679 1.00 5.03 O ATOM 287 CB MET A 17 10.386 -0.531 0.316 1.00 44.53 C ATOM 288 CG MET A 17 9.376 0.103 -0.629 1.00 24.35 C ATOM 289 SD MET A 17 10.023 0.312 -2.298 1.00 44.12 S ATOM 290 CE MET A 17 9.045 1.700 -2.869 1.00 24.40 C ATOM 0 H MET A 17 12.315 1.127 0.383 1.00 52.53 H new ATOM 0 HA MET A 17 9.826 0.828 1.884 1.00 24.41 H new ATOM 0 HB2 MET A 17 11.298 -0.754 -0.237 1.00 44.53 H new ATOM 0 HB3 MET A 17 9.990 -1.481 0.674 1.00 44.53 H new ATOM 0 HG2 MET A 17 8.480 -0.517 -0.666 1.00 24.35 H new ATOM 0 HG3 MET A 17 9.076 1.074 -0.236 1.00 24.35 H new ATOM 0 HE1 MET A 17 8.540 1.432 -3.797 1.00 24.40 H new ATOM 0 HE2 MET A 17 8.303 1.957 -2.114 1.00 24.40 H new ATOM 0 HE3 MET A 17 9.696 2.556 -3.044 1.00 24.40 H new ATOM 298 N SER A 18 10.452 -0.956 3.544 1.00 64.31 N ATOM 299 CA SER A 18 10.881 -1.782 4.666 1.00 52.12 C ATOM 300 C SER A 18 9.690 -2.489 5.307 1.00 15.14 C ATOM 301 O SER A 18 8.837 -1.853 5.925 1.00 52.03 O ATOM 302 CB SER A 18 11.603 -0.927 5.709 1.00 10.15 C ATOM 303 OG SER A 18 10.937 0.309 5.905 1.00 5.45 O ATOM 0 H SER A 18 9.451 -0.760 3.523 1.00 64.31 H new ATOM 0 HA SER A 18 11.569 -2.538 4.287 1.00 52.12 H new ATOM 0 HB2 SER A 18 11.657 -1.468 6.653 1.00 10.15 H new ATOM 0 HB3 SER A 18 12.628 -0.744 5.387 1.00 10.15 H new ATOM 0 HG SER A 18 10.015 0.239 5.581 1.00 5.45 H new ATOM 308 N ALA A 19 9.641 -3.808 5.155 1.00 32.34 N ATOM 309 CA ALA A 19 8.557 -4.602 5.720 1.00 35.25 C ATOM 310 C ALA A 19 9.042 -5.424 6.910 1.00 24.32 C ATOM 311 O ALA A 19 10.240 -5.489 7.185 1.00 74.31 O ATOM 312 CB ALA A 19 7.959 -5.510 4.657 1.00 64.04 C ATOM 0 H ALA A 19 10.339 -4.349 4.645 1.00 32.34 H new ATOM 0 HA ALA A 19 7.785 -3.919 6.074 1.00 35.25 H new ATOM 0 HB1 ALA A 19 7.151 -6.097 5.093 1.00 64.04 H new ATOM 0 HB2 ALA A 19 7.568 -4.905 3.839 1.00 64.04 H new ATOM 0 HB3 ALA A 19 8.729 -6.180 4.276 1.00 64.04 H new ATOM 318 N SER A 20 8.102 -6.052 7.612 1.00 11.54 N ATOM 319 CA SER A 20 8.435 -6.866 8.775 1.00 44.04 C ATOM 320 C SER A 20 9.536 -7.868 8.440 1.00 51.54 C ATOM 321 O SER A 20 10.460 -8.076 9.226 1.00 2.43 O ATOM 322 CB SER A 20 7.192 -7.606 9.276 1.00 5.22 C ATOM 323 OG SER A 20 7.516 -8.922 9.692 1.00 72.31 O ATOM 0 H SER A 20 7.106 -6.012 7.395 1.00 11.54 H new ATOM 0 HA SER A 20 8.798 -6.203 9.561 1.00 44.04 H new ATOM 0 HB2 SER A 20 6.748 -7.057 10.107 1.00 5.22 H new ATOM 0 HB3 SER A 20 6.444 -7.645 8.484 1.00 5.22 H new ATOM 0 HG SER A 20 7.314 -9.553 8.970 1.00 72.31 H new ATOM 328 N SER A 21 9.430 -8.485 7.267 1.00 54.02 N ATOM 329 CA SER A 21 10.415 -9.466 6.829 1.00 24.33 C ATOM 330 C SER A 21 10.087 -9.976 5.428 1.00 30.01 C ATOM 331 O SER A 21 8.959 -9.843 4.955 1.00 72.23 O ATOM 332 CB SER A 21 10.468 -10.639 7.811 1.00 5.42 C ATOM 333 OG SER A 21 11.384 -11.628 7.374 1.00 11.54 O ATOM 0 H SER A 21 8.672 -8.323 6.604 1.00 54.02 H new ATOM 0 HA SER A 21 11.390 -8.979 6.801 1.00 24.33 H new ATOM 0 HB2 SER A 21 10.760 -10.279 8.797 1.00 5.42 H new ATOM 0 HB3 SER A 21 9.475 -11.078 7.913 1.00 5.42 H new ATOM 0 HG SER A 21 11.801 -12.054 8.152 1.00 11.54 H new ATOM 338 N SER A 22 11.084 -10.561 4.771 1.00 40.35 N ATOM 339 CA SER A 22 10.904 -11.087 3.422 1.00 12.11 C ATOM 340 C SER A 22 10.993 -12.610 3.417 1.00 22.42 C ATOM 341 O SER A 22 11.498 -13.217 4.363 1.00 71.04 O ATOM 342 CB SER A 22 11.955 -10.501 2.479 1.00 11.33 C ATOM 343 OG SER A 22 12.529 -11.509 1.665 1.00 2.31 O ATOM 0 H SER A 22 12.023 -10.683 5.150 1.00 40.35 H new ATOM 0 HA SER A 22 9.912 -10.797 3.075 1.00 12.11 H new ATOM 0 HB2 SER A 22 11.498 -9.737 1.850 1.00 11.33 H new ATOM 0 HB3 SER A 22 12.736 -10.010 3.060 1.00 11.33 H new ATOM 0 HG SER A 22 13.485 -11.329 1.547 1.00 2.31 H new ATOM 348 N TYR A 23 10.499 -13.222 2.347 1.00 61.03 N ATOM 349 CA TYR A 23 10.520 -14.675 2.219 1.00 53.21 C ATOM 350 C TYR A 23 11.932 -15.219 2.419 1.00 74.25 C ATOM 351 O TYR A 23 12.890 -14.458 2.553 1.00 50.31 O ATOM 352 CB TYR A 23 9.990 -15.094 0.847 1.00 65.13 C ATOM 353 CG TYR A 23 10.983 -14.890 -0.275 1.00 32.01 C ATOM 354 CD1 TYR A 23 11.417 -13.617 -0.621 1.00 1.25 C ATOM 355 CD2 TYR A 23 11.487 -15.971 -0.988 1.00 54.01 C ATOM 356 CE1 TYR A 23 12.325 -13.426 -1.646 1.00 31.21 C ATOM 357 CE2 TYR A 23 12.395 -15.790 -2.013 1.00 72.30 C ATOM 358 CZ TYR A 23 12.810 -14.515 -2.338 1.00 51.03 C ATOM 359 OH TYR A 23 13.715 -14.330 -3.359 1.00 54.12 O ATOM 0 H TYR A 23 10.079 -12.735 1.555 1.00 61.03 H new ATOM 0 HA TYR A 23 9.876 -15.092 2.993 1.00 53.21 H new ATOM 0 HB2 TYR A 23 9.706 -16.146 0.882 1.00 65.13 H new ATOM 0 HB3 TYR A 23 9.085 -14.527 0.628 1.00 65.13 H new ATOM 0 HD1 TYR A 23 11.039 -12.762 -0.080 1.00 1.25 H new ATOM 0 HD2 TYR A 23 11.163 -16.970 -0.736 1.00 54.01 H new ATOM 0 HE1 TYR A 23 12.652 -12.429 -1.903 1.00 31.21 H new ATOM 0 HE2 TYR A 23 12.778 -16.641 -2.557 1.00 72.30 H new ATOM 0 HH TYR A 23 13.957 -15.199 -3.743 1.00 54.12 H new ATOM 534 N TYR A 34 16.297 -5.850 1.275 1.00 45.43 N ATOM 535 CA TYR A 34 15.312 -6.895 1.021 1.00 40.12 C ATOM 536 C TYR A 34 14.227 -6.402 0.068 1.00 22.42 C ATOM 537 O TYR A 34 14.032 -6.938 -1.022 1.00 42.34 O ATOM 538 CB TYR A 34 14.681 -7.360 2.334 1.00 62.43 C ATOM 539 CG TYR A 34 15.132 -8.736 2.770 1.00 43.44 C ATOM 540 CD1 TYR A 34 15.054 -9.820 1.904 1.00 15.20 C ATOM 541 CD2 TYR A 34 15.636 -8.950 4.047 1.00 65.22 C ATOM 542 CE1 TYR A 34 15.465 -11.079 2.299 1.00 10.20 C ATOM 543 CE2 TYR A 34 16.050 -10.206 4.449 1.00 65.14 C ATOM 544 CZ TYR A 34 15.962 -11.267 3.571 1.00 73.23 C ATOM 545 OH TYR A 34 16.373 -12.519 3.967 1.00 73.31 O ATOM 0 HA TYR A 34 15.825 -7.736 0.554 1.00 40.12 H new ATOM 0 HB2 TYR A 34 14.923 -6.642 3.118 1.00 62.43 H new ATOM 0 HB3 TYR A 34 13.596 -7.360 2.226 1.00 62.43 H new ATOM 0 HD1 TYR A 34 14.666 -9.676 0.906 1.00 15.20 H new ATOM 0 HD2 TYR A 34 15.705 -8.122 4.737 1.00 65.22 H new ATOM 0 HE1 TYR A 34 15.397 -11.912 1.614 1.00 10.20 H new ATOM 0 HE2 TYR A 34 16.440 -10.356 5.445 1.00 65.14 H new ATOM 0 HH TYR A 34 16.698 -12.480 4.891 1.00 73.31 H new ATOM 554 N PRO A 35 13.503 -5.355 0.490 1.00 50.53 N ATOM 555 CA PRO A 35 12.426 -4.763 -0.310 1.00 70.54 C ATOM 556 C PRO A 35 12.952 -4.030 -1.539 1.00 0.01 C ATOM 557 O PRO A 35 14.137 -4.115 -1.866 1.00 24.41 O ATOM 558 CB PRO A 35 11.765 -3.778 0.658 1.00 24.31 C ATOM 559 CG PRO A 35 12.835 -3.431 1.634 1.00 53.20 C ATOM 560 CD PRO A 35 13.681 -4.665 1.779 1.00 20.31 C ATOM 0 HA PRO A 35 11.746 -5.520 -0.700 1.00 70.54 H new ATOM 0 HB2 PRO A 35 11.403 -2.892 0.136 1.00 24.31 H new ATOM 0 HB3 PRO A 35 10.906 -4.228 1.156 1.00 24.31 H new ATOM 0 HG2 PRO A 35 13.430 -2.590 1.278 1.00 53.20 H new ATOM 0 HG3 PRO A 35 12.408 -3.136 2.592 1.00 53.20 H new ATOM 0 HD2 PRO A 35 14.727 -4.416 1.960 1.00 20.31 H new ATOM 0 HD3 PRO A 35 13.351 -5.283 2.614 1.00 20.31 H new ATOM 565 N HIS A 36 12.065 -3.310 -2.218 1.00 63.20 N ATOM 566 CA HIS A 36 12.440 -2.561 -3.412 1.00 13.45 C ATOM 567 C HIS A 36 13.046 -3.484 -4.465 1.00 34.42 C ATOM 568 O HIS A 36 14.227 -3.374 -4.797 1.00 51.40 O ATOM 569 CB HIS A 36 13.434 -1.455 -3.053 1.00 5.31 C ATOM 570 CG HIS A 36 13.600 -0.428 -4.131 1.00 53.21 C ATOM 571 ND1 HIS A 36 14.817 0.135 -4.453 1.00 32.22 N ATOM 572 CD2 HIS A 36 12.694 0.137 -4.962 1.00 51.21 C ATOM 573 CE1 HIS A 36 14.652 1.004 -5.435 1.00 23.41 C ATOM 574 NE2 HIS A 36 13.373 1.024 -5.763 1.00 20.40 N ATOM 0 H HIS A 36 11.081 -3.229 -1.962 1.00 63.20 H new ATOM 0 HA HIS A 36 11.539 -2.110 -3.826 1.00 13.45 H new ATOM 0 HB2 HIS A 36 13.102 -0.961 -2.140 1.00 5.31 H new ATOM 0 HB3 HIS A 36 14.403 -1.904 -2.838 1.00 5.31 H new ATOM 0 HD2 HIS A 36 11.634 -0.070 -4.991 1.00 51.21 H new ATOM 0 HE1 HIS A 36 15.431 1.597 -5.892 1.00 23.41 H new ATOM 0 HE2 HIS A 36 12.957 1.603 -6.492 1.00 20.40 H new ATOM 581 N LEU A 37 12.232 -4.395 -4.984 1.00 41.32 N ATOM 582 CA LEU A 37 12.687 -5.339 -5.999 1.00 50.35 C ATOM 583 C LEU A 37 12.003 -5.073 -7.336 1.00 2.42 C ATOM 584 O LEU A 37 12.594 -5.270 -8.397 1.00 42.23 O ATOM 585 CB LEU A 37 12.412 -6.775 -5.550 1.00 73.14 C ATOM 586 CG LEU A 37 13.476 -7.415 -4.658 1.00 10.13 C ATOM 587 CD1 LEU A 37 14.211 -6.351 -3.857 1.00 11.14 C ATOM 588 CD2 LEU A 37 12.846 -8.443 -3.730 1.00 3.14 C ATOM 0 H LEU A 37 11.253 -4.501 -4.719 1.00 41.32 H new ATOM 0 HA LEU A 37 13.761 -5.205 -6.128 1.00 50.35 H new ATOM 0 HB2 LEU A 37 11.462 -6.792 -5.017 1.00 73.14 H new ATOM 0 HB3 LEU A 37 12.290 -7.395 -6.438 1.00 73.14 H new ATOM 0 HG LEU A 37 14.198 -7.925 -5.295 1.00 10.13 H new ATOM 0 HD11 LEU A 37 14.964 -6.825 -3.228 1.00 11.14 H new ATOM 0 HD12 LEU A 37 14.695 -5.652 -4.539 1.00 11.14 H new ATOM 0 HD13 LEU A 37 13.501 -5.813 -3.229 1.00 11.14 H new ATOM 0 HD21 LEU A 37 13.618 -8.888 -3.103 1.00 3.14 H new ATOM 0 HD22 LEU A 37 12.102 -7.956 -3.099 1.00 3.14 H new ATOM 0 HD23 LEU A 37 12.366 -9.222 -4.322 1.00 3.14 H new ATOM 599 N GLY A 38 10.753 -4.622 -7.278 1.00 12.22 N ATOM 600 CA GLY A 38 10.011 -4.334 -8.491 1.00 60.31 C ATOM 601 C GLY A 38 10.203 -2.907 -8.963 1.00 40.14 C ATOM 602 O GLY A 38 9.282 -2.298 -9.509 1.00 14.15 O ATOM 0 H GLY A 38 10.242 -4.451 -6.412 1.00 12.22 H new ATOM 0 HA2 GLY A 38 10.327 -5.019 -9.278 1.00 60.31 H new ATOM 0 HA3 GLY A 38 8.951 -4.516 -8.316 1.00 60.31 H new ATOM 606 N ARG A 39 11.401 -2.371 -8.751 1.00 62.24 N ATOM 607 CA ARG A 39 11.709 -1.005 -9.157 1.00 1.03 C ATOM 608 C ARG A 39 11.740 -0.883 -10.678 1.00 11.02 C ATOM 609 O ARG A 39 11.336 -1.801 -11.393 1.00 51.53 O ATOM 610 CB ARG A 39 13.053 -0.568 -8.572 1.00 4.32 C ATOM 611 CG ARG A 39 14.242 -1.316 -9.154 1.00 51.32 C ATOM 612 CD ARG A 39 15.559 -0.755 -8.641 1.00 13.11 C ATOM 613 NE ARG A 39 15.882 -1.250 -7.305 1.00 2.31 N ATOM 614 CZ ARG A 39 16.977 -0.904 -6.638 1.00 20.33 C ATOM 615 NH1 ARG A 39 17.850 -0.065 -7.179 1.00 70.44 N ATOM 616 NH2 ARG A 39 17.201 -1.398 -5.427 1.00 11.43 N ATOM 0 H ARG A 39 12.174 -2.862 -8.301 1.00 62.24 H new ATOM 0 HA ARG A 39 10.924 -0.353 -8.774 1.00 1.03 H new ATOM 0 HB2 ARG A 39 13.186 0.500 -8.746 1.00 4.32 H new ATOM 0 HB3 ARG A 39 13.035 -0.715 -7.492 1.00 4.32 H new ATOM 0 HG2 ARG A 39 14.170 -2.373 -8.896 1.00 51.32 H new ATOM 0 HG3 ARG A 39 14.217 -1.251 -10.242 1.00 51.32 H new ATOM 0 HD2 ARG A 39 16.360 -1.023 -9.330 1.00 13.11 H new ATOM 0 HD3 ARG A 39 15.506 0.334 -8.621 1.00 13.11 H new ATOM 0 HE ARG A 39 15.231 -1.897 -6.860 1.00 2.31 H new ATOM 0 HH11 ARG A 39 17.681 0.316 -8.110 1.00 70.44 H new ATOM 0 HH12 ARG A 39 18.690 0.199 -6.664 1.00 70.44 H new ATOM 0 HH21 ARG A 39 16.532 -2.044 -5.008 1.00 11.43 H new ATOM 0 HH22 ARG A 39 18.042 -1.132 -4.915 1.00 11.43 H new ATOM 627 N LEU A 40 12.221 0.255 -11.165 1.00 72.43 N ATOM 628 CA LEU A 40 12.304 0.497 -12.601 1.00 72.21 C ATOM 629 C LEU A 40 13.308 -0.447 -13.255 1.00 44.32 C ATOM 630 O LEU A 40 13.017 -1.063 -14.282 1.00 14.35 O ATOM 631 CB LEU A 40 12.702 1.950 -12.871 1.00 1.32 C ATOM 632 CG LEU A 40 13.211 2.256 -14.280 1.00 33.21 C ATOM 633 CD1 LEU A 40 12.686 3.602 -14.756 1.00 25.25 C ATOM 634 CD2 LEU A 40 14.732 2.231 -14.315 1.00 74.33 C ATOM 0 H LEU A 40 12.559 1.024 -10.587 1.00 72.43 H new ATOM 0 HA LEU A 40 11.321 0.309 -13.034 1.00 72.21 H new ATOM 0 HB2 LEU A 40 11.839 2.585 -12.672 1.00 1.32 H new ATOM 0 HB3 LEU A 40 13.476 2.232 -12.157 1.00 1.32 H new ATOM 0 HG LEU A 40 12.840 1.485 -14.955 1.00 33.21 H new ATOM 0 HD11 LEU A 40 13.058 3.803 -15.760 1.00 25.25 H new ATOM 0 HD12 LEU A 40 11.596 3.583 -14.770 1.00 25.25 H new ATOM 0 HD13 LEU A 40 13.027 4.385 -14.079 1.00 25.25 H new ATOM 0 HD21 LEU A 40 15.076 2.451 -15.326 1.00 74.33 H new ATOM 0 HD22 LEU A 40 15.124 2.980 -13.627 1.00 74.33 H new ATOM 0 HD23 LEU A 40 15.087 1.244 -14.018 1.00 74.33 H new ATOM 645 N ASP A 41 14.487 -0.557 -12.655 1.00 11.21 N ATOM 646 CA ASP A 41 15.533 -1.429 -13.177 1.00 60.33 C ATOM 647 C ASP A 41 15.620 -2.719 -12.367 1.00 15.41 C ATOM 648 O ASP A 41 16.710 -3.167 -12.011 1.00 72.34 O ATOM 649 CB ASP A 41 16.882 -0.710 -13.161 1.00 51.44 C ATOM 650 CG ASP A 41 17.772 -1.122 -14.317 1.00 15.15 C ATOM 651 OD1 ASP A 41 17.316 -1.039 -15.477 1.00 64.52 O ATOM 652 OD2 ASP A 41 18.925 -1.526 -14.062 1.00 14.52 O ATOM 0 H ASP A 41 14.743 -0.053 -11.806 1.00 11.21 H new ATOM 0 HA ASP A 41 15.279 -1.684 -14.206 1.00 60.33 H new ATOM 0 HB2 ASP A 41 16.717 0.367 -13.199 1.00 51.44 H new ATOM 0 HB3 ASP A 41 17.392 -0.921 -12.221 1.00 51.44 H new ATOM 656 N ASN A 42 14.465 -3.309 -12.078 1.00 21.30 N ATOM 657 CA ASN A 42 14.411 -4.547 -11.307 1.00 54.42 C ATOM 658 C ASN A 42 15.342 -5.599 -11.903 1.00 71.32 C ATOM 659 O ASN A 42 15.264 -5.909 -13.091 1.00 42.15 O ATOM 660 CB ASN A 42 12.979 -5.083 -11.263 1.00 74.31 C ATOM 661 CG ASN A 42 12.330 -5.110 -12.633 1.00 72.12 C ATOM 662 OD1 ASN A 42 12.357 -6.127 -13.325 1.00 63.12 O ATOM 663 ND2 ASN A 42 11.741 -3.987 -13.031 1.00 12.25 N ATOM 0 H ASN A 42 13.554 -2.951 -12.365 1.00 21.30 H new ATOM 0 HA ASN A 42 14.741 -4.328 -10.291 1.00 54.42 H new ATOM 0 HB2 ASN A 42 12.984 -6.090 -10.846 1.00 74.31 H new ATOM 0 HB3 ASN A 42 12.382 -4.463 -10.593 1.00 74.31 H new ATOM 0 HD21 ASN A 42 11.287 -3.945 -13.943 1.00 12.25 H new ATOM 0 HD22 ASN A 42 11.743 -3.167 -12.424 1.00 12.25 H new ATOM 669 N GLN A 43 16.220 -6.145 -11.068 1.00 4.14 N ATOM 670 CA GLN A 43 17.165 -7.163 -11.512 1.00 61.21 C ATOM 671 C GLN A 43 16.862 -8.509 -10.862 1.00 55.13 C ATOM 672 O GLN A 43 15.884 -8.649 -10.129 1.00 73.34 O ATOM 673 CB GLN A 43 18.598 -6.736 -11.185 1.00 65.20 C ATOM 674 CG GLN A 43 18.753 -6.143 -9.794 1.00 60.03 C ATOM 675 CD GLN A 43 18.727 -4.627 -9.801 1.00 13.04 C ATOM 676 OE1 GLN A 43 19.293 -3.988 -10.688 1.00 5.35 O ATOM 677 NE2 GLN A 43 18.069 -4.041 -8.807 1.00 23.13 N ATOM 0 H GLN A 43 16.297 -5.900 -10.081 1.00 4.14 H new ATOM 0 HA GLN A 43 17.063 -7.271 -12.592 1.00 61.21 H new ATOM 0 HB2 GLN A 43 19.256 -7.600 -11.278 1.00 65.20 H new ATOM 0 HB3 GLN A 43 18.927 -6.004 -11.922 1.00 65.20 H new ATOM 0 HG2 GLN A 43 17.953 -6.514 -9.154 1.00 60.03 H new ATOM 0 HG3 GLN A 43 19.693 -6.485 -9.360 1.00 60.03 H new ATOM 0 HE21 GLN A 43 17.614 -4.609 -8.092 1.00 23.13 H new ATOM 0 HE22 GLN A 43 18.019 -3.023 -8.759 1.00 23.13 H new ATOM 684 N GLY A 44 17.707 -9.497 -11.137 1.00 11.04 N ATOM 685 CA GLY A 44 17.512 -10.819 -10.571 1.00 62.21 C ATOM 686 C GLY A 44 16.437 -11.606 -11.293 1.00 52.45 C ATOM 687 O GLY A 44 16.701 -12.240 -12.315 1.00 52.40 O ATOM 0 H GLY A 44 18.523 -9.406 -11.742 1.00 11.04 H new ATOM 0 HA2 GLY A 44 18.451 -11.371 -10.612 1.00 62.21 H new ATOM 0 HA3 GLY A 44 17.244 -10.724 -9.519 1.00 62.21 H new ATOM 691 N LYS A 45 15.219 -11.567 -10.761 1.00 3.25 N ATOM 692 CA LYS A 45 14.099 -12.282 -11.361 1.00 2.32 C ATOM 693 C LYS A 45 12.813 -12.032 -10.580 1.00 13.43 C ATOM 694 O LYS A 45 11.724 -12.008 -11.153 1.00 72.43 O ATOM 695 CB LYS A 45 14.394 -13.783 -11.412 1.00 62.02 C ATOM 696 CG LYS A 45 14.570 -14.415 -10.042 1.00 44.23 C ATOM 697 CD LYS A 45 15.892 -14.014 -9.409 1.00 51.35 C ATOM 698 CE LYS A 45 16.427 -15.106 -8.497 1.00 32.23 C ATOM 699 NZ LYS A 45 17.860 -14.890 -8.154 1.00 32.12 N ATOM 0 H LYS A 45 14.983 -11.048 -9.915 1.00 3.25 H new ATOM 0 HA LYS A 45 13.965 -11.910 -12.377 1.00 2.32 H new ATOM 0 HB2 LYS A 45 13.580 -14.287 -11.934 1.00 62.02 H new ATOM 0 HB3 LYS A 45 15.298 -13.947 -11.998 1.00 62.02 H new ATOM 0 HG2 LYS A 45 13.748 -14.113 -9.393 1.00 44.23 H new ATOM 0 HG3 LYS A 45 14.523 -15.500 -10.132 1.00 44.23 H new ATOM 0 HD2 LYS A 45 16.621 -13.802 -10.191 1.00 51.35 H new ATOM 0 HD3 LYS A 45 15.759 -13.095 -8.839 1.00 51.35 H new ATOM 0 HE2 LYS A 45 15.835 -15.137 -7.582 1.00 32.23 H new ATOM 0 HE3 LYS A 45 16.312 -16.074 -8.984 1.00 32.23 H new ATOM 0 HZ1 LYS A 45 18.187 -15.656 -7.531 1.00 32.12 H new ATOM 0 HZ2 LYS A 45 18.429 -14.886 -9.025 1.00 32.12 H new ATOM 0 HZ3 LYS A 45 17.967 -13.978 -7.666 1.00 32.12 H new ATOM 709 N ILE A 46 12.948 -11.845 -9.272 1.00 24.51 N ATOM 710 CA ILE A 46 11.796 -11.594 -8.414 1.00 30.13 C ATOM 711 C ILE A 46 11.035 -10.353 -8.866 1.00 61.12 C ATOM 712 O ILE A 46 9.822 -10.397 -9.072 1.00 33.14 O ATOM 713 CB ILE A 46 12.218 -11.415 -6.944 1.00 25.34 C ATOM 714 CG1 ILE A 46 13.181 -12.530 -6.528 1.00 23.22 C ATOM 715 CG2 ILE A 46 10.994 -11.403 -6.040 1.00 14.31 C ATOM 716 CD1 ILE A 46 14.610 -12.062 -6.361 1.00 72.22 C ATOM 0 H ILE A 46 13.843 -11.862 -8.783 1.00 24.51 H new ATOM 0 HA ILE A 46 11.147 -12.466 -8.494 1.00 30.13 H new ATOM 0 HB ILE A 46 12.732 -10.459 -6.842 1.00 25.34 H new ATOM 0 HG12 ILE A 46 12.837 -12.965 -5.589 1.00 23.22 H new ATOM 0 HG13 ILE A 46 13.152 -13.322 -7.276 1.00 23.22 H new ATOM 0 HG21 ILE A 46 11.308 -11.276 -5.004 1.00 14.31 H new ATOM 0 HG22 ILE A 46 10.340 -10.579 -6.325 1.00 14.31 H new ATOM 0 HG23 ILE A 46 10.456 -12.346 -6.143 1.00 14.31 H new ATOM 0 HD11 ILE A 46 15.236 -12.904 -6.066 1.00 72.22 H new ATOM 0 HD12 ILE A 46 14.972 -11.654 -7.305 1.00 72.22 H new ATOM 0 HD13 ILE A 46 14.653 -11.291 -5.592 1.00 72.22 H new ATOM 727 N ASN A 47 11.754 -9.247 -9.021 1.00 13.53 N ATOM 728 CA ASN A 47 11.147 -7.993 -9.451 1.00 60.12 C ATOM 729 C ASN A 47 9.934 -7.652 -8.590 1.00 65.01 C ATOM 730 O ASN A 47 8.950 -7.099 -9.078 1.00 70.42 O ATOM 731 CB ASN A 47 10.734 -8.079 -10.922 1.00 63.20 C ATOM 732 CG ASN A 47 11.669 -8.954 -11.734 1.00 12.13 C ATOM 733 OD1 ASN A 47 11.228 -9.827 -12.482 1.00 72.11 O ATOM 734 ND2 ASN A 47 12.969 -8.724 -11.590 1.00 13.21 N ATOM 0 H ASN A 47 12.759 -9.193 -8.855 1.00 13.53 H new ATOM 0 HA ASN A 47 11.888 -7.202 -9.334 1.00 60.12 H new ATOM 0 HB2 ASN A 47 9.720 -8.474 -10.990 1.00 63.20 H new ATOM 0 HB3 ASN A 47 10.715 -7.077 -11.350 1.00 63.20 H new ATOM 0 HD21 ASN A 47 13.646 -9.281 -12.111 1.00 13.21 H new ATOM 0 HD22 ASN A 47 13.290 -7.990 -10.959 1.00 13.21 H new ATOM 740 N ALA A 48 10.014 -7.988 -7.307 1.00 22.42 N ATOM 741 CA ALA A 48 8.925 -7.716 -6.377 1.00 61.43 C ATOM 742 C ALA A 48 9.289 -8.153 -4.961 1.00 1.23 C ATOM 743 O ALA A 48 10.166 -8.996 -4.768 1.00 40.24 O ATOM 744 CB ALA A 48 7.653 -8.414 -6.835 1.00 43.22 C ATOM 0 H ALA A 48 10.822 -8.449 -6.888 1.00 22.42 H new ATOM 0 HA ALA A 48 8.752 -6.640 -6.364 1.00 61.43 H new ATOM 0 HB1 ALA A 48 6.848 -8.202 -6.131 1.00 43.22 H new ATOM 0 HB2 ALA A 48 7.375 -8.051 -7.824 1.00 43.22 H new ATOM 0 HB3 ALA A 48 7.824 -9.490 -6.878 1.00 43.22 H new ATOM 750 N TRP A 49 8.612 -7.575 -3.977 1.00 32.04 N ATOM 751 CA TRP A 49 8.866 -7.904 -2.578 1.00 1.51 C ATOM 752 C TRP A 49 7.927 -9.006 -2.100 1.00 32.43 C ATOM 753 O TRP A 49 6.727 -8.975 -2.372 1.00 21.52 O ATOM 754 CB TRP A 49 8.702 -6.662 -1.702 1.00 74.12 C ATOM 755 CG TRP A 49 8.585 -6.976 -0.242 1.00 54.03 C ATOM 756 CD1 TRP A 49 9.599 -7.016 0.673 1.00 52.04 C ATOM 757 CD2 TRP A 49 7.386 -7.296 0.472 1.00 20.20 C ATOM 758 NE1 TRP A 49 9.102 -7.341 1.911 1.00 31.21 N ATOM 759 CE2 TRP A 49 7.747 -7.518 1.815 1.00 31.44 C ATOM 760 CE3 TRP A 49 6.042 -7.416 0.108 1.00 32.22 C ATOM 761 CZ2 TRP A 49 6.813 -7.853 2.792 1.00 23.21 C ATOM 762 CZ3 TRP A 49 5.116 -7.748 1.078 1.00 22.32 C ATOM 763 CH2 TRP A 49 5.504 -7.964 2.407 1.00 14.13 C ATOM 0 H TRP A 49 7.883 -6.876 -4.120 1.00 32.04 H new ATOM 0 HA TRP A 49 9.891 -8.264 -2.496 1.00 1.51 H new ATOM 0 HB2 TRP A 49 9.555 -6.002 -1.857 1.00 74.12 H new ATOM 0 HB3 TRP A 49 7.814 -6.116 -2.021 1.00 74.12 H new ATOM 0 HD1 TRP A 49 10.638 -6.821 0.455 1.00 52.04 H new ATOM 0 HE1 TRP A 49 9.653 -7.435 2.764 1.00 31.21 H new ATOM 0 HE3 TRP A 49 5.733 -7.252 -0.914 1.00 32.22 H new ATOM 0 HZ2 TRP A 49 7.111 -8.019 3.817 1.00 23.21 H new ATOM 0 HZ3 TRP A 49 4.075 -7.843 0.807 1.00 22.32 H new ATOM 0 HH2 TRP A 49 4.756 -8.223 3.142 1.00 14.13 H new ATOM 773 N THR A 50 8.481 -9.981 -1.385 1.00 13.51 N ATOM 774 CA THR A 50 7.693 -11.093 -0.869 1.00 5.41 C ATOM 775 C THR A 50 7.601 -11.043 0.651 1.00 61.34 C ATOM 776 O THR A 50 8.358 -10.327 1.305 1.00 62.43 O ATOM 777 CB THR A 50 8.292 -12.449 -1.291 1.00 45.52 C ATOM 778 OG1 THR A 50 9.034 -12.299 -2.506 1.00 11.32 O ATOM 779 CG2 THR A 50 7.196 -13.486 -1.486 1.00 33.35 C ATOM 0 H THR A 50 9.473 -10.022 -1.150 1.00 13.51 H new ATOM 0 HA THR A 50 6.694 -10.997 -1.294 1.00 5.41 H new ATOM 0 HB THR A 50 8.958 -12.790 -0.498 1.00 45.52 H new ATOM 0 HG1 THR A 50 9.954 -12.605 -2.367 1.00 11.32 H new ATOM 0 HG21 THR A 50 7.642 -14.435 -1.784 1.00 33.35 H new ATOM 0 HG22 THR A 50 6.650 -13.619 -0.552 1.00 33.35 H new ATOM 0 HG23 THR A 50 6.510 -13.148 -2.262 1.00 33.35 H new ATOM 787 N ALA A 51 6.667 -11.808 1.208 1.00 40.33 N ATOM 788 CA ALA A 51 6.477 -11.852 2.652 1.00 41.12 C ATOM 789 C ALA A 51 7.316 -12.958 3.283 1.00 4.33 C ATOM 790 O ALA A 51 7.782 -13.865 2.593 1.00 21.42 O ATOM 791 CB ALA A 51 5.005 -12.049 2.985 1.00 3.24 C ATOM 0 H ALA A 51 6.030 -12.405 0.680 1.00 40.33 H new ATOM 0 HA ALA A 51 6.808 -10.900 3.066 1.00 41.12 H new ATOM 0 HB1 ALA A 51 4.878 -12.080 4.067 1.00 3.24 H new ATOM 0 HB2 ALA A 51 4.425 -11.222 2.575 1.00 3.24 H new ATOM 0 HB3 ALA A 51 4.656 -12.986 2.552 1.00 3.24 H new ATOM 797 N GLN A 52 7.506 -12.875 4.595 1.00 15.21 N ATOM 798 CA GLN A 52 8.292 -13.869 5.317 1.00 12.41 C ATOM 799 C GLN A 52 7.389 -14.929 5.941 1.00 42.45 C ATOM 800 O GLN A 52 7.606 -16.127 5.758 1.00 63.45 O ATOM 801 CB GLN A 52 9.132 -13.195 6.404 1.00 61.45 C ATOM 802 CG GLN A 52 9.803 -14.177 7.351 1.00 41.22 C ATOM 803 CD GLN A 52 9.080 -14.294 8.678 1.00 32.04 C ATOM 804 OE1 GLN A 52 8.829 -13.294 9.352 1.00 31.11 O ATOM 805 NE2 GLN A 52 8.741 -15.519 9.062 1.00 1.14 N ATOM 0 H GLN A 52 7.127 -12.130 5.180 1.00 15.21 H new ATOM 0 HA GLN A 52 8.956 -14.357 4.604 1.00 12.41 H new ATOM 0 HB2 GLN A 52 9.897 -12.579 5.931 1.00 61.45 H new ATOM 0 HB3 GLN A 52 8.495 -12.525 6.981 1.00 61.45 H new ATOM 0 HG2 GLN A 52 9.849 -15.158 6.879 1.00 41.22 H new ATOM 0 HG3 GLN A 52 10.831 -13.861 7.528 1.00 41.22 H new ATOM 0 HE21 GLN A 52 8.969 -16.320 8.472 1.00 1.14 H new ATOM 0 HE22 GLN A 52 8.253 -15.659 9.947 1.00 1.14 H new ATOM 812 N SER A 53 6.377 -14.479 6.676 1.00 1.32 N ATOM 813 CA SER A 53 5.444 -15.389 7.329 1.00 22.34 C ATOM 814 C SER A 53 4.394 -15.890 6.344 1.00 45.55 C ATOM 815 O SER A 53 3.515 -16.674 6.700 1.00 61.02 O ATOM 816 CB SER A 53 4.762 -14.694 8.509 1.00 74.14 C ATOM 817 OG SER A 53 5.695 -13.943 9.267 1.00 51.23 O ATOM 0 H SER A 53 6.183 -13.490 6.834 1.00 1.32 H new ATOM 0 HA SER A 53 6.009 -16.245 7.698 1.00 22.34 H new ATOM 0 HB2 SER A 53 3.974 -14.037 8.142 1.00 74.14 H new ATOM 0 HB3 SER A 53 4.285 -15.438 9.147 1.00 74.14 H new ATOM 0 HG SER A 53 5.645 -13.000 9.006 1.00 51.23 H new ATOM 822 N ASN A 54 4.492 -15.431 5.100 1.00 45.23 N ATOM 823 CA ASN A 54 3.550 -15.832 4.060 1.00 11.24 C ATOM 824 C ASN A 54 2.120 -15.828 4.592 1.00 44.30 C ATOM 825 O ASN A 54 1.300 -16.657 4.199 1.00 64.54 O ATOM 826 CB ASN A 54 3.906 -17.222 3.530 1.00 42.45 C ATOM 827 CG ASN A 54 3.679 -18.310 4.560 1.00 33.13 C ATOM 828 OD1 ASN A 54 4.733 -18.667 5.285 1.00 35.35 O flip ATOM 829 ND2 ASN A 54 2.569 -18.823 4.703 1.00 13.35 N flip ATOM 0 H ASN A 54 5.214 -14.781 4.788 1.00 45.23 H new ATOM 0 HA ASN A 54 3.617 -15.112 3.245 1.00 11.24 H new ATOM 0 HB2 ASN A 54 3.308 -17.434 2.644 1.00 42.45 H new ATOM 0 HB3 ASN A 54 4.951 -17.232 3.219 1.00 42.45 H new ATOM 0 HD21 ASN A 54 1.787 -18.517 4.123 1.00 13.35 H new ATOM 0 HD22 ASN A 54 2.431 -19.554 5.401 1.00 13.35 H new ATOM 835 N SER A 55 1.829 -14.889 5.486 1.00 2.21 N ATOM 836 CA SER A 55 0.499 -14.779 6.074 1.00 24.43 C ATOM 837 C SER A 55 -0.023 -13.350 5.973 1.00 52.23 C ATOM 838 O SER A 55 0.560 -12.512 5.287 1.00 53.44 O ATOM 839 CB SER A 55 0.528 -15.222 7.538 1.00 41.02 C ATOM 840 OG SER A 55 1.103 -16.510 7.670 1.00 32.24 O ATOM 0 H SER A 55 2.496 -14.193 5.819 1.00 2.21 H new ATOM 0 HA SER A 55 -0.173 -15.432 5.517 1.00 24.43 H new ATOM 0 HB2 SER A 55 1.098 -14.504 8.127 1.00 41.02 H new ATOM 0 HB3 SER A 55 -0.486 -15.230 7.939 1.00 41.02 H new ATOM 0 HG SER A 55 2.037 -16.483 7.375 1.00 32.24 H new ATOM 845 N ALA A 56 -1.127 -13.079 6.663 1.00 5.14 N ATOM 846 CA ALA A 56 -1.728 -11.751 6.652 1.00 34.33 C ATOM 847 C ALA A 56 -1.151 -10.880 7.763 1.00 72.13 C ATOM 848 O ALA A 56 -1.279 -9.655 7.736 1.00 2.13 O ATOM 849 CB ALA A 56 -3.239 -11.854 6.792 1.00 45.30 C ATOM 0 H ALA A 56 -1.623 -13.762 7.236 1.00 5.14 H new ATOM 0 HA ALA A 56 -1.494 -11.281 5.697 1.00 34.33 H new ATOM 0 HB1 ALA A 56 -3.674 -10.855 6.782 1.00 45.30 H new ATOM 0 HB2 ALA A 56 -3.643 -12.434 5.962 1.00 45.30 H new ATOM 0 HB3 ALA A 56 -3.484 -12.347 7.732 1.00 45.30 H new ATOM 855 N LYS A 57 -0.517 -11.518 8.741 1.00 2.22 N ATOM 856 CA LYS A 57 0.080 -10.803 9.862 1.00 14.51 C ATOM 857 C LYS A 57 1.240 -9.930 9.394 1.00 14.23 C ATOM 858 O LYS A 57 1.708 -9.058 10.126 1.00 34.32 O ATOM 859 CB LYS A 57 0.568 -11.791 10.924 1.00 0.41 C ATOM 860 CG LYS A 57 -0.535 -12.670 11.488 1.00 15.23 C ATOM 861 CD LYS A 57 -0.123 -14.133 11.513 1.00 50.45 C ATOM 862 CE LYS A 57 -1.298 -15.047 11.201 1.00 54.15 C ATOM 863 NZ LYS A 57 -1.706 -15.850 12.387 1.00 41.44 N ATOM 0 H LYS A 57 -0.403 -12.531 8.779 1.00 2.22 H new ATOM 0 HA LYS A 57 -0.684 -10.160 10.298 1.00 14.51 H new ATOM 0 HB2 LYS A 57 1.341 -12.425 10.490 1.00 0.41 H new ATOM 0 HB3 LYS A 57 1.032 -11.236 11.739 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -0.782 -12.343 12.498 1.00 15.23 H new ATOM 0 HG3 LYS A 57 -1.437 -12.555 10.887 1.00 15.23 H new ATOM 0 HD2 LYS A 57 0.673 -14.301 10.787 1.00 50.45 H new ATOM 0 HD3 LYS A 57 0.283 -14.381 12.494 1.00 50.45 H new ATOM 0 HE2 LYS A 57 -2.143 -14.449 10.859 1.00 54.15 H new ATOM 0 HE3 LYS A 57 -1.030 -15.717 10.384 1.00 54.15 H new ATOM 0 HZ1 LYS A 57 -2.509 -16.460 12.134 1.00 41.44 H new ATOM 0 HZ2 LYS A 57 -0.908 -16.440 12.698 1.00 41.44 H new ATOM 0 HZ3 LYS A 57 -1.986 -15.212 13.159 1.00 41.44 H new ATOM 873 N GLU A 58 1.699 -10.169 8.169 1.00 52.13 N ATOM 874 CA GLU A 58 2.805 -9.403 7.604 1.00 61.41 C ATOM 875 C GLU A 58 2.359 -7.987 7.249 1.00 4.44 C ATOM 876 O GLU A 58 1.165 -7.700 7.182 1.00 41.13 O ATOM 877 CB GLU A 58 3.357 -10.104 6.361 1.00 30.32 C ATOM 878 CG GLU A 58 4.870 -10.033 6.245 1.00 31.31 C ATOM 879 CD GLU A 58 5.573 -10.983 7.196 1.00 41.31 C ATOM 880 OE1 GLU A 58 4.876 -11.744 7.899 1.00 41.11 O ATOM 881 OE2 GLU A 58 6.821 -10.965 7.237 1.00 4.34 O ATOM 0 H GLU A 58 1.323 -10.886 7.549 1.00 52.13 H new ATOM 0 HA GLU A 58 3.592 -9.340 8.355 1.00 61.41 H new ATOM 0 HB2 GLU A 58 3.051 -11.150 6.378 1.00 30.32 H new ATOM 0 HB3 GLU A 58 2.911 -9.656 5.473 1.00 30.32 H new ATOM 0 HG2 GLU A 58 5.164 -10.266 5.221 1.00 31.31 H new ATOM 0 HG3 GLU A 58 5.199 -9.014 6.447 1.00 31.31 H new ATOM 886 N TRP A 59 3.330 -7.109 7.022 1.00 71.14 N ATOM 887 CA TRP A 59 3.039 -5.723 6.673 1.00 34.50 C ATOM 888 C TRP A 59 4.280 -5.027 6.127 1.00 25.11 C ATOM 889 O TRP A 59 5.402 -5.324 6.539 1.00 52.30 O ATOM 890 CB TRP A 59 2.513 -4.968 7.896 1.00 61.51 C ATOM 891 CG TRP A 59 3.193 -5.358 9.174 1.00 44.33 C ATOM 892 CD1 TRP A 59 4.525 -5.256 9.456 1.00 31.35 C ATOM 893 CD2 TRP A 59 2.574 -5.913 10.339 1.00 51.22 C ATOM 894 NE1 TRP A 59 4.772 -5.715 10.728 1.00 52.53 N ATOM 895 CE2 TRP A 59 3.592 -6.123 11.290 1.00 60.54 C ATOM 896 CE3 TRP A 59 1.260 -6.252 10.672 1.00 72.12 C ATOM 897 CZ2 TRP A 59 3.333 -6.656 12.551 1.00 42.53 C ATOM 898 CZ3 TRP A 59 1.006 -6.781 11.923 1.00 43.32 C ATOM 899 CH2 TRP A 59 2.038 -6.979 12.849 1.00 74.21 C ATOM 0 H TRP A 59 4.324 -7.332 7.073 1.00 71.14 H new ATOM 0 HA TRP A 59 2.274 -5.723 5.897 1.00 34.50 H new ATOM 0 HB2 TRP A 59 2.642 -3.898 7.736 1.00 61.51 H new ATOM 0 HB3 TRP A 59 1.442 -5.149 7.993 1.00 61.51 H new ATOM 0 HD1 TRP A 59 5.274 -4.871 8.780 1.00 31.35 H new ATOM 0 HE1 TRP A 59 5.686 -5.747 11.180 1.00 52.53 H new ATOM 0 HE3 TRP A 59 0.458 -6.103 9.965 1.00 72.12 H new ATOM 0 HZ2 TRP A 59 4.127 -6.809 13.267 1.00 42.53 H new ATOM 0 HZ3 TRP A 59 -0.006 -7.046 12.191 1.00 43.32 H new ATOM 0 HH2 TRP A 59 1.806 -7.395 13.818 1.00 74.21 H new ATOM 909 N LEU A 60 4.072 -4.101 5.197 1.00 22.52 N ATOM 910 CA LEU A 60 5.175 -3.363 4.593 1.00 13.13 C ATOM 911 C LEU A 60 5.078 -1.876 4.919 1.00 40.32 C ATOM 912 O LEU A 60 4.016 -1.268 4.780 1.00 4.54 O ATOM 913 CB LEU A 60 5.182 -3.565 3.077 1.00 41.31 C ATOM 914 CG LEU A 60 6.001 -2.559 2.268 1.00 14.11 C ATOM 915 CD1 LEU A 60 7.476 -2.664 2.624 1.00 2.14 C ATOM 916 CD2 LEU A 60 5.794 -2.777 0.777 1.00 74.25 C ATOM 0 H LEU A 60 3.150 -3.844 4.845 1.00 22.52 H new ATOM 0 HA LEU A 60 6.107 -3.748 5.008 1.00 13.13 H new ATOM 0 HB2 LEU A 60 5.561 -4.565 2.866 1.00 41.31 H new ATOM 0 HB3 LEU A 60 4.152 -3.533 2.722 1.00 41.31 H new ATOM 0 HG LEU A 60 5.657 -1.555 2.518 1.00 14.11 H new ATOM 0 HD11 LEU A 60 8.044 -1.941 2.039 1.00 2.14 H new ATOM 0 HD12 LEU A 60 7.610 -2.457 3.686 1.00 2.14 H new ATOM 0 HD13 LEU A 60 7.833 -3.670 2.403 1.00 2.14 H new ATOM 0 HD21 LEU A 60 6.385 -2.052 0.218 1.00 74.25 H new ATOM 0 HD22 LEU A 60 6.109 -3.785 0.509 1.00 74.25 H new ATOM 0 HD23 LEU A 60 4.739 -2.650 0.534 1.00 74.25 H new ATOM 927 N GLN A 61 6.193 -1.295 5.350 1.00 35.00 N ATOM 928 CA GLN A 61 6.233 0.122 5.694 1.00 61.53 C ATOM 929 C GLN A 61 7.271 0.856 4.853 1.00 14.22 C ATOM 930 O GLN A 61 8.413 0.411 4.729 1.00 74.34 O ATOM 931 CB GLN A 61 6.544 0.299 7.181 1.00 12.34 C ATOM 932 CG GLN A 61 5.863 -0.726 8.073 1.00 64.14 C ATOM 933 CD GLN A 61 6.813 -1.803 8.557 1.00 71.42 C ATOM 934 OE1 GLN A 61 6.661 -3.010 8.026 1.00 64.41 O flip ATOM 935 NE2 GLN A 61 7.674 -1.552 9.402 1.00 43.20 N flip ATOM 0 H GLN A 61 7.081 -1.783 5.469 1.00 35.00 H new ATOM 0 HA GLN A 61 5.253 0.550 5.483 1.00 61.53 H new ATOM 0 HB2 GLN A 61 7.622 0.236 7.328 1.00 12.34 H new ATOM 0 HB3 GLN A 61 6.238 1.298 7.491 1.00 12.34 H new ATOM 0 HG2 GLN A 61 5.426 -0.219 8.933 1.00 64.14 H new ATOM 0 HG3 GLN A 61 5.043 -1.190 7.526 1.00 64.14 H new ATOM 0 HE21 GLN A 61 7.755 -0.609 9.783 1.00 43.20 H new ATOM 0 HE22 GLN A 61 8.306 -2.287 9.720 1.00 43.20 H new ATOM 942 N VAL A 62 6.868 1.985 4.276 1.00 33.54 N ATOM 943 CA VAL A 62 7.765 2.783 3.448 1.00 61.31 C ATOM 944 C VAL A 62 7.925 4.190 4.010 1.00 70.15 C ATOM 945 O VAL A 62 6.941 4.899 4.228 1.00 3.11 O ATOM 946 CB VAL A 62 7.254 2.875 1.998 1.00 24.20 C ATOM 947 CG1 VAL A 62 8.198 3.714 1.152 1.00 11.54 C ATOM 948 CG2 VAL A 62 7.084 1.485 1.404 1.00 3.34 C ATOM 0 H VAL A 62 5.927 2.367 4.367 1.00 33.54 H new ATOM 0 HA VAL A 62 8.733 2.282 3.454 1.00 61.31 H new ATOM 0 HB VAL A 62 6.280 3.363 2.004 1.00 24.20 H new ATOM 0 HG11 VAL A 62 7.821 3.768 0.131 1.00 11.54 H new ATOM 0 HG12 VAL A 62 8.263 4.719 1.568 1.00 11.54 H new ATOM 0 HG13 VAL A 62 9.188 3.257 1.150 1.00 11.54 H new ATOM 0 HG21 VAL A 62 6.722 1.569 0.379 1.00 3.34 H new ATOM 0 HG22 VAL A 62 8.043 0.967 1.409 1.00 3.34 H new ATOM 0 HG23 VAL A 62 6.364 0.921 1.998 1.00 3.34 H new ATOM 958 N ASP A 63 9.170 4.590 4.242 1.00 53.24 N ATOM 959 CA ASP A 63 9.460 5.916 4.777 1.00 51.43 C ATOM 960 C ASP A 63 10.245 6.749 3.769 1.00 1.21 C ATOM 961 O ASP A 63 11.266 6.305 3.242 1.00 44.42 O ATOM 962 CB ASP A 63 10.245 5.801 6.085 1.00 40.51 C ATOM 963 CG ASP A 63 10.092 7.028 6.962 1.00 1.22 C ATOM 964 OD1 ASP A 63 10.218 8.153 6.436 1.00 0.30 O ATOM 965 OD2 ASP A 63 9.845 6.862 8.175 1.00 11.10 O ATOM 0 H ASP A 63 9.995 4.016 4.068 1.00 53.24 H new ATOM 0 HA ASP A 63 8.512 6.417 4.974 1.00 51.43 H new ATOM 0 HB2 ASP A 63 9.906 4.922 6.633 1.00 40.51 H new ATOM 0 HB3 ASP A 63 11.300 5.648 5.860 1.00 40.51 H new ATOM 969 N LEU A 64 9.763 7.959 3.505 1.00 22.52 N ATOM 970 CA LEU A 64 10.420 8.855 2.559 1.00 64.24 C ATOM 971 C LEU A 64 11.287 9.876 3.288 1.00 60.13 C ATOM 972 O LEU A 64 12.484 9.986 3.031 1.00 4.53 O ATOM 973 CB LEU A 64 9.378 9.573 1.701 1.00 41.45 C ATOM 974 CG LEU A 64 8.966 8.863 0.410 1.00 1.22 C ATOM 975 CD1 LEU A 64 8.352 7.507 0.719 1.00 51.02 C ATOM 976 CD2 LEU A 64 7.994 9.723 -0.385 1.00 4.43 C ATOM 0 H LEU A 64 8.920 8.342 3.933 1.00 22.52 H new ATOM 0 HA LEU A 64 11.063 8.256 1.914 1.00 64.24 H new ATOM 0 HB2 LEU A 64 8.485 9.731 2.306 1.00 41.45 H new ATOM 0 HB3 LEU A 64 9.766 10.558 1.442 1.00 41.45 H new ATOM 0 HG LEU A 64 9.858 8.705 -0.196 1.00 1.22 H new ATOM 0 HD11 LEU A 64 8.065 7.017 -0.211 1.00 51.02 H new ATOM 0 HD12 LEU A 64 9.080 6.889 1.245 1.00 51.02 H new ATOM 0 HD13 LEU A 64 7.470 7.641 1.345 1.00 51.02 H new ATOM 0 HD21 LEU A 64 7.712 9.202 -1.300 1.00 4.43 H new ATOM 0 HD22 LEU A 64 7.103 9.913 0.214 1.00 4.43 H new ATOM 0 HD23 LEU A 64 8.470 10.670 -0.639 1.00 4.43 H new ATOM 987 N GLY A 65 10.672 10.621 4.202 1.00 14.11 N ATOM 988 CA GLY A 65 11.403 11.623 4.956 1.00 60.21 C ATOM 989 C GLY A 65 11.596 12.909 4.177 1.00 63.20 C ATOM 990 O GLY A 65 12.143 13.883 4.696 1.00 2.42 O ATOM 0 H GLY A 65 9.681 10.549 4.434 1.00 14.11 H new ATOM 0 HA2 GLY A 65 10.868 11.839 5.881 1.00 60.21 H new ATOM 0 HA3 GLY A 65 12.377 11.223 5.237 1.00 60.21 H new ATOM 994 N THR A 66 11.148 12.913 2.925 1.00 53.11 N ATOM 995 CA THR A 66 11.276 14.088 2.072 1.00 11.42 C ATOM 996 C THR A 66 9.926 14.763 1.860 1.00 55.20 C ATOM 997 O THR A 66 9.841 15.808 1.214 1.00 42.00 O ATOM 998 CB THR A 66 11.876 13.723 0.701 1.00 12.22 C ATOM 999 OG1 THR A 66 12.120 14.912 -0.058 1.00 4.53 O ATOM 1000 CG2 THR A 66 10.942 12.804 -0.071 1.00 42.03 C ATOM 0 H THR A 66 10.694 12.116 2.480 1.00 53.11 H new ATOM 0 HA THR A 66 11.948 14.778 2.582 1.00 11.42 H new ATOM 0 HB THR A 66 12.817 13.200 0.868 1.00 12.22 H new ATOM 0 HG1 THR A 66 11.444 15.586 0.163 1.00 4.53 H new ATOM 0 HG21 THR A 66 11.387 12.560 -1.036 1.00 42.03 H new ATOM 0 HG22 THR A 66 10.782 11.888 0.497 1.00 42.03 H new ATOM 0 HG23 THR A 66 9.987 13.305 -0.228 1.00 42.03 H new ATOM 1008 N GLN A 67 8.875 14.162 2.407 1.00 11.05 N ATOM 1009 CA GLN A 67 7.530 14.707 2.277 1.00 40.01 C ATOM 1010 C GLN A 67 7.190 14.976 0.815 1.00 24.35 C ATOM 1011 O GLN A 67 7.433 16.068 0.302 1.00 73.35 O ATOM 1012 CB GLN A 67 7.398 15.997 3.089 1.00 24.33 C ATOM 1013 CG GLN A 67 5.959 16.420 3.331 1.00 64.41 C ATOM 1014 CD GLN A 67 5.848 17.608 4.264 1.00 14.10 C ATOM 1015 OE1 GLN A 67 6.808 17.968 4.947 1.00 24.14 O ATOM 1016 NE2 GLN A 67 4.674 18.228 4.299 1.00 3.12 N ATOM 0 H GLN A 67 8.929 13.297 2.945 1.00 11.05 H new ATOM 0 HA GLN A 67 6.828 13.969 2.664 1.00 40.01 H new ATOM 0 HB2 GLN A 67 7.895 15.864 4.050 1.00 24.33 H new ATOM 0 HB3 GLN A 67 7.921 16.799 2.568 1.00 24.33 H new ATOM 0 HG2 GLN A 67 5.492 16.667 2.378 1.00 64.41 H new ATOM 0 HG3 GLN A 67 5.404 15.581 3.750 1.00 64.41 H new ATOM 0 HE21 GLN A 67 3.905 17.897 3.717 1.00 3.12 H new ATOM 0 HE22 GLN A 67 4.542 19.035 4.908 1.00 3.12 H new ATOM 1023 N ARG A 68 6.629 13.972 0.149 1.00 0.21 N ATOM 1024 CA ARG A 68 6.258 14.100 -1.256 1.00 12.15 C ATOM 1025 C ARG A 68 4.759 13.890 -1.443 1.00 44.31 C ATOM 1026 O ARG A 68 4.124 13.168 -0.675 1.00 43.13 O ATOM 1027 CB ARG A 68 7.036 13.092 -2.105 1.00 62.40 C ATOM 1028 CG ARG A 68 8.419 13.575 -2.509 1.00 43.35 C ATOM 1029 CD ARG A 68 8.339 14.717 -3.510 1.00 41.41 C ATOM 1030 NE ARG A 68 9.454 15.649 -3.367 1.00 13.21 N ATOM 1031 CZ ARG A 68 9.460 16.873 -3.883 1.00 22.12 C ATOM 1032 NH1 ARG A 68 8.415 17.311 -4.571 1.00 3.22 N ATOM 1033 NH2 ARG A 68 10.513 17.662 -3.710 1.00 51.13 N ATOM 0 H ARG A 68 6.421 13.061 0.559 1.00 0.21 H new ATOM 0 HA ARG A 68 6.509 15.109 -1.582 1.00 12.15 H new ATOM 0 HB2 ARG A 68 7.134 12.160 -1.548 1.00 62.40 H new ATOM 0 HB3 ARG A 68 6.462 12.867 -3.004 1.00 62.40 H new ATOM 0 HG2 ARG A 68 8.964 13.903 -1.624 1.00 43.35 H new ATOM 0 HG3 ARG A 68 8.982 12.748 -2.942 1.00 43.35 H new ATOM 0 HD2 ARG A 68 8.332 14.312 -4.522 1.00 41.41 H new ATOM 0 HD3 ARG A 68 7.399 15.252 -3.375 1.00 41.41 H new ATOM 0 HE ARG A 68 10.273 15.343 -2.842 1.00 13.21 H new ATOM 0 HH11 ARG A 68 7.604 16.708 -4.705 1.00 3.22 H new ATOM 0 HH12 ARG A 68 8.422 18.251 -4.966 1.00 3.22 H new ATOM 0 HH21 ARG A 68 11.319 17.329 -3.180 1.00 51.13 H new ATOM 0 HH22 ARG A 68 10.517 18.602 -4.107 1.00 51.13 H new ATOM 1044 N GLN A 69 4.201 14.525 -2.469 1.00 35.13 N ATOM 1045 CA GLN A 69 2.777 14.408 -2.755 1.00 75.03 C ATOM 1046 C GLN A 69 2.521 13.350 -3.823 1.00 3.22 C ATOM 1047 O GLN A 69 2.985 13.472 -4.957 1.00 12.42 O ATOM 1048 CB GLN A 69 2.214 15.756 -3.211 1.00 41.23 C ATOM 1049 CG GLN A 69 0.927 15.639 -4.012 1.00 53.11 C ATOM 1050 CD GLN A 69 0.245 16.977 -4.220 1.00 73.21 C ATOM 1051 OE1 GLN A 69 0.861 18.032 -4.062 1.00 60.23 O ATOM 1052 NE2 GLN A 69 -1.033 16.941 -4.575 1.00 62.12 N ATOM 0 H GLN A 69 4.713 15.125 -3.115 1.00 35.13 H new ATOM 0 HA GLN A 69 2.272 14.102 -1.838 1.00 75.03 H new ATOM 0 HB2 GLN A 69 2.032 16.379 -2.335 1.00 41.23 H new ATOM 0 HB3 GLN A 69 2.963 16.267 -3.816 1.00 41.23 H new ATOM 0 HG2 GLN A 69 1.147 15.193 -4.982 1.00 53.11 H new ATOM 0 HG3 GLN A 69 0.244 14.963 -3.498 1.00 53.11 H new ATOM 0 HE21 GLN A 69 -1.504 16.044 -4.695 1.00 62.12 H new ATOM 0 HE22 GLN A 69 -1.544 17.810 -4.728 1.00 62.12 H new ATOM 1059 N VAL A 70 1.781 12.310 -3.454 1.00 62.35 N ATOM 1060 CA VAL A 70 1.463 11.230 -4.380 1.00 60.13 C ATOM 1061 C VAL A 70 0.189 11.533 -5.161 1.00 71.51 C ATOM 1062 O VAL A 70 -0.737 12.159 -4.643 1.00 22.20 O ATOM 1063 CB VAL A 70 1.293 9.889 -3.642 1.00 62.22 C ATOM 1064 CG1 VAL A 70 2.542 9.559 -2.840 1.00 25.32 C ATOM 1065 CG2 VAL A 70 0.067 9.928 -2.741 1.00 43.43 C ATOM 0 H VAL A 70 1.390 12.192 -2.519 1.00 62.35 H new ATOM 0 HA VAL A 70 2.301 11.151 -5.073 1.00 60.13 H new ATOM 0 HB VAL A 70 1.147 9.103 -4.383 1.00 62.22 H new ATOM 0 HG11 VAL A 70 2.403 8.608 -2.325 1.00 25.32 H new ATOM 0 HG12 VAL A 70 3.397 9.487 -3.512 1.00 25.32 H new ATOM 0 HG13 VAL A 70 2.722 10.345 -2.107 1.00 25.32 H new ATOM 0 HG21 VAL A 70 -0.038 8.972 -2.227 1.00 43.43 H new ATOM 0 HG22 VAL A 70 0.181 10.725 -2.006 1.00 43.43 H new ATOM 0 HG23 VAL A 70 -0.822 10.115 -3.344 1.00 43.43 H new ATOM 1075 N THR A 71 0.147 11.084 -6.412 1.00 13.31 N ATOM 1076 CA THR A 71 -1.013 11.307 -7.266 1.00 13.30 C ATOM 1077 C THR A 71 -1.403 10.034 -8.006 1.00 65.33 C ATOM 1078 O THR A 71 -2.132 10.078 -8.996 1.00 24.30 O ATOM 1079 CB THR A 71 -0.747 12.424 -8.293 1.00 43.34 C ATOM 1080 OG1 THR A 71 0.479 13.094 -7.983 1.00 31.33 O ATOM 1081 CG2 THR A 71 -1.890 13.427 -8.309 1.00 54.21 C ATOM 0 H THR A 71 0.904 10.564 -6.856 1.00 13.31 H new ATOM 0 HA THR A 71 -1.832 11.610 -6.614 1.00 13.30 H new ATOM 0 HB THR A 71 -0.671 11.969 -9.280 1.00 43.34 H new ATOM 0 HG1 THR A 71 0.609 13.842 -8.603 1.00 31.33 H new ATOM 0 HG21 THR A 71 -1.680 14.206 -9.042 1.00 54.21 H new ATOM 0 HG22 THR A 71 -2.817 12.919 -8.576 1.00 54.21 H new ATOM 0 HG23 THR A 71 -1.994 13.876 -7.321 1.00 54.21 H new ATOM 1089 N GLY A 72 -0.915 8.896 -7.517 1.00 53.44 N ATOM 1090 CA GLY A 72 -1.226 7.626 -8.145 1.00 30.13 C ATOM 1091 C GLY A 72 -0.320 6.508 -7.668 1.00 63.43 C ATOM 1092 O GLY A 72 0.735 6.760 -7.085 1.00 43.04 O ATOM 0 H GLY A 72 -0.311 8.833 -6.698 1.00 53.44 H new ATOM 0 HA2 GLY A 72 -2.263 7.364 -7.935 1.00 30.13 H new ATOM 0 HA3 GLY A 72 -1.136 7.727 -9.227 1.00 30.13 H new ATOM 1096 N ILE A 73 -0.733 5.269 -7.914 1.00 63.13 N ATOM 1097 CA ILE A 73 0.047 4.108 -7.505 1.00 3.12 C ATOM 1098 C ILE A 73 -0.190 2.928 -8.441 1.00 35.14 C ATOM 1099 O ILE A 73 -1.012 3.003 -9.354 1.00 1.12 O ATOM 1100 CB ILE A 73 -0.291 3.681 -6.064 1.00 54.11 C ATOM 1101 CG1 ILE A 73 -1.661 3.001 -6.018 1.00 75.05 C ATOM 1102 CG2 ILE A 73 -0.259 4.886 -5.134 1.00 70.44 C ATOM 1103 CD1 ILE A 73 -2.809 3.935 -6.333 1.00 42.01 C ATOM 0 H ILE A 73 -1.604 5.044 -8.395 1.00 63.13 H new ATOM 0 HA ILE A 73 1.096 4.401 -7.552 1.00 3.12 H new ATOM 0 HB ILE A 73 0.459 2.966 -5.727 1.00 54.11 H new ATOM 0 HG12 ILE A 73 -1.671 2.173 -6.727 1.00 75.05 H new ATOM 0 HG13 ILE A 73 -1.812 2.573 -5.027 1.00 75.05 H new ATOM 0 HG21 ILE A 73 -0.500 4.569 -4.119 1.00 70.44 H new ATOM 0 HG22 ILE A 73 0.736 5.331 -5.149 1.00 70.44 H new ATOM 0 HG23 ILE A 73 -0.990 5.622 -5.467 1.00 70.44 H new ATOM 0 HD11 ILE A 73 -3.749 3.386 -6.282 1.00 42.01 H new ATOM 0 HD12 ILE A 73 -2.825 4.749 -5.609 1.00 42.01 H new ATOM 0 HD13 ILE A 73 -2.681 4.343 -7.335 1.00 42.01 H new ATOM 1114 N ILE A 74 0.536 1.839 -8.207 1.00 72.14 N ATOM 1115 CA ILE A 74 0.401 0.642 -9.027 1.00 1.50 C ATOM 1116 C ILE A 74 0.944 -0.585 -8.303 1.00 73.22 C ATOM 1117 O ILE A 74 1.921 -0.499 -7.558 1.00 21.02 O ATOM 1118 CB ILE A 74 1.136 0.797 -10.372 1.00 3.54 C ATOM 1119 CG1 ILE A 74 0.799 -0.373 -11.299 1.00 42.50 C ATOM 1120 CG2 ILE A 74 2.639 0.885 -10.147 1.00 42.40 C ATOM 1121 CD1 ILE A 74 1.777 -1.523 -11.202 1.00 13.00 C ATOM 0 H ILE A 74 1.223 1.762 -7.457 1.00 72.14 H new ATOM 0 HA ILE A 74 -0.664 0.507 -9.216 1.00 1.50 H new ATOM 0 HB ILE A 74 0.804 1.720 -10.847 1.00 3.54 H new ATOM 0 HG12 ILE A 74 -0.201 -0.737 -11.063 1.00 42.50 H new ATOM 0 HG13 ILE A 74 0.773 -0.015 -12.328 1.00 42.50 H new ATOM 0 HG21 ILE A 74 3.145 0.994 -11.106 1.00 42.40 H new ATOM 0 HG22 ILE A 74 2.863 1.747 -9.519 1.00 42.40 H new ATOM 0 HG23 ILE A 74 2.987 -0.023 -9.655 1.00 42.40 H new ATOM 0 HD11 ILE A 74 1.475 -2.316 -11.887 1.00 13.00 H new ATOM 0 HD12 ILE A 74 2.775 -1.175 -11.467 1.00 13.00 H new ATOM 0 HD13 ILE A 74 1.786 -1.908 -10.182 1.00 13.00 H new ATOM 1132 N THR A 75 0.305 -1.729 -8.526 1.00 71.51 N ATOM 1133 CA THR A 75 0.723 -2.974 -7.895 1.00 51.45 C ATOM 1134 C THR A 75 0.954 -4.065 -8.933 1.00 3.15 C ATOM 1135 O THR A 75 0.108 -4.304 -9.794 1.00 3.42 O ATOM 1136 CB THR A 75 -0.322 -3.465 -6.875 1.00 10.24 C ATOM 1137 OG1 THR A 75 -0.560 -2.452 -5.891 1.00 3.44 O ATOM 1138 CG2 THR A 75 0.147 -4.742 -6.192 1.00 12.40 C ATOM 0 H THR A 75 -0.505 -1.819 -9.140 1.00 71.51 H new ATOM 0 HA THR A 75 1.658 -2.767 -7.375 1.00 51.45 H new ATOM 0 HB THR A 75 -1.248 -3.676 -7.410 1.00 10.24 H new ATOM 0 HG1 THR A 75 -1.227 -2.771 -5.247 1.00 3.44 H new ATOM 0 HG21 THR A 75 -0.607 -5.070 -5.476 1.00 12.40 H new ATOM 0 HG22 THR A 75 0.300 -5.520 -6.940 1.00 12.40 H new ATOM 0 HG23 THR A 75 1.085 -4.552 -5.670 1.00 12.40 H new ATOM 1146 N GLN A 76 2.105 -4.725 -8.845 1.00 25.31 N ATOM 1147 CA GLN A 76 2.446 -5.793 -9.778 1.00 15.23 C ATOM 1148 C GLN A 76 2.769 -7.084 -9.034 1.00 3.13 C ATOM 1149 O GLN A 76 3.488 -7.074 -8.036 1.00 31.03 O ATOM 1150 CB GLN A 76 3.636 -5.379 -10.645 1.00 44.22 C ATOM 1151 CG GLN A 76 3.395 -5.561 -12.135 1.00 54.42 C ATOM 1152 CD GLN A 76 4.620 -6.076 -12.865 1.00 44.31 C ATOM 1153 OE1 GLN A 76 5.274 -5.338 -13.603 1.00 63.12 O ATOM 1154 NE2 GLN A 76 4.937 -7.350 -12.664 1.00 63.01 N ATOM 0 H GLN A 76 2.816 -4.539 -8.138 1.00 25.31 H new ATOM 0 HA GLN A 76 1.582 -5.971 -10.419 1.00 15.23 H new ATOM 0 HB2 GLN A 76 3.872 -4.333 -10.449 1.00 44.22 H new ATOM 0 HB3 GLN A 76 4.509 -5.963 -10.352 1.00 44.22 H new ATOM 0 HG2 GLN A 76 2.569 -6.257 -12.283 1.00 54.42 H new ATOM 0 HG3 GLN A 76 3.092 -4.608 -12.569 1.00 54.42 H new ATOM 0 HE21 GLN A 76 4.367 -7.926 -12.044 1.00 63.01 H new ATOM 0 HE22 GLN A 76 5.750 -7.753 -13.130 1.00 63.01 H new ATOM 1161 N GLY A 77 2.233 -8.196 -9.527 1.00 32.11 N ATOM 1162 CA GLY A 77 2.475 -9.480 -8.896 1.00 24.42 C ATOM 1163 C GLY A 77 3.818 -10.070 -9.279 1.00 21.41 C ATOM 1164 O GLY A 77 4.456 -9.615 -10.227 1.00 50.21 O ATOM 0 H GLY A 77 1.635 -8.231 -10.353 1.00 32.11 H new ATOM 0 HA2 GLY A 77 2.428 -9.364 -7.813 1.00 24.42 H new ATOM 0 HA3 GLY A 77 1.683 -10.174 -9.177 1.00 24.42 H new ATOM 1168 N ALA A 78 4.250 -11.085 -8.538 1.00 62.45 N ATOM 1169 CA ALA A 78 5.526 -11.738 -8.804 1.00 65.35 C ATOM 1170 C ALA A 78 5.383 -13.256 -8.767 1.00 73.21 C ATOM 1171 O ALA A 78 4.418 -13.785 -8.215 1.00 10.42 O ATOM 1172 CB ALA A 78 6.574 -11.279 -7.802 1.00 62.53 C ATOM 0 H ALA A 78 3.735 -11.473 -7.748 1.00 62.45 H new ATOM 0 HA ALA A 78 5.850 -11.454 -9.805 1.00 65.35 H new ATOM 0 HB1 ALA A 78 7.521 -11.775 -8.013 1.00 62.53 H new ATOM 0 HB2 ALA A 78 6.704 -10.200 -7.880 1.00 62.53 H new ATOM 0 HB3 ALA A 78 6.249 -11.533 -6.793 1.00 62.53 H new ATOM 1178 N ARG A 79 6.350 -13.951 -9.357 1.00 12.32 N ATOM 1179 CA ARG A 79 6.332 -15.408 -9.392 1.00 61.23 C ATOM 1180 C ARG A 79 7.560 -15.985 -8.694 1.00 43.54 C ATOM 1181 O ARG A 79 8.592 -15.323 -8.585 1.00 72.24 O ATOM 1182 CB ARG A 79 6.274 -15.904 -10.838 1.00 61.13 C ATOM 1183 CG ARG A 79 7.384 -15.350 -11.717 1.00 24.43 C ATOM 1184 CD ARG A 79 7.214 -15.782 -13.165 1.00 14.54 C ATOM 1185 NE ARG A 79 7.732 -14.783 -14.097 1.00 44.31 N ATOM 1186 CZ ARG A 79 9.025 -14.608 -14.344 1.00 62.21 C ATOM 1187 NH1 ARG A 79 9.929 -15.361 -13.732 1.00 65.51 N ATOM 1188 NH2 ARG A 79 9.417 -13.678 -15.206 1.00 23.12 N ATOM 0 H ARG A 79 7.156 -13.528 -9.817 1.00 12.32 H new ATOM 0 HA ARG A 79 5.442 -15.748 -8.862 1.00 61.23 H new ATOM 0 HB2 ARG A 79 6.328 -16.993 -10.842 1.00 61.13 H new ATOM 0 HB3 ARG A 79 5.311 -15.631 -11.269 1.00 61.13 H new ATOM 0 HG2 ARG A 79 7.387 -14.262 -11.659 1.00 24.43 H new ATOM 0 HG3 ARG A 79 8.350 -15.692 -11.345 1.00 24.43 H new ATOM 0 HD2 ARG A 79 7.730 -16.729 -13.324 1.00 14.54 H new ATOM 0 HD3 ARG A 79 6.158 -15.956 -13.370 1.00 14.54 H new ATOM 0 HE ARG A 79 7.063 -14.187 -14.585 1.00 44.31 H new ATOM 0 HH11 ARG A 79 9.632 -16.077 -13.069 1.00 65.51 H new ATOM 0 HH12 ARG A 79 10.921 -15.224 -13.924 1.00 65.51 H new ATOM 0 HH21 ARG A 79 8.725 -13.097 -15.679 1.00 23.12 H new ATOM 0 HH22 ARG A 79 10.410 -13.544 -15.395 1.00 23.12 H new ATOM 1199 N ASP A 80 7.441 -17.221 -8.224 1.00 21.42 N ATOM 1200 CA ASP A 80 8.542 -17.888 -7.538 1.00 34.20 C ATOM 1201 C ASP A 80 9.088 -19.039 -8.376 1.00 10.11 C ATOM 1202 O ASP A 80 8.960 -20.206 -8.005 1.00 4.23 O ATOM 1203 CB ASP A 80 8.081 -18.407 -6.174 1.00 10.21 C ATOM 1204 CG ASP A 80 9.185 -19.125 -5.425 1.00 31.03 C ATOM 1205 OD1 ASP A 80 10.262 -18.520 -5.232 1.00 24.43 O ATOM 1206 OD2 ASP A 80 8.974 -20.290 -5.029 1.00 4.23 O ATOM 0 H ASP A 80 6.593 -17.782 -8.305 1.00 21.42 H new ATOM 0 HA ASP A 80 9.340 -17.160 -7.391 1.00 34.20 H new ATOM 0 HB2 ASP A 80 7.722 -17.572 -5.573 1.00 10.21 H new ATOM 0 HB3 ASP A 80 7.239 -19.085 -6.312 1.00 10.21 H new ATOM 1210 N PHE A 81 9.697 -18.702 -9.508 1.00 24.24 N ATOM 1211 CA PHE A 81 10.261 -19.708 -10.400 1.00 45.01 C ATOM 1212 C PHE A 81 9.230 -20.785 -10.728 1.00 12.11 C ATOM 1213 O PHE A 81 9.267 -21.883 -10.175 1.00 15.32 O ATOM 1214 CB PHE A 81 11.499 -20.346 -9.767 1.00 21.30 C ATOM 1215 CG PHE A 81 12.416 -19.354 -9.112 1.00 13.32 C ATOM 1216 CD1 PHE A 81 12.208 -18.958 -7.801 1.00 11.15 C ATOM 1217 CD2 PHE A 81 13.488 -18.817 -9.808 1.00 24.40 C ATOM 1218 CE1 PHE A 81 13.052 -18.045 -7.197 1.00 53.34 C ATOM 1219 CE2 PHE A 81 14.335 -17.904 -9.209 1.00 41.52 C ATOM 1220 CZ PHE A 81 14.117 -17.517 -7.901 1.00 43.00 C ATOM 0 H PHE A 81 9.812 -17.741 -9.829 1.00 24.24 H new ATOM 0 HA PHE A 81 10.550 -19.213 -11.327 1.00 45.01 H new ATOM 0 HB2 PHE A 81 11.181 -21.079 -9.026 1.00 21.30 H new ATOM 0 HB3 PHE A 81 12.052 -20.888 -10.535 1.00 21.30 H new ATOM 0 HD1 PHE A 81 11.377 -19.367 -7.245 1.00 11.15 H new ATOM 0 HD2 PHE A 81 13.663 -19.116 -10.831 1.00 24.40 H new ATOM 0 HE1 PHE A 81 12.879 -17.744 -6.174 1.00 53.34 H new ATOM 0 HE2 PHE A 81 15.166 -17.494 -9.763 1.00 41.52 H new ATOM 0 HZ PHE A 81 14.777 -16.804 -7.430 1.00 43.00 H new ATOM 1229 N GLY A 82 8.311 -20.460 -11.632 1.00 31.40 N ATOM 1230 CA GLY A 82 7.282 -21.408 -12.017 1.00 34.22 C ATOM 1231 C GLY A 82 5.928 -21.065 -11.428 1.00 64.13 C ATOM 1232 O GLY A 82 4.986 -20.757 -12.159 1.00 62.43 O ATOM 0 H GLY A 82 8.261 -19.557 -12.104 1.00 31.40 H new ATOM 0 HA2 GLY A 82 7.206 -21.435 -13.104 1.00 34.22 H new ATOM 0 HA3 GLY A 82 7.573 -22.407 -11.693 1.00 34.22 H new ATOM 1236 N HIS A 83 5.829 -21.121 -10.104 1.00 62.34 N ATOM 1237 CA HIS A 83 4.578 -20.815 -9.417 1.00 3.51 C ATOM 1238 C HIS A 83 4.320 -19.311 -9.404 1.00 62.44 C ATOM 1239 O HIS A 83 5.104 -18.542 -8.849 1.00 14.03 O ATOM 1240 CB HIS A 83 4.614 -21.351 -7.986 1.00 73.44 C ATOM 1241 CG HIS A 83 3.422 -22.187 -7.630 1.00 41.31 C ATOM 1242 ND1 HIS A 83 3.524 -23.437 -7.058 1.00 2.24 N ATOM 1243 CD2 HIS A 83 2.098 -21.943 -7.767 1.00 32.44 C ATOM 1244 CE1 HIS A 83 2.314 -23.928 -6.859 1.00 10.43 C ATOM 1245 NE2 HIS A 83 1.430 -23.041 -7.280 1.00 10.00 N ATOM 0 H HIS A 83 6.599 -21.375 -9.485 1.00 62.34 H new ATOM 0 HA HIS A 83 3.766 -21.300 -9.958 1.00 3.51 H new ATOM 0 HB2 HIS A 83 5.518 -21.945 -7.852 1.00 73.44 H new ATOM 0 HB3 HIS A 83 4.679 -20.512 -7.294 1.00 73.44 H new ATOM 0 HD2 HIS A 83 1.650 -21.052 -8.182 1.00 32.44 H new ATOM 0 HE1 HIS A 83 2.086 -24.891 -6.426 1.00 10.43 H new ATOM 0 HE2 HIS A 83 0.417 -23.153 -7.249 1.00 10.00 H new ATOM 1252 N ILE A 84 3.216 -18.900 -10.020 1.00 22.30 N ATOM 1253 CA ILE A 84 2.856 -17.489 -10.078 1.00 74.23 C ATOM 1254 C ILE A 84 2.055 -17.076 -8.847 1.00 73.14 C ATOM 1255 O ILE A 84 1.038 -17.689 -8.522 1.00 34.44 O ATOM 1256 CB ILE A 84 2.036 -17.169 -11.342 1.00 72.54 C ATOM 1257 CG1 ILE A 84 2.837 -17.516 -12.598 1.00 35.34 C ATOM 1258 CG2 ILE A 84 1.630 -15.703 -11.353 1.00 2.14 C ATOM 1259 CD1 ILE A 84 2.278 -18.692 -13.366 1.00 22.21 C ATOM 0 H ILE A 84 2.556 -19.524 -10.485 1.00 22.30 H new ATOM 0 HA ILE A 84 3.789 -16.925 -10.108 1.00 74.23 H new ATOM 0 HB ILE A 84 1.131 -17.776 -11.333 1.00 72.54 H new ATOM 0 HG12 ILE A 84 2.865 -16.645 -13.253 1.00 35.34 H new ATOM 0 HG13 ILE A 84 3.866 -17.734 -12.314 1.00 35.34 H new ATOM 0 HG21 ILE A 84 1.051 -15.492 -12.252 1.00 2.14 H new ATOM 0 HG22 ILE A 84 1.024 -15.487 -10.473 1.00 2.14 H new ATOM 0 HG23 ILE A 84 2.523 -15.078 -11.342 1.00 2.14 H new ATOM 0 HD11 ILE A 84 2.896 -18.881 -14.244 1.00 22.21 H new ATOM 0 HD12 ILE A 84 2.275 -19.575 -12.727 1.00 22.21 H new ATOM 0 HD13 ILE A 84 1.259 -18.469 -13.681 1.00 22.21 H new ATOM 1270 N GLN A 85 2.519 -16.031 -8.170 1.00 73.14 N ATOM 1271 CA GLN A 85 1.845 -15.535 -6.976 1.00 55.13 C ATOM 1272 C GLN A 85 1.433 -14.077 -7.150 1.00 52.15 C ATOM 1273 O GLN A 85 1.902 -13.393 -8.060 1.00 70.33 O ATOM 1274 CB GLN A 85 2.755 -15.677 -5.754 1.00 31.13 C ATOM 1275 CG GLN A 85 3.385 -17.054 -5.622 1.00 43.10 C ATOM 1276 CD GLN A 85 4.888 -16.993 -5.434 1.00 74.41 C ATOM 1277 OE1 GLN A 85 5.440 -17.635 -4.540 1.00 22.33 O ATOM 1278 NE2 GLN A 85 5.559 -16.218 -6.277 1.00 63.01 N ATOM 0 H GLN A 85 3.358 -15.512 -8.428 1.00 73.14 H new ATOM 0 HA GLN A 85 0.946 -16.132 -6.822 1.00 55.13 H new ATOM 0 HB2 GLN A 85 3.546 -14.929 -5.811 1.00 31.13 H new ATOM 0 HB3 GLN A 85 2.178 -15.463 -4.855 1.00 31.13 H new ATOM 0 HG2 GLN A 85 2.938 -17.574 -4.775 1.00 43.10 H new ATOM 0 HG3 GLN A 85 3.158 -17.640 -6.512 1.00 43.10 H new ATOM 0 HE21 GLN A 85 5.061 -15.703 -7.003 1.00 63.01 H new ATOM 0 HE22 GLN A 85 6.573 -16.137 -6.199 1.00 63.01 H new ATOM 1285 N TYR A 86 0.553 -13.607 -6.272 1.00 22.11 N ATOM 1286 CA TYR A 86 0.075 -12.231 -6.331 1.00 42.01 C ATOM 1287 C TYR A 86 -0.861 -11.929 -5.164 1.00 44.33 C ATOM 1288 O TYR A 86 -1.545 -12.818 -4.656 1.00 43.13 O ATOM 1289 CB TYR A 86 -0.645 -11.974 -7.656 1.00 3.32 C ATOM 1290 CG TYR A 86 -1.852 -12.859 -7.871 1.00 41.43 C ATOM 1291 CD1 TYR A 86 -1.705 -14.196 -8.220 1.00 73.00 C ATOM 1292 CD2 TYR A 86 -3.139 -12.358 -7.724 1.00 41.35 C ATOM 1293 CE1 TYR A 86 -2.805 -15.008 -8.418 1.00 52.01 C ATOM 1294 CE2 TYR A 86 -4.246 -13.162 -7.920 1.00 21.13 C ATOM 1295 CZ TYR A 86 -4.073 -14.486 -8.266 1.00 74.12 C ATOM 1296 OH TYR A 86 -5.172 -15.292 -8.461 1.00 32.12 O ATOM 0 H TYR A 86 0.157 -14.159 -5.511 1.00 22.11 H new ATOM 0 HA TYR A 86 0.939 -11.570 -6.261 1.00 42.01 H new ATOM 0 HB2 TYR A 86 -0.959 -10.931 -7.693 1.00 3.32 H new ATOM 0 HB3 TYR A 86 0.057 -12.125 -8.476 1.00 3.32 H new ATOM 0 HD1 TYR A 86 -0.714 -14.608 -8.339 1.00 73.00 H new ATOM 0 HD2 TYR A 86 -3.277 -11.322 -7.452 1.00 41.35 H new ATOM 0 HE1 TYR A 86 -2.673 -16.045 -8.690 1.00 52.01 H new ATOM 0 HE2 TYR A 86 -5.240 -12.756 -7.803 1.00 21.13 H new ATOM 0 HH TYR A 86 -5.989 -14.772 -8.314 1.00 32.12 H new ATOM 1305 N VAL A 87 -0.888 -10.668 -4.746 1.00 32.21 N ATOM 1306 CA VAL A 87 -1.741 -10.246 -3.641 1.00 20.15 C ATOM 1307 C VAL A 87 -3.072 -9.706 -4.151 1.00 23.42 C ATOM 1308 O VAL A 87 -3.164 -9.207 -5.272 1.00 23.14 O ATOM 1309 CB VAL A 87 -1.055 -9.167 -2.783 1.00 73.11 C ATOM 1310 CG1 VAL A 87 -1.840 -8.923 -1.503 1.00 64.35 C ATOM 1311 CG2 VAL A 87 0.379 -9.567 -2.470 1.00 41.54 C ATOM 0 H VAL A 87 -0.329 -9.920 -5.156 1.00 32.21 H new ATOM 0 HA VAL A 87 -1.922 -11.127 -3.025 1.00 20.15 H new ATOM 0 HB VAL A 87 -1.033 -8.237 -3.350 1.00 73.11 H new ATOM 0 HG11 VAL A 87 -1.340 -8.157 -0.910 1.00 64.35 H new ATOM 0 HG12 VAL A 87 -2.847 -8.589 -1.752 1.00 64.35 H new ATOM 0 HG13 VAL A 87 -1.896 -9.848 -0.929 1.00 64.35 H new ATOM 0 HG21 VAL A 87 0.848 -8.793 -1.863 1.00 41.54 H new ATOM 0 HG22 VAL A 87 0.383 -10.509 -1.922 1.00 41.54 H new ATOM 0 HG23 VAL A 87 0.935 -9.686 -3.400 1.00 41.54 H new ATOM 1321 N ALA A 88 -4.103 -9.807 -3.318 1.00 25.21 N ATOM 1322 CA ALA A 88 -5.430 -9.326 -3.682 1.00 2.14 C ATOM 1323 C ALA A 88 -5.836 -8.133 -2.825 1.00 50.13 C ATOM 1324 O ALA A 88 -5.863 -6.997 -3.298 1.00 51.41 O ATOM 1325 CB ALA A 88 -6.452 -10.446 -3.550 1.00 73.04 C ATOM 0 H ALA A 88 -4.044 -10.218 -2.386 1.00 25.21 H new ATOM 0 HA ALA A 88 -5.398 -8.999 -4.721 1.00 2.14 H new ATOM 0 HB1 ALA A 88 -7.438 -10.073 -3.825 1.00 73.04 H new ATOM 0 HB2 ALA A 88 -6.178 -11.268 -4.211 1.00 73.04 H new ATOM 0 HB3 ALA A 88 -6.472 -10.800 -2.519 1.00 73.04 H new ATOM 1331 N SER A 89 -6.151 -8.398 -1.561 1.00 65.22 N ATOM 1332 CA SER A 89 -6.561 -7.346 -0.639 1.00 55.11 C ATOM 1333 C SER A 89 -5.352 -6.741 0.067 1.00 13.04 C ATOM 1334 O SER A 89 -4.562 -7.452 0.689 1.00 32.35 O ATOM 1335 CB SER A 89 -7.545 -7.897 0.395 1.00 24.20 C ATOM 1336 OG SER A 89 -8.480 -8.776 -0.210 1.00 14.43 O ATOM 0 H SER A 89 -6.130 -9.332 -1.152 1.00 65.22 H new ATOM 0 HA SER A 89 -7.053 -6.564 -1.217 1.00 55.11 H new ATOM 0 HB2 SER A 89 -6.999 -8.424 1.177 1.00 24.20 H new ATOM 0 HB3 SER A 89 -8.073 -7.073 0.875 1.00 24.20 H new ATOM 0 HG SER A 89 -9.189 -8.991 0.431 1.00 14.43 H new ATOM 1341 N TYR A 90 -5.212 -5.424 -0.034 1.00 63.30 N ATOM 1342 CA TYR A 90 -4.097 -4.723 0.592 1.00 63.04 C ATOM 1343 C TYR A 90 -4.546 -3.376 1.152 1.00 65.23 C ATOM 1344 O TYR A 90 -5.373 -2.686 0.554 1.00 0.35 O ATOM 1345 CB TYR A 90 -2.966 -4.516 -0.417 1.00 21.45 C ATOM 1346 CG TYR A 90 -1.601 -4.882 0.121 1.00 22.21 C ATOM 1347 CD1 TYR A 90 -1.080 -4.243 1.240 1.00 62.02 C ATOM 1348 CD2 TYR A 90 -0.832 -5.866 -0.489 1.00 41.23 C ATOM 1349 CE1 TYR A 90 0.167 -4.574 1.734 1.00 14.43 C ATOM 1350 CE2 TYR A 90 0.415 -6.203 -0.001 1.00 12.22 C ATOM 1351 CZ TYR A 90 0.911 -5.554 1.111 1.00 72.45 C ATOM 1352 OH TYR A 90 2.153 -5.887 1.601 1.00 43.31 O ATOM 0 H TYR A 90 -5.857 -4.820 -0.544 1.00 63.30 H new ATOM 0 HA TYR A 90 -3.732 -5.336 1.416 1.00 63.04 H new ATOM 0 HB2 TYR A 90 -3.169 -5.113 -1.306 1.00 21.45 H new ATOM 0 HB3 TYR A 90 -2.956 -3.472 -0.730 1.00 21.45 H new ATOM 0 HD1 TYR A 90 -1.659 -3.475 1.731 1.00 62.02 H new ATOM 0 HD2 TYR A 90 -1.216 -6.376 -1.360 1.00 41.23 H new ATOM 0 HE1 TYR A 90 0.558 -4.068 2.604 1.00 14.43 H new ATOM 0 HE2 TYR A 90 0.999 -6.970 -0.487 1.00 12.22 H new ATOM 0 HH TYR A 90 2.544 -6.596 1.048 1.00 43.31 H new ATOM 1361 N LYS A 91 -3.995 -3.008 2.303 1.00 22.33 N ATOM 1362 CA LYS A 91 -4.334 -1.744 2.946 1.00 64.33 C ATOM 1363 C LYS A 91 -3.295 -0.676 2.628 1.00 52.32 C ATOM 1364 O LYS A 91 -2.099 -0.875 2.844 1.00 1.30 O ATOM 1365 CB LYS A 91 -4.443 -1.931 4.460 1.00 31.41 C ATOM 1366 CG LYS A 91 -5.706 -1.337 5.059 1.00 41.13 C ATOM 1367 CD LYS A 91 -5.716 0.179 4.945 1.00 62.42 C ATOM 1368 CE LYS A 91 -6.691 0.652 3.877 1.00 25.44 C ATOM 1369 NZ LYS A 91 -8.095 0.278 4.204 1.00 71.03 N ATOM 0 H LYS A 91 -3.310 -3.568 2.811 1.00 22.33 H new ATOM 0 HA LYS A 91 -5.298 -1.415 2.557 1.00 64.33 H new ATOM 0 HB2 LYS A 91 -4.409 -2.996 4.689 1.00 31.41 H new ATOM 0 HB3 LYS A 91 -3.576 -1.475 4.937 1.00 31.41 H new ATOM 0 HG2 LYS A 91 -6.579 -1.747 4.551 1.00 41.13 H new ATOM 0 HG3 LYS A 91 -5.783 -1.625 6.107 1.00 41.13 H new ATOM 0 HD2 LYS A 91 -5.988 0.615 5.906 1.00 62.42 H new ATOM 0 HD3 LYS A 91 -4.713 0.533 4.706 1.00 62.42 H new ATOM 0 HE2 LYS A 91 -6.618 1.735 3.773 1.00 25.44 H new ATOM 0 HE3 LYS A 91 -6.414 0.220 2.915 1.00 25.44 H new ATOM 0 HZ1 LYS A 91 -8.746 0.975 3.789 1.00 71.03 H new ATOM 0 HZ2 LYS A 91 -8.303 -0.664 3.815 1.00 71.03 H new ATOM 0 HZ3 LYS A 91 -8.218 0.261 5.237 1.00 71.03 H new ATOM 1379 N VAL A 92 -3.757 0.460 2.114 1.00 1.43 N ATOM 1380 CA VAL A 92 -2.867 1.561 1.769 1.00 42.50 C ATOM 1381 C VAL A 92 -3.091 2.759 2.686 1.00 24.43 C ATOM 1382 O VAL A 92 -4.113 3.438 2.597 1.00 50.25 O ATOM 1383 CB VAL A 92 -3.063 2.005 0.306 1.00 72.44 C ATOM 1384 CG1 VAL A 92 -2.059 3.086 -0.063 1.00 75.34 C ATOM 1385 CG2 VAL A 92 -2.946 0.814 -0.632 1.00 3.13 C ATOM 0 H VAL A 92 -4.743 0.641 1.928 1.00 1.43 H new ATOM 0 HA VAL A 92 -1.848 1.195 1.897 1.00 42.50 H new ATOM 0 HB VAL A 92 -4.064 2.423 0.202 1.00 72.44 H new ATOM 0 HG11 VAL A 92 -2.213 3.387 -1.099 1.00 75.34 H new ATOM 0 HG12 VAL A 92 -2.197 3.948 0.589 1.00 75.34 H new ATOM 0 HG13 VAL A 92 -1.047 2.699 0.056 1.00 75.34 H new ATOM 0 HG21 VAL A 92 -3.087 1.146 -1.661 1.00 3.13 H new ATOM 0 HG22 VAL A 92 -1.958 0.364 -0.528 1.00 3.13 H new ATOM 0 HG23 VAL A 92 -3.709 0.077 -0.381 1.00 3.13 H new ATOM 1395 N ALA A 93 -2.129 3.009 3.568 1.00 53.51 N ATOM 1396 CA ALA A 93 -2.220 4.126 4.501 1.00 43.21 C ATOM 1397 C ALA A 93 -1.010 5.046 4.376 1.00 63.44 C ATOM 1398 O ALA A 93 0.113 4.586 4.167 1.00 44.24 O ATOM 1399 CB ALA A 93 -2.351 3.613 5.927 1.00 64.13 C ATOM 0 H ALA A 93 -1.278 2.454 3.656 1.00 53.51 H new ATOM 0 HA ALA A 93 -3.110 4.704 4.252 1.00 43.21 H new ATOM 0 HB1 ALA A 93 -2.418 4.458 6.613 1.00 64.13 H new ATOM 0 HB2 ALA A 93 -3.250 3.003 6.013 1.00 64.13 H new ATOM 0 HB3 ALA A 93 -1.479 3.010 6.178 1.00 64.13 H new ATOM 1405 N HIS A 94 -1.246 6.348 4.507 1.00 62.54 N ATOM 1406 CA HIS A 94 -0.175 7.332 4.409 1.00 40.54 C ATOM 1407 C HIS A 94 -0.057 8.137 5.699 1.00 72.33 C ATOM 1408 O HIS A 94 -1.062 8.492 6.315 1.00 61.14 O ATOM 1409 CB HIS A 94 -0.423 8.272 3.228 1.00 73.31 C ATOM 1410 CG HIS A 94 -0.086 7.667 1.900 1.00 33.00 C ATOM 1411 ND1 HIS A 94 0.509 8.378 0.879 1.00 54.23 N ATOM 1412 CD2 HIS A 94 -0.261 6.411 1.430 1.00 4.02 C ATOM 1413 CE1 HIS A 94 0.683 7.585 -0.163 1.00 52.51 C ATOM 1414 NE2 HIS A 94 0.224 6.386 0.145 1.00 23.24 N ATOM 0 H HIS A 94 -2.169 6.745 4.681 1.00 62.54 H new ATOM 0 HA HIS A 94 0.761 6.798 4.248 1.00 40.54 H new ATOM 0 HB2 HIS A 94 -1.471 8.571 3.226 1.00 73.31 H new ATOM 0 HB3 HIS A 94 0.167 9.178 3.365 1.00 73.31 H new ATOM 0 HD2 HIS A 94 -0.700 5.582 1.965 1.00 4.02 H new ATOM 0 HE1 HIS A 94 1.125 7.869 -1.106 1.00 52.51 H new ATOM 0 HE2 HIS A 94 0.229 5.573 -0.471 1.00 23.24 H new ATOM 1421 N SER A 95 1.177 8.422 6.103 1.00 71.23 N ATOM 1422 CA SER A 95 1.426 9.181 7.323 1.00 61.44 C ATOM 1423 C SER A 95 2.339 10.371 7.046 1.00 52.01 C ATOM 1424 O SER A 95 3.287 10.271 6.266 1.00 21.21 O ATOM 1425 CB SER A 95 2.050 8.281 8.391 1.00 0.45 C ATOM 1426 OG SER A 95 1.775 6.916 8.132 1.00 64.24 O ATOM 0 H SER A 95 2.020 8.139 5.603 1.00 71.23 H new ATOM 0 HA SER A 95 0.470 9.557 7.689 1.00 61.44 H new ATOM 0 HB2 SER A 95 3.128 8.439 8.419 1.00 0.45 H new ATOM 0 HB3 SER A 95 1.662 8.553 9.373 1.00 0.45 H new ATOM 0 HG SER A 95 2.342 6.602 7.397 1.00 64.24 H new ATOM 1431 N ASP A 96 2.047 11.495 7.689 1.00 74.02 N ATOM 1432 CA ASP A 96 2.842 12.706 7.513 1.00 23.11 C ATOM 1433 C ASP A 96 3.834 12.875 8.659 1.00 21.44 C ATOM 1434 O ASP A 96 4.979 13.278 8.448 1.00 51.02 O ATOM 1435 CB ASP A 96 1.932 13.932 7.426 1.00 41.13 C ATOM 1436 CG ASP A 96 2.702 15.206 7.145 1.00 12.13 C ATOM 1437 OD1 ASP A 96 3.821 15.116 6.598 1.00 44.21 O ATOM 1438 OD2 ASP A 96 2.187 16.296 7.472 1.00 45.35 O ATOM 0 H ASP A 96 1.266 11.594 8.337 1.00 74.02 H new ATOM 0 HA ASP A 96 3.401 12.612 6.582 1.00 23.11 H new ATOM 0 HB2 ASP A 96 1.193 13.777 6.640 1.00 41.13 H new ATOM 0 HB3 ASP A 96 1.384 14.041 8.362 1.00 41.13 H new ATOM 1442 N ASP A 97 3.388 12.565 9.872 1.00 55.03 N ATOM 1443 CA ASP A 97 4.237 12.684 11.052 1.00 44.44 C ATOM 1444 C ASP A 97 4.890 11.347 11.387 1.00 62.32 C ATOM 1445 O ASP A 97 5.873 11.292 12.124 1.00 1.41 O ATOM 1446 CB ASP A 97 3.421 13.181 12.246 1.00 45.02 C ATOM 1447 CG ASP A 97 3.159 14.672 12.187 1.00 74.24 C ATOM 1448 OD1 ASP A 97 2.193 15.079 11.508 1.00 73.32 O ATOM 1449 OD2 ASP A 97 3.920 15.434 12.821 1.00 51.31 O ATOM 0 H ASP A 97 2.444 12.230 10.064 1.00 55.03 H new ATOM 0 HA ASP A 97 5.022 13.407 10.833 1.00 44.44 H new ATOM 0 HB2 ASP A 97 2.470 12.649 12.279 1.00 45.02 H new ATOM 0 HB3 ASP A 97 3.951 12.944 13.169 1.00 45.02 H new ATOM 1453 N GLY A 98 4.335 10.269 10.842 1.00 43.54 N ATOM 1454 CA GLY A 98 4.874 8.946 11.096 1.00 3.35 C ATOM 1455 C GLY A 98 3.988 8.122 12.007 1.00 41.14 C ATOM 1456 O GLY A 98 3.941 6.897 11.899 1.00 5.23 O ATOM 0 H GLY A 98 3.521 10.289 10.228 1.00 43.54 H new ATOM 0 HA2 GLY A 98 5.003 8.422 10.149 1.00 3.35 H new ATOM 0 HA3 GLY A 98 5.863 9.040 11.545 1.00 3.35 H new ATOM 1460 N VAL A 99 3.281 8.796 12.909 1.00 61.23 N ATOM 1461 CA VAL A 99 2.390 8.118 13.844 1.00 63.50 C ATOM 1462 C VAL A 99 0.939 8.206 13.383 1.00 2.22 C ATOM 1463 O VAL A 99 0.112 7.368 13.743 1.00 13.41 O ATOM 1464 CB VAL A 99 2.505 8.713 15.259 1.00 35.40 C ATOM 1465 CG1 VAL A 99 3.943 8.650 15.751 1.00 10.43 C ATOM 1466 CG2 VAL A 99 1.988 10.143 15.279 1.00 51.02 C ATOM 0 H VAL A 99 3.308 9.810 13.012 1.00 61.23 H new ATOM 0 HA VAL A 99 2.696 7.072 13.872 1.00 63.50 H new ATOM 0 HB VAL A 99 1.890 8.119 15.935 1.00 35.40 H new ATOM 0 HG11 VAL A 99 4.004 9.075 16.753 1.00 10.43 H new ATOM 0 HG12 VAL A 99 4.274 7.612 15.777 1.00 10.43 H new ATOM 0 HG13 VAL A 99 4.584 9.218 15.076 1.00 10.43 H new ATOM 0 HG21 VAL A 99 2.077 10.548 16.287 1.00 51.02 H new ATOM 0 HG22 VAL A 99 2.574 10.752 14.591 1.00 51.02 H new ATOM 0 HG23 VAL A 99 0.942 10.156 14.974 1.00 51.02 H new ATOM 1476 N GLN A 100 0.639 9.226 12.585 1.00 25.11 N ATOM 1477 CA GLN A 100 -0.713 9.423 12.075 1.00 21.24 C ATOM 1478 C GLN A 100 -0.912 8.681 10.757 1.00 14.42 C ATOM 1479 O GLN A 100 -0.535 9.175 9.694 1.00 10.14 O ATOM 1480 CB GLN A 100 -0.995 10.914 11.883 1.00 72.45 C ATOM 1481 CG GLN A 100 -0.781 11.741 13.140 1.00 22.30 C ATOM 1482 CD GLN A 100 -1.382 13.129 13.036 1.00 61.25 C ATOM 1483 OE1 GLN A 100 -2.551 13.337 13.359 1.00 74.04 O ATOM 1484 NE2 GLN A 100 -0.583 14.087 12.582 1.00 1.41 N ATOM 0 H GLN A 100 1.313 9.928 12.278 1.00 25.11 H new ATOM 0 HA GLN A 100 -1.413 9.019 12.806 1.00 21.24 H new ATOM 0 HB2 GLN A 100 -0.351 11.298 11.092 1.00 72.45 H new ATOM 0 HB3 GLN A 100 -2.024 11.040 11.546 1.00 72.45 H new ATOM 0 HG2 GLN A 100 -1.221 11.222 13.991 1.00 22.30 H new ATOM 0 HG3 GLN A 100 0.288 11.826 13.337 1.00 22.30 H new ATOM 0 HE21 GLN A 100 0.380 13.869 12.326 1.00 1.41 H new ATOM 0 HE22 GLN A 100 -0.932 15.041 12.489 1.00 1.41 H new ATOM 1491 N TRP A 101 -1.505 7.496 10.835 1.00 14.24 N ATOM 1492 CA TRP A 101 -1.752 6.686 9.647 1.00 62.21 C ATOM 1493 C TRP A 101 -3.123 6.995 9.054 1.00 14.23 C ATOM 1494 O TRP A 101 -4.153 6.704 9.662 1.00 44.43 O ATOM 1495 CB TRP A 101 -1.654 5.199 9.990 1.00 43.32 C ATOM 1496 CG TRP A 101 -0.495 4.869 10.880 1.00 53.23 C ATOM 1497 CD1 TRP A 101 0.735 5.463 10.878 1.00 20.21 C ATOM 1498 CD2 TRP A 101 -0.458 3.867 11.902 1.00 13.32 C ATOM 1499 NE1 TRP A 101 1.535 4.890 11.837 1.00 42.13 N ATOM 1500 CE2 TRP A 101 0.827 3.909 12.479 1.00 31.11 C ATOM 1501 CE3 TRP A 101 -1.383 2.940 12.387 1.00 75.42 C ATOM 1502 CZ2 TRP A 101 1.206 3.059 13.515 1.00 64.10 C ATOM 1503 CZ3 TRP A 101 -1.007 2.097 13.415 1.00 4.24 C ATOM 1504 CH2 TRP A 101 0.279 2.160 13.970 1.00 55.32 C ATOM 0 H TRP A 101 -1.824 7.074 11.707 1.00 14.24 H new ATOM 0 HA TRP A 101 -0.992 6.931 8.905 1.00 62.21 H new ATOM 0 HB2 TRP A 101 -2.577 4.884 10.476 1.00 43.32 H new ATOM 0 HB3 TRP A 101 -1.569 4.626 9.067 1.00 43.32 H new ATOM 0 HD1 TRP A 101 1.035 6.265 10.220 1.00 20.21 H new ATOM 0 HE1 TRP A 101 2.500 5.153 12.038 1.00 42.13 H new ATOM 0 HE3 TRP A 101 -2.376 2.883 11.966 1.00 75.42 H new ATOM 0 HZ2 TRP A 101 2.196 3.107 13.944 1.00 64.10 H new ATOM 0 HZ3 TRP A 101 -1.716 1.377 13.798 1.00 4.24 H new ATOM 0 HH2 TRP A 101 0.543 1.486 14.772 1.00 55.32 H new ATOM 1514 N THR A 102 -3.128 7.587 7.864 1.00 10.20 N ATOM 1515 CA THR A 102 -4.372 7.936 7.189 1.00 24.51 C ATOM 1516 C THR A 102 -4.710 6.923 6.101 1.00 71.42 C ATOM 1517 O THR A 102 -3.869 6.590 5.267 1.00 23.34 O ATOM 1518 CB THR A 102 -4.296 9.340 6.562 1.00 51.22 C ATOM 1519 OG1 THR A 102 -4.201 10.332 7.591 1.00 23.41 O ATOM 1520 CG2 THR A 102 -5.518 9.615 5.699 1.00 31.23 C ATOM 0 H THR A 102 -2.284 7.835 7.347 1.00 10.20 H new ATOM 0 HA THR A 102 -5.156 7.927 7.946 1.00 24.51 H new ATOM 0 HB THR A 102 -3.408 9.384 5.932 1.00 51.22 H new ATOM 0 HG1 THR A 102 -4.151 11.222 7.184 1.00 23.41 H new ATOM 0 HG21 THR A 102 -5.441 10.613 5.267 1.00 31.23 H new ATOM 0 HG22 THR A 102 -5.572 8.876 4.899 1.00 31.23 H new ATOM 0 HG23 THR A 102 -6.417 9.553 6.312 1.00 31.23 H new ATOM 1528 N VAL A 103 -5.948 6.438 6.114 1.00 21.02 N ATOM 1529 CA VAL A 103 -6.398 5.465 5.127 1.00 21.31 C ATOM 1530 C VAL A 103 -7.216 6.135 4.028 1.00 23.25 C ATOM 1531 O VAL A 103 -8.131 6.909 4.306 1.00 44.13 O ATOM 1532 CB VAL A 103 -7.245 4.355 5.778 1.00 3.33 C ATOM 1533 CG1 VAL A 103 -6.370 3.444 6.626 1.00 2.01 C ATOM 1534 CG2 VAL A 103 -8.364 4.960 6.612 1.00 0.33 C ATOM 0 H VAL A 103 -6.657 6.704 6.798 1.00 21.02 H new ATOM 0 HA VAL A 103 -5.504 5.020 4.691 1.00 21.31 H new ATOM 0 HB VAL A 103 -7.695 3.754 4.988 1.00 3.33 H new ATOM 0 HG11 VAL A 103 -6.985 2.666 7.078 1.00 2.01 H new ATOM 0 HG12 VAL A 103 -5.607 2.984 5.998 1.00 2.01 H new ATOM 0 HG13 VAL A 103 -5.890 4.028 7.411 1.00 2.01 H new ATOM 0 HG21 VAL A 103 -8.953 4.162 7.065 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -7.936 5.585 7.396 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -9.006 5.567 5.974 1.00 0.33 H new ATOM 1544 N TYR A 104 -6.879 5.830 2.779 1.00 71.11 N ATOM 1545 CA TYR A 104 -7.581 6.405 1.638 1.00 63.31 C ATOM 1546 C TYR A 104 -8.919 5.705 1.413 1.00 54.20 C ATOM 1547 O TYR A 104 -9.061 4.893 0.500 1.00 41.42 O ATOM 1548 CB TYR A 104 -6.720 6.298 0.378 1.00 54.13 C ATOM 1549 CG TYR A 104 -5.484 7.168 0.415 1.00 4.53 C ATOM 1550 CD1 TYR A 104 -5.554 8.493 0.826 1.00 43.13 C ATOM 1551 CD2 TYR A 104 -4.244 6.664 0.038 1.00 71.32 C ATOM 1552 CE1 TYR A 104 -4.427 9.292 0.860 1.00 63.13 C ATOM 1553 CE2 TYR A 104 -3.112 7.454 0.071 1.00 12.15 C ATOM 1554 CZ TYR A 104 -3.208 8.768 0.483 1.00 20.40 C ATOM 1555 OH TYR A 104 -2.083 9.559 0.516 1.00 1.15 O ATOM 0 H TYR A 104 -6.125 5.189 2.532 1.00 71.11 H new ATOM 0 HA TYR A 104 -7.772 7.456 1.853 1.00 63.31 H new ATOM 0 HB2 TYR A 104 -6.419 5.259 0.240 1.00 54.13 H new ATOM 0 HB3 TYR A 104 -7.322 6.573 -0.488 1.00 54.13 H new ATOM 0 HD1 TYR A 104 -6.506 8.906 1.124 1.00 43.13 H new ATOM 0 HD2 TYR A 104 -4.165 5.637 -0.286 1.00 71.32 H new ATOM 0 HE1 TYR A 104 -4.500 10.321 1.180 1.00 63.13 H new ATOM 0 HE2 TYR A 104 -2.157 7.046 -0.224 1.00 12.15 H new ATOM 0 HH TYR A 104 -1.305 9.033 0.236 1.00 1.15 H new ATOM 1632 N LYS A 111 -11.958 0.790 2.957 1.00 74.34 N ATOM 1633 CA LYS A 111 -11.921 -0.484 2.251 1.00 61.33 C ATOM 1634 C LYS A 111 -10.554 -0.717 1.618 1.00 53.21 C ATOM 1635 O LYS A 111 -10.035 0.141 0.903 1.00 72.30 O ATOM 1636 CB LYS A 111 -13.008 -0.526 1.174 1.00 54.31 C ATOM 1637 CG LYS A 111 -13.195 -1.897 0.550 1.00 4.11 C ATOM 1638 CD LYS A 111 -13.914 -2.845 1.495 1.00 25.31 C ATOM 1639 CE LYS A 111 -15.403 -2.543 1.563 1.00 44.30 C ATOM 1640 NZ LYS A 111 -16.187 -3.406 0.636 1.00 14.24 N ATOM 0 HA LYS A 111 -12.105 -1.277 2.976 1.00 61.33 H new ATOM 0 HB2 LYS A 111 -13.953 -0.203 1.611 1.00 54.31 H new ATOM 0 HB3 LYS A 111 -12.759 0.189 0.390 1.00 54.31 H new ATOM 0 HG2 LYS A 111 -13.764 -1.802 -0.375 1.00 4.11 H new ATOM 0 HG3 LYS A 111 -12.223 -2.313 0.285 1.00 4.11 H new ATOM 0 HD2 LYS A 111 -13.765 -3.873 1.164 1.00 25.31 H new ATOM 0 HD3 LYS A 111 -13.480 -2.765 2.492 1.00 25.31 H new ATOM 0 HE2 LYS A 111 -15.757 -2.690 2.583 1.00 44.30 H new ATOM 0 HE3 LYS A 111 -15.573 -1.495 1.315 1.00 44.30 H new ATOM 0 HZ1 LYS A 111 -17.197 -3.169 0.712 1.00 14.24 H new ATOM 0 HZ2 LYS A 111 -15.867 -3.247 -0.341 1.00 14.24 H new ATOM 0 HZ3 LYS A 111 -16.046 -4.405 0.888 1.00 14.24 H new ATOM 1650 N VAL A 112 -9.974 -1.883 1.884 1.00 71.43 N ATOM 1651 CA VAL A 112 -8.668 -2.230 1.338 1.00 13.52 C ATOM 1652 C VAL A 112 -8.718 -2.339 -0.182 1.00 14.43 C ATOM 1653 O VAL A 112 -9.726 -2.757 -0.752 1.00 21.34 O ATOM 1654 CB VAL A 112 -8.150 -3.559 1.920 1.00 30.31 C ATOM 1655 CG1 VAL A 112 -8.158 -3.515 3.440 1.00 24.11 C ATOM 1656 CG2 VAL A 112 -8.983 -4.724 1.407 1.00 74.21 C ATOM 0 H VAL A 112 -10.389 -2.604 2.475 1.00 71.43 H new ATOM 0 HA VAL A 112 -7.985 -1.428 1.620 1.00 13.52 H new ATOM 0 HB VAL A 112 -7.121 -3.705 1.591 1.00 30.31 H new ATOM 0 HG11 VAL A 112 -7.789 -4.462 3.833 1.00 24.11 H new ATOM 0 HG12 VAL A 112 -7.516 -2.704 3.784 1.00 24.11 H new ATOM 0 HG13 VAL A 112 -9.175 -3.347 3.794 1.00 24.11 H new ATOM 0 HG21 VAL A 112 -8.604 -5.655 1.828 1.00 74.21 H new ATOM 0 HG22 VAL A 112 -10.022 -4.587 1.706 1.00 74.21 H new ATOM 0 HG23 VAL A 112 -8.920 -4.765 0.320 1.00 74.21 H new ATOM 1666 N PHE A 113 -7.624 -1.958 -0.833 1.00 21.03 N ATOM 1667 CA PHE A 113 -7.543 -2.013 -2.289 1.00 35.41 C ATOM 1668 C PHE A 113 -7.494 -3.457 -2.777 1.00 22.11 C ATOM 1669 O PHE A 113 -7.107 -4.360 -2.037 1.00 33.41 O ATOM 1670 CB PHE A 113 -6.309 -1.254 -2.781 1.00 32.53 C ATOM 1671 CG PHE A 113 -6.549 0.214 -2.985 1.00 41.44 C ATOM 1672 CD1 PHE A 113 -7.192 0.966 -2.016 1.00 35.32 C ATOM 1673 CD2 PHE A 113 -6.133 0.843 -4.148 1.00 2.02 C ATOM 1674 CE1 PHE A 113 -7.416 2.318 -2.202 1.00 22.12 C ATOM 1675 CE2 PHE A 113 -6.353 2.194 -4.340 1.00 23.24 C ATOM 1676 CZ PHE A 113 -6.995 2.932 -3.365 1.00 4.35 C ATOM 0 H PHE A 113 -6.782 -1.608 -0.376 1.00 21.03 H new ATOM 0 HA PHE A 113 -8.437 -1.541 -2.696 1.00 35.41 H new ATOM 0 HB2 PHE A 113 -5.501 -1.385 -2.061 1.00 32.53 H new ATOM 0 HB3 PHE A 113 -5.973 -1.693 -3.721 1.00 32.53 H new ATOM 0 HD1 PHE A 113 -7.522 0.491 -1.104 1.00 35.32 H new ATOM 0 HD2 PHE A 113 -5.631 0.270 -4.914 1.00 2.02 H new ATOM 0 HE1 PHE A 113 -7.919 2.893 -1.439 1.00 22.12 H new ATOM 0 HE2 PHE A 113 -6.023 2.672 -5.251 1.00 23.24 H new ATOM 0 HZ PHE A 113 -7.168 3.988 -3.512 1.00 4.35 H new ATOM 1685 N GLN A 114 -7.891 -3.666 -4.028 1.00 40.31 N ATOM 1686 CA GLN A 114 -7.894 -5.000 -4.616 1.00 31.23 C ATOM 1687 C GLN A 114 -6.829 -5.120 -5.702 1.00 71.11 C ATOM 1688 O GLN A 114 -6.510 -4.146 -6.382 1.00 53.31 O ATOM 1689 CB GLN A 114 -9.271 -5.322 -5.198 1.00 52.24 C ATOM 1690 CG GLN A 114 -10.353 -5.491 -4.143 1.00 10.15 C ATOM 1691 CD GLN A 114 -9.924 -6.400 -3.009 1.00 30.03 C ATOM 1692 OE1 GLN A 114 -9.449 -5.806 -1.920 1.00 73.51 O flip ATOM 1693 NE2 GLN A 114 -10.017 -7.624 -3.110 1.00 52.13 N flip ATOM 0 H GLN A 114 -8.215 -2.928 -4.654 1.00 40.31 H new ATOM 0 HA GLN A 114 -7.665 -5.716 -3.827 1.00 31.23 H new ATOM 0 HB2 GLN A 114 -9.563 -4.525 -5.881 1.00 52.24 H new ATOM 0 HB3 GLN A 114 -9.203 -6.237 -5.786 1.00 52.24 H new ATOM 0 HG2 GLN A 114 -10.618 -4.514 -3.740 1.00 10.15 H new ATOM 0 HG3 GLN A 114 -11.250 -5.897 -4.610 1.00 10.15 H new ATOM 0 HE21 GLN A 114 -10.388 -8.038 -3.965 1.00 52.13 H new ATOM 0 HE22 GLN A 114 -9.723 -8.223 -2.339 1.00 52.13 H new ATOM 1700 N GLY A 115 -6.282 -6.322 -5.858 1.00 51.34 N ATOM 1701 CA GLY A 115 -5.260 -6.546 -6.862 1.00 0.51 C ATOM 1702 C GLY A 115 -5.693 -7.542 -7.920 1.00 71.11 C ATOM 1703 O GLY A 115 -6.306 -7.168 -8.919 1.00 24.24 O ATOM 0 H GLY A 115 -6.529 -7.144 -5.307 1.00 51.34 H new ATOM 0 HA2 GLY A 115 -5.011 -5.599 -7.340 1.00 0.51 H new ATOM 0 HA3 GLY A 115 -4.353 -6.907 -6.378 1.00 0.51 H new ATOM 1707 N ASN A 116 -5.373 -8.813 -7.700 1.00 11.00 N ATOM 1708 CA ASN A 116 -5.732 -9.866 -8.643 1.00 15.24 C ATOM 1709 C ASN A 116 -5.029 -9.660 -9.981 1.00 0.11 C ATOM 1710 O ASN A 116 -4.001 -8.985 -10.058 1.00 40.34 O ATOM 1711 CB ASN A 116 -7.247 -9.899 -8.850 1.00 52.22 C ATOM 1712 CG ASN A 116 -8.012 -9.763 -7.548 1.00 61.42 C ATOM 1713 OD1 ASN A 116 -8.051 -10.690 -6.738 1.00 64.04 O ATOM 1714 ND2 ASN A 116 -8.625 -8.604 -7.339 1.00 1.12 N ATOM 0 H ASN A 116 -4.866 -9.139 -6.877 1.00 11.00 H new ATOM 0 HA ASN A 116 -5.408 -10.819 -8.225 1.00 15.24 H new ATOM 0 HB2 ASN A 116 -7.536 -9.093 -9.524 1.00 52.22 H new ATOM 0 HB3 ASN A 116 -7.524 -10.835 -9.335 1.00 52.22 H new ATOM 0 HD21 ASN A 116 -9.155 -8.455 -6.480 1.00 1.12 H new ATOM 0 HD22 ASN A 116 -8.566 -7.863 -8.037 1.00 1.12 H new ATOM 1720 N LEU A 117 -5.589 -10.245 -11.034 1.00 42.10 N ATOM 1721 CA LEU A 117 -5.017 -10.126 -12.371 1.00 31.31 C ATOM 1722 C LEU A 117 -3.695 -10.880 -12.466 1.00 70.02 C ATOM 1723 O LEU A 117 -2.952 -10.731 -13.436 1.00 41.43 O ATOM 1724 CB LEU A 117 -4.805 -8.654 -12.727 1.00 73.11 C ATOM 1725 CG LEU A 117 -5.881 -7.683 -12.238 1.00 35.20 C ATOM 1726 CD1 LEU A 117 -5.387 -6.247 -12.334 1.00 63.33 C ATOM 1727 CD2 LEU A 117 -7.163 -7.863 -13.035 1.00 42.24 C ATOM 0 H LEU A 117 -6.439 -10.807 -10.988 1.00 42.10 H new ATOM 0 HA LEU A 117 -5.717 -10.567 -13.080 1.00 31.31 H new ATOM 0 HB2 LEU A 117 -3.845 -8.337 -12.319 1.00 73.11 H new ATOM 0 HB3 LEU A 117 -4.734 -8.570 -13.811 1.00 73.11 H new ATOM 0 HG LEU A 117 -6.094 -7.903 -11.192 1.00 35.20 H new ATOM 0 HD11 LEU A 117 -6.165 -5.570 -11.982 1.00 63.33 H new ATOM 0 HD12 LEU A 117 -4.496 -6.127 -11.718 1.00 63.33 H new ATOM 0 HD13 LEU A 117 -5.145 -6.014 -13.371 1.00 63.33 H new ATOM 0 HD21 LEU A 117 -7.917 -7.164 -12.673 1.00 42.24 H new ATOM 0 HD22 LEU A 117 -6.966 -7.671 -14.090 1.00 42.24 H new ATOM 0 HD23 LEU A 117 -7.526 -8.884 -12.914 1.00 42.24 H new ATOM 1738 N ASP A 118 -3.408 -11.692 -11.454 1.00 53.11 N ATOM 1739 CA ASP A 118 -2.176 -12.472 -11.425 1.00 61.04 C ATOM 1740 C ASP A 118 -0.962 -11.579 -11.657 1.00 51.51 C ATOM 1741 O ASP A 118 -1.076 -10.355 -11.685 1.00 35.11 O ATOM 1742 CB ASP A 118 -2.223 -13.576 -12.483 1.00 24.23 C ATOM 1743 CG ASP A 118 -3.531 -14.342 -12.464 1.00 74.40 C ATOM 1744 OD1 ASP A 118 -3.616 -15.352 -11.733 1.00 12.22 O ATOM 1745 OD2 ASP A 118 -4.469 -13.933 -13.178 1.00 43.43 O ATOM 0 H ASP A 118 -4.012 -11.827 -10.643 1.00 53.11 H new ATOM 0 HA ASP A 118 -2.085 -12.927 -10.439 1.00 61.04 H new ATOM 0 HB2 ASP A 118 -2.078 -13.136 -13.470 1.00 24.23 H new ATOM 0 HB3 ASP A 118 -1.398 -14.268 -12.318 1.00 24.23 H new ATOM 1749 N ASN A 119 0.201 -12.201 -11.823 1.00 24.10 N ATOM 1750 CA ASN A 119 1.438 -11.463 -12.051 1.00 40.13 C ATOM 1751 C ASN A 119 1.477 -10.892 -13.466 1.00 13.15 C ATOM 1752 O ASN A 119 2.043 -9.825 -13.699 1.00 53.03 O ATOM 1753 CB ASN A 119 2.648 -12.371 -11.822 1.00 54.32 C ATOM 1754 CG ASN A 119 3.879 -11.891 -12.567 1.00 31.42 C ATOM 1755 OD1 ASN A 119 4.198 -10.702 -12.561 1.00 61.10 O ATOM 1756 ND2 ASN A 119 4.579 -12.818 -13.211 1.00 65.45 N ATOM 0 H ASN A 119 0.312 -13.215 -11.804 1.00 24.10 H new ATOM 0 HA ASN A 119 1.474 -10.635 -11.343 1.00 40.13 H new ATOM 0 HB2 ASN A 119 2.867 -12.418 -10.755 1.00 54.32 H new ATOM 0 HB3 ASN A 119 2.405 -13.384 -12.142 1.00 54.32 H new ATOM 0 HD21 ASN A 119 5.418 -12.556 -13.728 1.00 65.45 H new ATOM 0 HD22 ASN A 119 4.277 -13.792 -13.189 1.00 65.45 H new ATOM 1762 N ASN A 120 0.871 -11.610 -14.405 1.00 1.24 N ATOM 1763 CA ASN A 120 0.837 -11.175 -15.797 1.00 33.02 C ATOM 1764 C ASN A 120 0.276 -9.762 -15.911 1.00 54.15 C ATOM 1765 O ASN A 120 0.903 -8.878 -16.495 1.00 12.33 O ATOM 1766 CB ASN A 120 -0.005 -12.140 -16.634 1.00 51.04 C ATOM 1767 CG ASN A 120 0.629 -13.513 -16.746 1.00 64.12 C ATOM 1768 OD1 ASN A 120 1.849 -13.639 -16.850 1.00 14.01 O ATOM 1769 ND2 ASN A 120 -0.200 -14.551 -16.727 1.00 11.31 N ATOM 0 H ASN A 120 0.397 -12.496 -14.228 1.00 1.24 H new ATOM 0 HA ASN A 120 1.859 -11.173 -16.176 1.00 33.02 H new ATOM 0 HB2 ASN A 120 -0.995 -12.235 -16.188 1.00 51.04 H new ATOM 0 HB3 ASN A 120 -0.144 -11.725 -17.632 1.00 51.04 H new ATOM 0 HD21 ASN A 120 0.168 -15.499 -16.800 1.00 11.31 H new ATOM 0 HD22 ASN A 120 -1.205 -14.400 -16.639 1.00 11.31 H new ATOM 1775 N SER A 121 -0.911 -9.556 -15.349 1.00 53.55 N ATOM 1776 CA SER A 121 -1.560 -8.250 -15.391 1.00 12.13 C ATOM 1777 C SER A 121 -1.416 -7.529 -14.053 1.00 64.44 C ATOM 1778 O SER A 121 -1.567 -8.133 -12.991 1.00 13.13 O ATOM 1779 CB SER A 121 -3.040 -8.404 -15.744 1.00 54.23 C ATOM 1780 OG SER A 121 -3.211 -8.663 -17.126 1.00 12.43 O ATOM 0 H SER A 121 -1.443 -10.276 -14.860 1.00 53.55 H new ATOM 0 HA SER A 121 -1.071 -7.653 -16.160 1.00 12.13 H new ATOM 0 HB2 SER A 121 -3.473 -9.218 -15.162 1.00 54.23 H new ATOM 0 HB3 SER A 121 -3.578 -7.496 -15.472 1.00 54.23 H new ATOM 0 HG SER A 121 -4.166 -8.759 -17.325 1.00 12.43 H new ATOM 1785 N HIS A 122 -1.125 -6.233 -14.114 1.00 4.23 N ATOM 1786 CA HIS A 122 -0.962 -5.429 -12.908 1.00 11.44 C ATOM 1787 C HIS A 122 -2.183 -4.544 -12.677 1.00 31.13 C ATOM 1788 O HIS A 122 -3.186 -4.655 -13.381 1.00 53.35 O ATOM 1789 CB HIS A 122 0.296 -4.566 -13.013 1.00 73.11 C ATOM 1790 CG HIS A 122 0.171 -3.441 -13.994 1.00 11.14 C ATOM 1791 ND1 HIS A 122 -0.487 -2.264 -13.708 1.00 3.40 N ATOM 1792 CD2 HIS A 122 0.627 -3.319 -15.262 1.00 15.51 C ATOM 1793 CE1 HIS A 122 -0.433 -1.466 -14.760 1.00 1.41 C ATOM 1794 NE2 HIS A 122 0.239 -2.082 -15.717 1.00 24.32 N ATOM 0 H HIS A 122 -0.997 -5.718 -14.985 1.00 4.23 H new ATOM 0 HA HIS A 122 -0.860 -6.106 -12.059 1.00 11.44 H new ATOM 0 HB2 HIS A 122 0.528 -4.156 -12.030 1.00 73.11 H new ATOM 0 HB3 HIS A 122 1.136 -5.197 -13.302 1.00 73.11 H new ATOM 0 HD2 HIS A 122 1.191 -4.057 -15.814 1.00 15.51 H new ATOM 0 HE1 HIS A 122 -0.865 -0.478 -14.826 1.00 1.41 H new ATOM 0 HE2 HIS A 122 0.437 -1.701 -16.642 1.00 24.32 H new ATOM 1801 N LYS A 123 -2.091 -3.666 -11.684 1.00 33.43 N ATOM 1802 CA LYS A 123 -3.186 -2.761 -11.357 1.00 24.32 C ATOM 1803 C LYS A 123 -2.659 -1.377 -10.996 1.00 73.21 C ATOM 1804 O LYS A 123 -2.122 -1.170 -9.908 1.00 34.34 O ATOM 1805 CB LYS A 123 -4.011 -3.324 -10.197 1.00 41.14 C ATOM 1806 CG LYS A 123 -5.233 -2.487 -9.858 1.00 13.43 C ATOM 1807 CD LYS A 123 -6.239 -2.483 -10.997 1.00 74.41 C ATOM 1808 CE LYS A 123 -7.666 -2.376 -10.479 1.00 32.14 C ATOM 1809 NZ LYS A 123 -8.180 -0.980 -10.554 1.00 34.52 N ATOM 0 H LYS A 123 -1.268 -3.562 -11.091 1.00 33.43 H new ATOM 0 HA LYS A 123 -3.823 -2.669 -12.237 1.00 24.32 H new ATOM 0 HB2 LYS A 123 -4.332 -4.335 -10.447 1.00 41.14 H new ATOM 0 HB3 LYS A 123 -3.376 -3.400 -9.314 1.00 41.14 H new ATOM 0 HG2 LYS A 123 -5.704 -2.878 -8.956 1.00 13.43 H new ATOM 0 HG3 LYS A 123 -4.926 -1.464 -9.639 1.00 13.43 H new ATOM 0 HD2 LYS A 123 -6.030 -1.648 -11.666 1.00 74.41 H new ATOM 0 HD3 LYS A 123 -6.131 -3.396 -11.583 1.00 74.41 H new ATOM 0 HE2 LYS A 123 -8.313 -3.033 -11.060 1.00 32.14 H new ATOM 0 HE3 LYS A 123 -7.704 -2.722 -9.446 1.00 32.14 H new ATOM 0 HZ1 LYS A 123 -9.155 -0.949 -10.192 1.00 34.52 H new ATOM 0 HZ2 LYS A 123 -7.577 -0.357 -9.979 1.00 34.52 H new ATOM 0 HZ3 LYS A 123 -8.168 -0.658 -11.543 1.00 34.52 H new ATOM 1819 N LYS A 124 -2.818 -0.430 -11.915 1.00 14.22 N ATOM 1820 CA LYS A 124 -2.361 0.937 -11.693 1.00 34.45 C ATOM 1821 C LYS A 124 -3.540 1.870 -11.439 1.00 54.24 C ATOM 1822 O LYS A 124 -4.419 2.020 -12.287 1.00 1.42 O ATOM 1823 CB LYS A 124 -1.555 1.429 -12.897 1.00 73.32 C ATOM 1824 CG LYS A 124 -0.778 2.706 -12.628 1.00 5.23 C ATOM 1825 CD LYS A 124 -1.050 3.759 -13.689 1.00 14.31 C ATOM 1826 CE LYS A 124 -2.017 4.819 -13.186 1.00 0.12 C ATOM 1827 NZ LYS A 124 -1.879 6.098 -13.938 1.00 64.54 N ATOM 0 H LYS A 124 -3.260 -0.584 -12.821 1.00 14.22 H new ATOM 0 HA LYS A 124 -1.721 0.941 -10.810 1.00 34.45 H new ATOM 0 HB2 LYS A 124 -0.859 0.647 -13.201 1.00 73.32 H new ATOM 0 HB3 LYS A 124 -2.233 1.596 -13.734 1.00 73.32 H new ATOM 0 HG2 LYS A 124 -1.049 3.098 -11.648 1.00 5.23 H new ATOM 0 HG3 LYS A 124 0.289 2.484 -12.599 1.00 5.23 H new ATOM 0 HD2 LYS A 124 -0.113 4.231 -13.984 1.00 14.31 H new ATOM 0 HD3 LYS A 124 -1.461 3.283 -14.579 1.00 14.31 H new ATOM 0 HE2 LYS A 124 -3.039 4.452 -13.279 1.00 0.12 H new ATOM 0 HE3 LYS A 124 -1.838 5.000 -12.126 1.00 0.12 H new ATOM 0 HZ1 LYS A 124 -2.555 6.795 -13.565 1.00 64.54 H new ATOM 0 HZ2 LYS A 124 -0.911 6.462 -13.829 1.00 64.54 H new ATOM 0 HZ3 LYS A 124 -2.074 5.931 -14.946 1.00 64.54 H new ATOM 1837 N ASN A 125 -3.551 2.498 -10.267 1.00 3.11 N ATOM 1838 CA ASN A 125 -4.623 3.418 -9.903 1.00 3.14 C ATOM 1839 C ASN A 125 -4.199 4.864 -10.136 1.00 54.35 C ATOM 1840 O ASN A 125 -3.017 5.200 -10.039 1.00 74.34 O ATOM 1841 CB ASN A 125 -5.017 3.220 -8.439 1.00 33.53 C ATOM 1842 CG ASN A 125 -6.391 2.596 -8.289 1.00 45.52 C ATOM 1843 OD1 ASN A 125 -7.409 3.238 -8.551 1.00 4.04 O ATOM 1844 ND2 ASN A 125 -6.427 1.338 -7.867 1.00 20.33 N ATOM 0 H ASN A 125 -2.830 2.387 -9.554 1.00 3.11 H new ATOM 0 HA ASN A 125 -5.484 3.203 -10.536 1.00 3.14 H new ATOM 0 HB2 ASN A 125 -4.278 2.586 -7.949 1.00 33.53 H new ATOM 0 HB3 ASN A 125 -5.000 4.183 -7.928 1.00 33.53 H new ATOM 0 HD21 ASN A 125 -7.323 0.865 -7.748 1.00 20.33 H new ATOM 0 HD22 ASN A 125 -5.559 0.844 -7.662 1.00 20.33 H new ATOM 1850 N ILE A 126 -5.170 5.718 -10.444 1.00 32.53 N ATOM 1851 CA ILE A 126 -4.898 7.129 -10.689 1.00 65.52 C ATOM 1852 C ILE A 126 -4.908 7.925 -9.388 1.00 3.31 C ATOM 1853 O ILE A 126 -4.807 7.358 -8.299 1.00 5.22 O ATOM 1854 CB ILE A 126 -5.926 7.740 -11.659 1.00 22.23 C ATOM 1855 CG1 ILE A 126 -6.648 6.636 -12.434 1.00 63.31 C ATOM 1856 CG2 ILE A 126 -5.243 8.706 -12.616 1.00 24.25 C ATOM 1857 CD1 ILE A 126 -7.459 7.149 -13.603 1.00 43.35 C ATOM 0 H ILE A 126 -6.152 5.457 -10.530 1.00 32.53 H new ATOM 0 HA ILE A 126 -3.907 7.186 -11.139 1.00 65.52 H new ATOM 0 HB ILE A 126 -6.665 8.294 -11.080 1.00 22.23 H new ATOM 0 HG12 ILE A 126 -5.913 5.919 -12.799 1.00 63.31 H new ATOM 0 HG13 ILE A 126 -7.307 6.097 -11.753 1.00 63.31 H new ATOM 0 HG21 ILE A 126 -5.983 9.129 -13.295 1.00 24.25 H new ATOM 0 HG22 ILE A 126 -4.771 9.508 -12.048 1.00 24.25 H new ATOM 0 HG23 ILE A 126 -4.485 8.174 -13.191 1.00 24.25 H new ATOM 0 HD11 ILE A 126 -7.943 6.311 -14.106 1.00 43.35 H new ATOM 0 HD12 ILE A 126 -8.218 7.843 -13.242 1.00 43.35 H new ATOM 0 HD13 ILE A 126 -6.802 7.662 -14.305 1.00 43.35 H new ATOM 1868 N PHE A 127 -5.032 9.242 -9.508 1.00 73.00 N ATOM 1869 CA PHE A 127 -5.057 10.117 -8.341 1.00 30.04 C ATOM 1870 C PHE A 127 -6.402 10.034 -7.626 1.00 44.50 C ATOM 1871 O PHE A 127 -7.100 11.037 -7.478 1.00 21.42 O ATOM 1872 CB PHE A 127 -4.774 11.563 -8.755 1.00 24.00 C ATOM 1873 CG PHE A 127 -5.484 11.975 -10.013 1.00 20.34 C ATOM 1874 CD1 PHE A 127 -6.776 12.471 -9.964 1.00 71.34 C ATOM 1875 CD2 PHE A 127 -4.859 11.867 -11.244 1.00 3.24 C ATOM 1876 CE1 PHE A 127 -7.432 12.851 -11.120 1.00 64.22 C ATOM 1877 CE2 PHE A 127 -5.509 12.245 -12.404 1.00 65.14 C ATOM 1878 CZ PHE A 127 -6.798 12.739 -12.341 1.00 12.45 C ATOM 0 H PHE A 127 -5.117 9.727 -10.401 1.00 73.00 H new ATOM 0 HA PHE A 127 -4.280 9.785 -7.653 1.00 30.04 H new ATOM 0 HB2 PHE A 127 -5.070 12.229 -7.945 1.00 24.00 H new ATOM 0 HB3 PHE A 127 -3.700 11.689 -8.895 1.00 24.00 H new ATOM 0 HD1 PHE A 127 -7.277 12.562 -9.012 1.00 71.34 H new ATOM 0 HD2 PHE A 127 -3.851 11.483 -11.298 1.00 3.24 H new ATOM 0 HE1 PHE A 127 -8.440 13.235 -11.068 1.00 64.22 H new ATOM 0 HE2 PHE A 127 -5.010 12.154 -13.358 1.00 65.14 H new ATOM 0 HZ PHE A 127 -7.308 13.037 -13.245 1.00 12.45 H new ATOM 1887 N GLU A 128 -6.759 8.830 -7.188 1.00 71.15 N ATOM 1888 CA GLU A 128 -8.022 8.616 -6.491 1.00 10.42 C ATOM 1889 C GLU A 128 -8.068 9.416 -5.192 1.00 63.14 C ATOM 1890 O GLU A 128 -9.144 9.715 -4.672 1.00 32.10 O ATOM 1891 CB GLU A 128 -8.220 7.129 -6.194 1.00 33.35 C ATOM 1892 CG GLU A 128 -9.576 6.805 -5.590 1.00 25.45 C ATOM 1893 CD GLU A 128 -10.167 5.520 -6.139 1.00 35.23 C ATOM 1894 OE1 GLU A 128 -9.580 4.445 -5.897 1.00 25.44 O ATOM 1895 OE2 GLU A 128 -11.217 5.591 -6.811 1.00 71.22 O ATOM 0 H GLU A 128 -6.192 7.990 -7.303 1.00 71.15 H new ATOM 0 HA GLU A 128 -8.828 8.960 -7.139 1.00 10.42 H new ATOM 0 HB2 GLU A 128 -8.098 6.563 -7.118 1.00 33.35 H new ATOM 0 HB3 GLU A 128 -7.438 6.796 -5.511 1.00 33.35 H new ATOM 0 HG2 GLU A 128 -9.477 6.722 -4.508 1.00 25.45 H new ATOM 0 HG3 GLU A 128 -10.263 7.629 -5.785 1.00 25.45 H new ATOM 1900 N LYS A 129 -6.895 9.759 -4.672 1.00 2.51 N ATOM 1901 CA LYS A 129 -6.799 10.525 -3.436 1.00 71.51 C ATOM 1902 C LYS A 129 -5.365 10.978 -3.186 1.00 14.24 C ATOM 1903 O LYS A 129 -4.659 10.446 -2.329 1.00 22.23 O ATOM 1904 CB LYS A 129 -7.293 9.687 -2.254 1.00 21.40 C ATOM 1905 CG LYS A 129 -8.722 9.997 -1.844 1.00 63.52 C ATOM 1906 CD LYS A 129 -8.784 10.595 -0.448 1.00 72.34 C ATOM 1907 CE LYS A 129 -9.983 11.518 -0.290 1.00 71.12 C ATOM 1908 NZ LYS A 129 -10.252 11.839 1.139 1.00 44.20 N ATOM 0 H LYS A 129 -5.996 9.518 -5.089 1.00 2.51 H new ATOM 0 HA LYS A 129 -7.428 11.409 -3.536 1.00 71.51 H new ATOM 0 HB2 LYS A 129 -7.219 8.631 -2.512 1.00 21.40 H new ATOM 0 HB3 LYS A 129 -6.635 9.853 -1.401 1.00 21.40 H new ATOM 0 HG2 LYS A 129 -9.164 10.692 -2.558 1.00 63.52 H new ATOM 0 HG3 LYS A 129 -9.317 9.084 -1.877 1.00 63.52 H new ATOM 0 HD2 LYS A 129 -8.840 9.795 0.290 1.00 72.34 H new ATOM 0 HD3 LYS A 129 -7.867 11.150 -0.248 1.00 72.34 H new ATOM 0 HE2 LYS A 129 -9.806 12.441 -0.842 1.00 71.12 H new ATOM 0 HE3 LYS A 129 -10.863 11.048 -0.728 1.00 71.12 H new ATOM 0 HZ1 LYS A 129 -11.076 12.470 1.204 1.00 44.20 H new ATOM 0 HZ2 LYS A 129 -10.446 10.961 1.661 1.00 44.20 H new ATOM 0 HZ3 LYS A 129 -9.422 12.311 1.551 1.00 44.20 H new ATOM 1918 N PRO A 130 -4.921 11.987 -3.950 1.00 14.42 N ATOM 1919 CA PRO A 130 -3.567 12.536 -3.828 1.00 51.52 C ATOM 1920 C PRO A 130 -3.368 13.305 -2.527 1.00 40.43 C ATOM 1921 O PRO A 130 -4.328 13.794 -1.929 1.00 24.23 O ATOM 1922 CB PRO A 130 -3.458 13.481 -5.029 1.00 22.23 C ATOM 1923 CG PRO A 130 -4.864 13.867 -5.336 1.00 1.12 C ATOM 1924 CD PRO A 130 -5.707 12.671 -4.992 1.00 30.13 C ATOM 0 HA PRO A 130 -2.810 11.752 -3.814 1.00 51.52 H new ATOM 0 HB2 PRO A 130 -2.850 14.354 -4.792 1.00 22.23 H new ATOM 0 HB3 PRO A 130 -2.988 12.987 -5.880 1.00 22.23 H new ATOM 0 HG2 PRO A 130 -5.166 14.737 -4.753 1.00 1.12 H new ATOM 0 HG3 PRO A 130 -4.975 14.133 -6.387 1.00 1.12 H new ATOM 0 HD2 PRO A 130 -6.691 12.965 -4.625 1.00 30.13 H new ATOM 0 HD3 PRO A 130 -5.868 12.030 -5.859 1.00 30.13 H new ATOM 1929 N PHE A 131 -2.117 13.410 -2.093 1.00 13.22 N ATOM 1930 CA PHE A 131 -1.792 14.120 -0.860 1.00 4.53 C ATOM 1931 C PHE A 131 -0.308 13.988 -0.532 1.00 30.01 C ATOM 1932 O PHE A 131 0.378 13.108 -1.052 1.00 31.25 O ATOM 1933 CB PHE A 131 -2.632 13.582 0.299 1.00 72.23 C ATOM 1934 CG PHE A 131 -3.660 14.558 0.798 1.00 3.20 C ATOM 1935 CD1 PHE A 131 -3.296 15.846 1.154 1.00 31.44 C ATOM 1936 CD2 PHE A 131 -4.991 14.186 0.909 1.00 2.42 C ATOM 1937 CE1 PHE A 131 -4.240 16.745 1.614 1.00 41.51 C ATOM 1938 CE2 PHE A 131 -5.939 15.081 1.368 1.00 3.12 C ATOM 1939 CZ PHE A 131 -5.563 16.363 1.719 1.00 23.35 C ATOM 0 H PHE A 131 -1.311 13.013 -2.576 1.00 13.22 H new ATOM 0 HA PHE A 131 -2.021 15.176 -1.006 1.00 4.53 H new ATOM 0 HB2 PHE A 131 -3.134 12.669 -0.020 1.00 72.23 H new ATOM 0 HB3 PHE A 131 -1.970 13.311 1.122 1.00 72.23 H new ATOM 0 HD1 PHE A 131 -2.263 16.151 1.071 1.00 31.44 H new ATOM 0 HD2 PHE A 131 -5.290 13.186 0.634 1.00 2.42 H new ATOM 0 HE1 PHE A 131 -3.943 17.746 1.891 1.00 41.51 H new ATOM 0 HE2 PHE A 131 -6.972 14.778 1.452 1.00 3.12 H new ATOM 0 HZ PHE A 131 -6.302 17.065 2.075 1.00 23.35 H new ATOM 1948 N MET A 132 0.181 14.870 0.334 1.00 1.51 N ATOM 1949 CA MET A 132 1.584 14.852 0.732 1.00 73.55 C ATOM 1950 C MET A 132 1.786 13.986 1.972 1.00 71.24 C ATOM 1951 O MET A 132 1.024 14.076 2.934 1.00 74.41 O ATOM 1952 CB MET A 132 2.077 16.274 1.004 1.00 62.22 C ATOM 1953 CG MET A 132 1.199 17.048 1.975 1.00 24.44 C ATOM 1954 SD MET A 132 0.100 18.209 1.143 1.00 41.42 S ATOM 1955 CE MET A 132 1.286 19.253 0.300 1.00 41.25 C ATOM 0 H MET A 132 -0.373 15.605 0.773 1.00 1.51 H new ATOM 0 HA MET A 132 2.163 14.425 -0.087 1.00 73.55 H new ATOM 0 HB2 MET A 132 3.091 16.228 1.401 1.00 62.22 H new ATOM 0 HB3 MET A 132 2.129 16.818 0.061 1.00 62.22 H new ATOM 0 HG2 MET A 132 0.604 16.346 2.560 1.00 24.44 H new ATOM 0 HG3 MET A 132 1.832 17.592 2.677 1.00 24.44 H new ATOM 0 HE1 MET A 132 0.886 20.264 0.216 1.00 41.25 H new ATOM 0 HE2 MET A 132 2.217 19.277 0.866 1.00 41.25 H new ATOM 0 HE3 MET A 132 1.478 18.855 -0.696 1.00 41.25 H new ATOM 1963 N ALA A 133 2.815 13.147 1.941 1.00 10.44 N ATOM 1964 CA ALA A 133 3.118 12.267 3.063 1.00 62.01 C ATOM 1965 C ALA A 133 4.623 12.085 3.228 1.00 42.10 C ATOM 1966 O ALA A 133 5.387 12.266 2.279 1.00 21.45 O ATOM 1967 CB ALA A 133 2.439 10.919 2.873 1.00 24.12 C ATOM 0 H ALA A 133 3.454 13.058 1.151 1.00 10.44 H new ATOM 0 HA ALA A 133 2.734 12.731 3.971 1.00 62.01 H new ATOM 0 HB1 ALA A 133 2.673 10.271 3.718 1.00 24.12 H new ATOM 0 HB2 ALA A 133 1.360 11.060 2.813 1.00 24.12 H new ATOM 0 HB3 ALA A 133 2.797 10.458 1.952 1.00 24.12 H new ATOM 1973 N ARG A 134 5.042 11.726 4.438 1.00 54.53 N ATOM 1974 CA ARG A 134 6.456 11.522 4.727 1.00 52.31 C ATOM 1975 C ARG A 134 6.764 10.040 4.917 1.00 55.25 C ATOM 1976 O ARG A 134 7.875 9.586 4.642 1.00 61.53 O ATOM 1977 CB ARG A 134 6.860 12.303 5.979 1.00 13.40 C ATOM 1978 CG ARG A 134 8.344 12.218 6.296 1.00 33.35 C ATOM 1979 CD ARG A 134 8.595 12.234 7.796 1.00 20.41 C ATOM 1980 NE ARG A 134 9.229 11.003 8.259 1.00 43.33 N ATOM 1981 CZ ARG A 134 9.566 10.779 9.524 1.00 54.22 C ATOM 1982 NH1 ARG A 134 9.331 11.701 10.448 1.00 33.14 N ATOM 1983 NH2 ARG A 134 10.141 9.634 9.867 1.00 43.23 N ATOM 0 H ARG A 134 4.422 11.571 5.233 1.00 54.53 H new ATOM 0 HA ARG A 134 7.032 11.888 3.877 1.00 52.31 H new ATOM 0 HB2 ARG A 134 6.584 13.349 5.849 1.00 13.40 H new ATOM 0 HB3 ARG A 134 6.293 11.927 6.831 1.00 13.40 H new ATOM 0 HG2 ARG A 134 8.757 11.305 5.867 1.00 33.35 H new ATOM 0 HG3 ARG A 134 8.865 13.054 5.830 1.00 33.35 H new ATOM 0 HD2 ARG A 134 9.228 13.085 8.048 1.00 20.41 H new ATOM 0 HD3 ARG A 134 7.650 12.374 8.320 1.00 20.41 H new ATOM 0 HE ARG A 134 9.424 10.274 7.573 1.00 43.33 H new ATOM 0 HH11 ARG A 134 8.891 12.584 10.187 1.00 33.14 H new ATOM 0 HH12 ARG A 134 9.590 11.528 11.419 1.00 33.14 H new ATOM 0 HH21 ARG A 134 10.325 8.924 9.159 1.00 43.23 H new ATOM 0 HH22 ARG A 134 10.399 9.464 10.839 1.00 43.23 H new ATOM 1994 N TYR A 135 5.774 9.292 5.391 1.00 43.04 N ATOM 1995 CA TYR A 135 5.939 7.862 5.621 1.00 61.21 C ATOM 1996 C TYR A 135 4.614 7.126 5.445 1.00 63.31 C ATOM 1997 O TYR A 135 3.668 7.334 6.206 1.00 20.45 O ATOM 1998 CB TYR A 135 6.492 7.611 7.025 1.00 21.03 C ATOM 1999 CG TYR A 135 6.140 6.249 7.580 1.00 72.43 C ATOM 2000 CD1 TYR A 135 6.901 5.130 7.265 1.00 75.13 C ATOM 2001 CD2 TYR A 135 5.046 6.082 8.420 1.00 51.15 C ATOM 2002 CE1 TYR A 135 6.582 3.885 7.770 1.00 31.33 C ATOM 2003 CE2 TYR A 135 4.720 4.841 8.930 1.00 22.13 C ATOM 2004 CZ TYR A 135 5.491 3.744 8.602 1.00 15.31 C ATOM 2005 OH TYR A 135 5.171 2.506 9.108 1.00 42.40 O ATOM 0 H TYR A 135 4.849 9.652 5.623 1.00 43.04 H new ATOM 0 HA TYR A 135 6.647 7.480 4.885 1.00 61.21 H new ATOM 0 HB2 TYR A 135 7.577 7.716 7.003 1.00 21.03 H new ATOM 0 HB3 TYR A 135 6.111 8.378 7.699 1.00 21.03 H new ATOM 0 HD1 TYR A 135 7.756 5.236 6.614 1.00 75.13 H new ATOM 0 HD2 TYR A 135 4.440 6.938 8.679 1.00 51.15 H new ATOM 0 HE1 TYR A 135 7.184 3.026 7.515 1.00 31.33 H new ATOM 0 HE2 TYR A 135 3.866 4.729 9.582 1.00 22.13 H new ATOM 0 HH TYR A 135 4.376 2.580 9.677 1.00 42.40 H new ATOM 2014 N VAL A 136 4.554 6.262 4.436 1.00 30.23 N ATOM 2015 CA VAL A 136 3.347 5.492 4.161 1.00 61.04 C ATOM 2016 C VAL A 136 3.505 4.043 4.608 1.00 2.20 C ATOM 2017 O VAL A 136 4.583 3.461 4.491 1.00 31.43 O ATOM 2018 CB VAL A 136 2.995 5.519 2.662 1.00 3.22 C ATOM 2019 CG1 VAL A 136 3.101 6.933 2.113 1.00 14.24 C ATOM 2020 CG2 VAL A 136 3.895 4.569 1.886 1.00 63.23 C ATOM 0 H VAL A 136 5.327 6.078 3.796 1.00 30.23 H new ATOM 0 HA VAL A 136 2.539 5.957 4.726 1.00 61.04 H new ATOM 0 HB VAL A 136 1.964 5.185 2.544 1.00 3.22 H new ATOM 0 HG11 VAL A 136 2.849 6.931 1.053 1.00 14.24 H new ATOM 0 HG12 VAL A 136 2.411 7.584 2.649 1.00 14.24 H new ATOM 0 HG13 VAL A 136 4.120 7.298 2.243 1.00 14.24 H new ATOM 0 HG21 VAL A 136 3.632 4.601 0.829 1.00 63.23 H new ATOM 0 HG22 VAL A 136 4.935 4.870 2.011 1.00 63.23 H new ATOM 0 HG23 VAL A 136 3.763 3.554 2.262 1.00 63.23 H new ATOM 2030 N ARG A 137 2.423 3.466 5.120 1.00 54.24 N ATOM 2031 CA ARG A 137 2.441 2.085 5.587 1.00 3.40 C ATOM 2032 C ARG A 137 1.325 1.276 4.933 1.00 73.35 C ATOM 2033 O ARG A 137 0.221 1.780 4.720 1.00 33.12 O ATOM 2034 CB ARG A 137 2.299 2.036 7.109 1.00 64.24 C ATOM 2035 CG ARG A 137 2.624 0.677 7.708 1.00 50.40 C ATOM 2036 CD ARG A 137 1.786 0.399 8.946 1.00 61.22 C ATOM 2037 NE ARG A 137 2.596 0.371 10.160 1.00 15.45 N ATOM 2038 CZ ARG A 137 2.154 -0.078 11.330 1.00 42.35 C ATOM 2039 NH1 ARG A 137 0.914 -0.535 11.441 1.00 73.00 N ATOM 2040 NH2 ARG A 137 2.951 -0.071 12.390 1.00 0.44 N ATOM 0 H ARG A 137 1.522 3.934 5.222 1.00 54.24 H new ATOM 0 HA ARG A 137 3.398 1.645 5.306 1.00 3.40 H new ATOM 0 HB2 ARG A 137 2.956 2.785 7.551 1.00 64.24 H new ATOM 0 HB3 ARG A 137 1.279 2.308 7.379 1.00 64.24 H new ATOM 0 HG2 ARG A 137 2.447 -0.101 6.965 1.00 50.40 H new ATOM 0 HG3 ARG A 137 3.682 0.636 7.967 1.00 50.40 H new ATOM 0 HD2 ARG A 137 1.016 1.164 9.042 1.00 61.22 H new ATOM 0 HD3 ARG A 137 1.274 -0.556 8.830 1.00 61.22 H new ATOM 0 HE ARG A 137 3.555 0.715 10.107 1.00 15.45 H new ATOM 0 HH11 ARG A 137 0.298 -0.542 10.628 1.00 73.00 H new ATOM 0 HH12 ARG A 137 0.576 -0.879 12.340 1.00 73.00 H new ATOM 0 HH21 ARG A 137 3.905 0.280 12.308 1.00 0.44 H new ATOM 0 HH22 ARG A 137 2.610 -0.416 13.287 1.00 0.44 H new ATOM 2051 N VAL A 138 1.618 0.018 4.619 1.00 41.33 N ATOM 2052 CA VAL A 138 0.639 -0.861 3.991 1.00 44.11 C ATOM 2053 C VAL A 138 0.554 -2.197 4.719 1.00 45.42 C ATOM 2054 O VAL A 138 1.529 -2.653 5.319 1.00 63.45 O ATOM 2055 CB VAL A 138 0.980 -1.115 2.511 1.00 64.01 C ATOM 2056 CG1 VAL A 138 0.386 -0.026 1.631 1.00 1.42 C ATOM 2057 CG2 VAL A 138 2.487 -1.205 2.320 1.00 53.45 C ATOM 0 H VAL A 138 2.526 -0.415 4.789 1.00 41.33 H new ATOM 0 HA VAL A 138 -0.325 -0.356 4.052 1.00 44.11 H new ATOM 0 HB VAL A 138 0.542 -2.067 2.213 1.00 64.01 H new ATOM 0 HG11 VAL A 138 0.638 -0.223 0.589 1.00 1.42 H new ATOM 0 HG12 VAL A 138 -0.698 -0.015 1.747 1.00 1.42 H new ATOM 0 HG13 VAL A 138 0.792 0.942 1.926 1.00 1.42 H new ATOM 0 HG21 VAL A 138 2.710 -1.385 1.268 1.00 53.45 H new ATOM 0 HG22 VAL A 138 2.950 -0.270 2.635 1.00 53.45 H new ATOM 0 HG23 VAL A 138 2.881 -2.025 2.920 1.00 53.45 H new ATOM 2067 N LEU A 139 -0.616 -2.823 4.661 1.00 71.43 N ATOM 2068 CA LEU A 139 -0.830 -4.110 5.315 1.00 50.43 C ATOM 2069 C LEU A 139 -1.728 -5.007 4.470 1.00 0.13 C ATOM 2070 O LEU A 139 -2.891 -4.697 4.212 1.00 52.32 O ATOM 2071 CB LEU A 139 -1.450 -3.904 6.698 1.00 22.31 C ATOM 2072 CG LEU A 139 -2.019 -5.154 7.370 1.00 63.54 C ATOM 2073 CD1 LEU A 139 -1.829 -5.084 8.877 1.00 24.30 C ATOM 2074 CD2 LEU A 139 -3.492 -5.322 7.024 1.00 1.03 C ATOM 0 H LEU A 139 -1.432 -2.460 4.168 1.00 71.43 H new ATOM 0 HA LEU A 139 0.138 -4.599 5.427 1.00 50.43 H new ATOM 0 HB2 LEU A 139 -0.692 -3.476 7.354 1.00 22.31 H new ATOM 0 HB3 LEU A 139 -2.249 -3.167 6.610 1.00 22.31 H new ATOM 0 HG LEU A 139 -1.477 -6.022 6.996 1.00 63.54 H new ATOM 0 HD11 LEU A 139 -2.240 -5.982 9.338 1.00 24.30 H new ATOM 0 HD12 LEU A 139 -0.766 -5.012 9.107 1.00 24.30 H new ATOM 0 HD13 LEU A 139 -2.345 -4.207 9.268 1.00 24.30 H new ATOM 0 HD21 LEU A 139 -3.880 -6.217 7.511 1.00 1.03 H new ATOM 0 HD22 LEU A 139 -4.048 -4.451 7.369 1.00 1.03 H new ATOM 0 HD23 LEU A 139 -3.603 -5.419 5.944 1.00 1.03 H new ATOM 2085 N PRO A 140 -1.178 -6.150 4.031 1.00 51.05 N ATOM 2086 CA PRO A 140 -1.914 -7.118 3.211 1.00 12.24 C ATOM 2087 C PRO A 140 -3.006 -7.831 3.998 1.00 24.32 C ATOM 2088 O PRO A 140 -2.838 -8.135 5.180 1.00 24.12 O ATOM 2089 CB PRO A 140 -0.831 -8.110 2.779 1.00 42.11 C ATOM 2090 CG PRO A 140 0.215 -8.014 3.834 1.00 35.01 C ATOM 2091 CD PRO A 140 0.203 -6.584 4.301 1.00 24.01 C ATOM 0 HA PRO A 140 -2.430 -6.640 2.379 1.00 12.24 H new ATOM 0 HB2 PRO A 140 -1.228 -9.123 2.707 1.00 42.11 H new ATOM 0 HB3 PRO A 140 -0.429 -7.855 1.799 1.00 42.11 H new ATOM 0 HG2 PRO A 140 0.002 -8.695 4.658 1.00 35.01 H new ATOM 0 HG3 PRO A 140 1.194 -8.287 3.439 1.00 35.01 H new ATOM 0 HD2 PRO A 140 0.450 -6.505 5.360 1.00 24.01 H new ATOM 0 HD3 PRO A 140 0.928 -5.978 3.758 1.00 24.01 H new ATOM 2096 N VAL A 141 -4.128 -8.098 3.337 1.00 5.45 N ATOM 2097 CA VAL A 141 -5.249 -8.779 3.974 1.00 51.45 C ATOM 2098 C VAL A 141 -5.580 -10.084 3.258 1.00 10.41 C ATOM 2099 O VAL A 141 -5.956 -11.072 3.888 1.00 40.22 O ATOM 2100 CB VAL A 141 -6.505 -7.888 4.000 1.00 0.42 C ATOM 2101 CG1 VAL A 141 -7.667 -8.621 4.654 1.00 14.22 C ATOM 2102 CG2 VAL A 141 -6.215 -6.580 4.721 1.00 61.20 C ATOM 0 H VAL A 141 -4.285 -7.853 2.359 1.00 5.45 H new ATOM 0 HA VAL A 141 -4.945 -8.997 4.998 1.00 51.45 H new ATOM 0 HB VAL A 141 -6.786 -7.656 2.973 1.00 0.42 H new ATOM 0 HG11 VAL A 141 -8.545 -7.976 4.663 1.00 14.22 H new ATOM 0 HG12 VAL A 141 -7.889 -9.527 4.091 1.00 14.22 H new ATOM 0 HG13 VAL A 141 -7.401 -8.886 5.677 1.00 14.22 H new ATOM 0 HG21 VAL A 141 -7.113 -5.963 4.730 1.00 61.20 H new ATOM 0 HG22 VAL A 141 -5.908 -6.790 5.746 1.00 61.20 H new ATOM 0 HG23 VAL A 141 -5.415 -6.049 4.204 1.00 61.20 H new ATOM 2112 N SER A 142 -5.435 -10.079 1.936 1.00 25.34 N ATOM 2113 CA SER A 142 -5.721 -11.262 1.132 1.00 31.44 C ATOM 2114 C SER A 142 -4.744 -11.377 -0.033 1.00 0.20 C ATOM 2115 O SER A 142 -4.433 -10.386 -0.696 1.00 23.30 O ATOM 2116 CB SER A 142 -7.157 -11.212 0.606 1.00 12.02 C ATOM 2117 OG SER A 142 -7.760 -12.494 0.645 1.00 13.11 O ATOM 0 H SER A 142 -5.122 -9.270 1.400 1.00 25.34 H new ATOM 0 HA SER A 142 -5.605 -12.140 1.768 1.00 31.44 H new ATOM 0 HB2 SER A 142 -7.742 -10.513 1.204 1.00 12.02 H new ATOM 0 HB3 SER A 142 -7.160 -10.836 -0.417 1.00 12.02 H new ATOM 0 HG SER A 142 -8.677 -12.434 0.305 1.00 13.11 H new ATOM 2122 N TRP A 143 -4.263 -12.591 -0.277 1.00 51.03 N ATOM 2123 CA TRP A 143 -3.321 -12.836 -1.363 1.00 74.13 C ATOM 2124 C TRP A 143 -3.613 -14.167 -2.046 1.00 10.31 C ATOM 2125 O TRP A 143 -4.599 -14.834 -1.734 1.00 75.40 O ATOM 2126 CB TRP A 143 -1.887 -12.824 -0.832 1.00 0.41 C ATOM 2127 CG TRP A 143 -1.615 -13.904 0.169 1.00 24.43 C ATOM 2128 CD1 TRP A 143 -0.952 -15.078 -0.051 1.00 62.20 C ATOM 2129 CD2 TRP A 143 -2.000 -13.911 1.548 1.00 23.23 C ATOM 2130 NE1 TRP A 143 -0.903 -15.815 1.109 1.00 3.50 N ATOM 2131 CE2 TRP A 143 -1.538 -15.121 2.104 1.00 12.14 C ATOM 2132 CE3 TRP A 143 -2.689 -13.014 2.368 1.00 64.13 C ATOM 2133 CZ2 TRP A 143 -1.745 -15.452 3.441 1.00 5.43 C ATOM 2134 CZ3 TRP A 143 -2.894 -13.345 3.694 1.00 11.51 C ATOM 2135 CH2 TRP A 143 -2.422 -14.554 4.220 1.00 24.43 C ATOM 0 H TRP A 143 -4.510 -13.421 0.262 1.00 51.03 H new ATOM 0 HA TRP A 143 -3.435 -12.040 -2.098 1.00 74.13 H new ATOM 0 HB2 TRP A 143 -1.197 -12.932 -1.669 1.00 0.41 H new ATOM 0 HB3 TRP A 143 -1.685 -11.855 -0.375 1.00 0.41 H new ATOM 0 HD1 TRP A 143 -0.529 -15.383 -0.997 1.00 62.20 H new ATOM 0 HE1 TRP A 143 -0.465 -16.730 1.212 1.00 3.50 H new ATOM 0 HE3 TRP A 143 -3.055 -12.078 1.972 1.00 64.13 H new ATOM 0 HZ2 TRP A 143 -1.384 -16.385 3.848 1.00 5.43 H new ATOM 0 HZ3 TRP A 143 -3.427 -12.659 4.336 1.00 11.51 H new ATOM 0 HH2 TRP A 143 -2.596 -14.782 5.261 1.00 24.43 H new ATOM 2145 N HIS A 144 -2.748 -14.548 -2.982 1.00 73.24 N ATOM 2146 CA HIS A 144 -2.914 -15.801 -3.710 1.00 71.01 C ATOM 2147 C HIS A 144 -1.565 -16.474 -3.946 1.00 3.14 C ATOM 2148 O HIS A 144 -0.642 -15.864 -4.485 1.00 61.22 O ATOM 2149 CB HIS A 144 -3.614 -15.551 -5.046 1.00 15.24 C ATOM 2150 CG HIS A 144 -4.911 -16.285 -5.189 1.00 72.02 C ATOM 2151 ND1 HIS A 144 -5.017 -17.655 -5.080 1.00 72.51 N ATOM 2152 CD2 HIS A 144 -6.163 -15.831 -5.434 1.00 31.53 C ATOM 2153 CE1 HIS A 144 -6.277 -18.012 -5.251 1.00 4.23 C ATOM 2154 NE2 HIS A 144 -6.993 -16.924 -5.467 1.00 44.04 N ATOM 0 H HIS A 144 -1.927 -14.008 -3.253 1.00 73.24 H new ATOM 0 HA HIS A 144 -3.531 -16.465 -3.105 1.00 71.01 H new ATOM 0 HB2 HIS A 144 -3.797 -14.482 -5.157 1.00 15.24 H new ATOM 0 HB3 HIS A 144 -2.948 -15.846 -5.857 1.00 15.24 H new ATOM 0 HD2 HIS A 144 -6.454 -14.801 -5.577 1.00 31.53 H new ATOM 0 HE1 HIS A 144 -6.657 -19.022 -5.219 1.00 4.23 H new ATOM 0 HE2 HIS A 144 -7.999 -16.900 -5.632 1.00 44.04 H new ATOM 2161 N ASN A 145 -1.458 -17.735 -3.540 1.00 33.31 N ATOM 2162 CA ASN A 145 -0.221 -18.489 -3.706 1.00 63.42 C ATOM 2163 C ASN A 145 0.829 -18.044 -2.693 1.00 64.43 C ATOM 2164 O ASN A 145 1.287 -18.836 -1.870 1.00 12.11 O ATOM 2165 CB ASN A 145 0.318 -18.316 -5.127 1.00 32.23 C ATOM 2166 CG ASN A 145 -0.786 -18.292 -6.166 1.00 50.01 C ATOM 2167 OD1 ASN A 145 -1.112 -17.239 -6.717 1.00 24.01 O ATOM 2168 ND2 ASN A 145 -1.367 -19.454 -6.438 1.00 43.14 N ATOM 0 H ASN A 145 -2.213 -18.256 -3.094 1.00 33.31 H new ATOM 0 HA ASN A 145 -0.441 -19.543 -3.533 1.00 63.42 H new ATOM 0 HB2 ASN A 145 0.888 -17.389 -5.186 1.00 32.23 H new ATOM 0 HB3 ASN A 145 1.008 -19.129 -5.352 1.00 32.23 H new ATOM 0 HD21 ASN A 145 -2.116 -19.500 -7.128 1.00 43.14 H new ATOM 0 HD22 ASN A 145 -1.064 -20.301 -5.957 1.00 43.14 H new ATOM 2174 N ARG A 146 1.204 -16.771 -2.760 1.00 33.14 N ATOM 2175 CA ARG A 146 2.201 -16.220 -1.849 1.00 62.14 C ATOM 2176 C ARG A 146 2.259 -14.699 -1.963 1.00 41.54 C ATOM 2177 O ARG A 146 2.131 -14.143 -3.055 1.00 23.34 O ATOM 2178 CB ARG A 146 3.578 -16.817 -2.143 1.00 63.55 C ATOM 2179 CG ARG A 146 4.653 -16.384 -1.160 1.00 64.32 C ATOM 2180 CD ARG A 146 4.749 -17.342 0.017 1.00 11.01 C ATOM 2181 NE ARG A 146 5.126 -18.689 -0.402 1.00 1.31 N ATOM 2182 CZ ARG A 146 5.766 -19.551 0.380 1.00 74.41 C ATOM 2183 NH1 ARG A 146 6.096 -19.208 1.618 1.00 31.51 N ATOM 2184 NH2 ARG A 146 6.075 -20.758 -0.073 1.00 63.22 N ATOM 0 H ARG A 146 0.833 -16.102 -3.435 1.00 33.14 H new ATOM 0 HA ARG A 146 1.910 -16.481 -0.831 1.00 62.14 H new ATOM 0 HB2 ARG A 146 3.503 -17.904 -2.131 1.00 63.55 H new ATOM 0 HB3 ARG A 146 3.881 -16.530 -3.150 1.00 63.55 H new ATOM 0 HG2 ARG A 146 5.615 -16.334 -1.670 1.00 64.32 H new ATOM 0 HG3 ARG A 146 4.433 -15.380 -0.797 1.00 64.32 H new ATOM 0 HD2 ARG A 146 5.482 -16.966 0.731 1.00 11.01 H new ATOM 0 HD3 ARG A 146 3.790 -17.378 0.534 1.00 11.01 H new ATOM 0 HE ARG A 146 4.884 -18.984 -1.348 1.00 1.31 H new ATOM 0 HH11 ARG A 146 5.858 -18.281 1.971 1.00 31.51 H new ATOM 0 HH12 ARG A 146 6.587 -19.871 2.217 1.00 31.51 H new ATOM 0 HH21 ARG A 146 5.821 -21.026 -1.024 1.00 63.22 H new ATOM 0 HH22 ARG A 146 6.567 -21.418 0.529 1.00 63.22 H new ATOM 2195 N ILE A 147 2.452 -14.033 -0.830 1.00 31.14 N ATOM 2196 CA ILE A 147 2.528 -12.577 -0.804 1.00 31.42 C ATOM 2197 C ILE A 147 3.759 -12.078 -1.551 1.00 0.42 C ATOM 2198 O ILE A 147 4.805 -11.824 -0.950 1.00 50.34 O ATOM 2199 CB ILE A 147 2.565 -12.042 0.640 1.00 11.40 C ATOM 2200 CG1 ILE A 147 1.278 -12.412 1.378 1.00 21.12 C ATOM 2201 CG2 ILE A 147 2.767 -10.535 0.640 1.00 54.34 C ATOM 2202 CD1 ILE A 147 1.339 -13.761 2.060 1.00 33.20 C ATOM 0 H ILE A 147 2.559 -14.478 0.082 1.00 31.14 H new ATOM 0 HA ILE A 147 1.631 -12.204 -1.298 1.00 31.42 H new ATOM 0 HB ILE A 147 3.405 -12.502 1.161 1.00 11.40 H new ATOM 0 HG12 ILE A 147 1.063 -11.646 2.124 1.00 21.12 H new ATOM 0 HG13 ILE A 147 0.449 -12.409 0.670 1.00 21.12 H new ATOM 0 HG21 ILE A 147 2.791 -10.171 1.667 1.00 54.34 H new ATOM 0 HG22 ILE A 147 3.709 -10.294 0.148 1.00 54.34 H new ATOM 0 HG23 ILE A 147 1.946 -10.058 0.105 1.00 54.34 H new ATOM 0 HD11 ILE A 147 0.392 -13.957 2.563 1.00 33.20 H new ATOM 0 HD12 ILE A 147 1.523 -14.537 1.316 1.00 33.20 H new ATOM 0 HD13 ILE A 147 2.146 -13.762 2.792 1.00 33.20 H new ATOM 2213 N THR A 148 3.629 -11.937 -2.867 1.00 13.33 N ATOM 2214 CA THR A 148 4.731 -11.466 -3.698 1.00 33.44 C ATOM 2215 C THR A 148 4.247 -10.457 -4.732 1.00 2.33 C ATOM 2216 O THR A 148 3.620 -10.823 -5.727 1.00 2.14 O ATOM 2217 CB THR A 148 5.426 -12.633 -4.422 1.00 24.04 C ATOM 2218 OG1 THR A 148 5.145 -13.866 -3.749 1.00 11.20 O ATOM 2219 CG2 THR A 148 6.931 -12.415 -4.482 1.00 43.31 C ATOM 0 H THR A 148 2.772 -12.142 -3.380 1.00 13.33 H new ATOM 0 HA THR A 148 5.446 -10.984 -3.032 1.00 33.44 H new ATOM 0 HB THR A 148 5.040 -12.679 -5.440 1.00 24.04 H new ATOM 0 HG1 THR A 148 5.590 -14.603 -4.217 1.00 11.20 H new ATOM 0 HG21 THR A 148 7.400 -13.253 -4.998 1.00 43.31 H new ATOM 0 HG22 THR A 148 7.144 -11.492 -5.021 1.00 43.31 H new ATOM 0 HG23 THR A 148 7.329 -12.344 -3.470 1.00 43.31 H new ATOM 2227 N LEU A 149 4.542 -9.184 -4.492 1.00 43.23 N ATOM 2228 CA LEU A 149 4.137 -8.120 -5.406 1.00 74.51 C ATOM 2229 C LEU A 149 4.967 -6.861 -5.176 1.00 74.32 C ATOM 2230 O LEU A 149 5.792 -6.807 -4.263 1.00 41.03 O ATOM 2231 CB LEU A 149 2.651 -7.806 -5.225 1.00 54.34 C ATOM 2232 CG LEU A 149 2.274 -7.052 -3.949 1.00 50.23 C ATOM 2233 CD1 LEU A 149 3.066 -7.581 -2.764 1.00 1.00 C ATOM 2234 CD2 LEU A 149 2.505 -5.558 -4.123 1.00 43.31 C ATOM 0 H LEU A 149 5.059 -8.863 -3.674 1.00 43.23 H new ATOM 0 HA LEU A 149 4.308 -8.464 -6.426 1.00 74.51 H new ATOM 0 HB2 LEU A 149 2.317 -7.220 -6.081 1.00 54.34 H new ATOM 0 HB3 LEU A 149 2.097 -8.744 -5.246 1.00 54.34 H new ATOM 0 HG LEU A 149 1.214 -7.214 -3.754 1.00 50.23 H new ATOM 0 HD11 LEU A 149 2.785 -7.033 -1.865 1.00 1.00 H new ATOM 0 HD12 LEU A 149 2.850 -8.640 -2.626 1.00 1.00 H new ATOM 0 HD13 LEU A 149 4.132 -7.449 -2.951 1.00 1.00 H new ATOM 0 HD21 LEU A 149 2.231 -5.038 -3.205 1.00 43.31 H new ATOM 0 HD22 LEU A 149 3.557 -5.376 -4.343 1.00 43.31 H new ATOM 0 HD23 LEU A 149 1.893 -5.189 -4.946 1.00 43.31 H new ATOM 2245 N ARG A 150 4.741 -5.850 -6.008 1.00 72.25 N ATOM 2246 CA ARG A 150 5.467 -4.590 -5.895 1.00 32.42 C ATOM 2247 C ARG A 150 4.506 -3.405 -5.918 1.00 31.03 C ATOM 2248 O ARG A 150 3.858 -3.138 -6.930 1.00 40.45 O ATOM 2249 CB ARG A 150 6.483 -4.459 -7.031 1.00 23.32 C ATOM 2250 CG ARG A 150 6.916 -3.027 -7.299 1.00 24.11 C ATOM 2251 CD ARG A 150 7.464 -2.367 -6.044 1.00 13.24 C ATOM 2252 NE ARG A 150 8.256 -3.294 -5.239 1.00 51.15 N ATOM 2253 CZ ARG A 150 8.487 -3.128 -3.941 1.00 62.45 C ATOM 2254 NH1 ARG A 150 7.990 -2.077 -3.306 1.00 72.23 N ATOM 2255 NH2 ARG A 150 9.216 -4.015 -3.277 1.00 64.42 N ATOM 0 H ARG A 150 4.061 -5.878 -6.768 1.00 72.25 H new ATOM 0 HA ARG A 150 5.996 -4.588 -4.942 1.00 32.42 H new ATOM 0 HB2 ARG A 150 7.362 -5.057 -6.791 1.00 23.32 H new ATOM 0 HB3 ARG A 150 6.053 -4.876 -7.942 1.00 23.32 H new ATOM 0 HG2 ARG A 150 7.677 -3.016 -8.079 1.00 24.11 H new ATOM 0 HG3 ARG A 150 6.068 -2.453 -7.673 1.00 24.11 H new ATOM 0 HD2 ARG A 150 8.080 -1.512 -6.323 1.00 13.24 H new ATOM 0 HD3 ARG A 150 6.638 -1.983 -5.446 1.00 13.24 H new ATOM 0 HE ARG A 150 8.653 -4.113 -5.698 1.00 51.15 H new ATOM 0 HH11 ARG A 150 7.429 -1.393 -3.813 1.00 72.23 H new ATOM 0 HH12 ARG A 150 8.169 -1.952 -2.310 1.00 72.23 H new ATOM 0 HH21 ARG A 150 9.600 -4.826 -3.763 1.00 64.42 H new ATOM 0 HH22 ARG A 150 9.393 -3.887 -2.281 1.00 64.42 H new ATOM 2266 N LEU A 151 4.419 -2.699 -4.796 1.00 14.41 N ATOM 2267 CA LEU A 151 3.537 -1.542 -4.688 1.00 14.12 C ATOM 2268 C LEU A 151 4.284 -0.254 -5.018 1.00 12.53 C ATOM 2269 O LEU A 151 4.854 0.388 -4.137 1.00 41.31 O ATOM 2270 CB LEU A 151 2.950 -1.455 -3.278 1.00 42.24 C ATOM 2271 CG LEU A 151 1.553 -2.052 -3.095 1.00 2.44 C ATOM 2272 CD1 LEU A 151 1.476 -2.842 -1.799 1.00 35.24 C ATOM 2273 CD2 LEU A 151 0.497 -0.956 -3.118 1.00 2.13 C ATOM 0 H LEU A 151 4.948 -2.907 -3.949 1.00 14.41 H new ATOM 0 HA LEU A 151 2.727 -1.665 -5.407 1.00 14.12 H new ATOM 0 HB2 LEU A 151 3.631 -1.957 -2.591 1.00 42.24 H new ATOM 0 HB3 LEU A 151 2.917 -0.406 -2.984 1.00 42.24 H new ATOM 0 HG LEU A 151 1.359 -2.733 -3.923 1.00 2.44 H new ATOM 0 HD11 LEU A 151 0.475 -3.259 -1.686 1.00 35.24 H new ATOM 0 HD12 LEU A 151 2.206 -3.651 -1.822 1.00 35.24 H new ATOM 0 HD13 LEU A 151 1.692 -2.183 -0.958 1.00 35.24 H new ATOM 0 HD21 LEU A 151 -0.490 -1.399 -2.987 1.00 2.13 H new ATOM 0 HD22 LEU A 151 0.688 -0.250 -2.310 1.00 2.13 H new ATOM 0 HD23 LEU A 151 0.536 -0.433 -4.074 1.00 2.13 H new ATOM 2284 N GLU A 152 4.277 0.118 -6.295 1.00 62.24 N ATOM 2285 CA GLU A 152 4.953 1.330 -6.741 1.00 43.12 C ATOM 2286 C GLU A 152 4.100 2.563 -6.461 1.00 15.01 C ATOM 2287 O GLU A 152 2.873 2.521 -6.565 1.00 11.12 O ATOM 2288 CB GLU A 152 5.268 1.243 -8.237 1.00 51.01 C ATOM 2289 CG GLU A 152 6.755 1.270 -8.547 1.00 44.14 C ATOM 2290 CD GLU A 152 7.103 2.254 -9.648 1.00 34.15 C ATOM 2291 OE1 GLU A 152 7.004 1.879 -10.835 1.00 34.51 O ATOM 2292 OE2 GLU A 152 7.476 3.401 -9.321 1.00 73.53 O ATOM 0 H GLU A 152 3.811 -0.403 -7.038 1.00 62.24 H new ATOM 0 HA GLU A 152 5.886 1.421 -6.185 1.00 43.12 H new ATOM 0 HB2 GLU A 152 4.838 0.325 -8.638 1.00 51.01 H new ATOM 0 HB3 GLU A 152 4.783 2.073 -8.751 1.00 51.01 H new ATOM 0 HG2 GLU A 152 7.306 1.531 -7.644 1.00 44.14 H new ATOM 0 HG3 GLU A 152 7.079 0.272 -8.841 1.00 44.14 H new ATOM 2297 N LEU A 153 4.758 3.661 -6.104 1.00 32.42 N ATOM 2298 CA LEU A 153 4.062 4.908 -5.806 1.00 65.04 C ATOM 2299 C LEU A 153 4.394 5.977 -6.843 1.00 13.14 C ATOM 2300 O LEU A 153 5.536 6.090 -7.289 1.00 2.42 O ATOM 2301 CB LEU A 153 4.434 5.402 -4.408 1.00 12.52 C ATOM 2302 CG LEU A 153 4.180 4.425 -3.260 1.00 41.23 C ATOM 2303 CD1 LEU A 153 2.871 3.682 -3.473 1.00 24.55 C ATOM 2304 CD2 LEU A 153 5.337 3.445 -3.129 1.00 23.22 C ATOM 0 H LEU A 153 5.773 3.713 -6.014 1.00 32.42 H new ATOM 0 HA LEU A 153 2.990 4.715 -5.841 1.00 65.04 H new ATOM 0 HB2 LEU A 153 5.492 5.665 -4.407 1.00 12.52 H new ATOM 0 HB3 LEU A 153 3.878 6.318 -4.208 1.00 12.52 H new ATOM 0 HG LEU A 153 4.105 4.993 -2.333 1.00 41.23 H new ATOM 0 HD11 LEU A 153 2.706 2.991 -2.646 1.00 24.55 H new ATOM 0 HD12 LEU A 153 2.050 4.397 -3.517 1.00 24.55 H new ATOM 0 HD13 LEU A 153 2.917 3.124 -4.408 1.00 24.55 H new ATOM 0 HD21 LEU A 153 5.140 2.757 -2.307 1.00 23.22 H new ATOM 0 HD22 LEU A 153 5.444 2.882 -4.056 1.00 23.22 H new ATOM 0 HD23 LEU A 153 6.258 3.994 -2.930 1.00 23.22 H new ATOM 2315 N LEU A 154 3.390 6.762 -7.218 1.00 42.54 N ATOM 2316 CA LEU A 154 3.577 7.825 -8.200 1.00 63.54 C ATOM 2317 C LEU A 154 3.162 9.175 -7.625 1.00 72.34 C ATOM 2318 O LEU A 154 2.241 9.259 -6.813 1.00 54.24 O ATOM 2319 CB LEU A 154 2.768 7.526 -9.465 1.00 33.53 C ATOM 2320 CG LEU A 154 2.656 6.053 -9.855 1.00 25.42 C ATOM 2321 CD1 LEU A 154 1.620 5.869 -10.954 1.00 50.35 C ATOM 2322 CD2 LEU A 154 4.008 5.513 -10.299 1.00 23.42 C ATOM 0 H LEU A 154 2.439 6.683 -6.858 1.00 42.54 H new ATOM 0 HA LEU A 154 4.636 7.869 -8.455 1.00 63.54 H new ATOM 0 HB2 LEU A 154 1.762 7.924 -9.332 1.00 33.53 H new ATOM 0 HB3 LEU A 154 3.217 8.069 -10.297 1.00 33.53 H new ATOM 0 HG LEU A 154 2.332 5.490 -8.980 1.00 25.42 H new ATOM 0 HD11 LEU A 154 1.554 4.814 -11.219 1.00 50.35 H new ATOM 0 HD12 LEU A 154 0.649 6.216 -10.600 1.00 50.35 H new ATOM 0 HD13 LEU A 154 1.914 6.445 -11.831 1.00 50.35 H new ATOM 0 HD21 LEU A 154 3.908 4.463 -10.573 1.00 23.42 H new ATOM 0 HD22 LEU A 154 4.361 6.080 -11.160 1.00 23.42 H new ATOM 0 HD23 LEU A 154 4.724 5.609 -9.483 1.00 23.42 H new ATOM 2333 N GLY A 155 3.846 10.231 -8.054 1.00 14.21 N ATOM 2334 CA GLY A 155 3.532 11.564 -7.574 1.00 34.45 C ATOM 2335 C GLY A 155 3.526 12.595 -8.685 1.00 22.42 C ATOM 2336 O GLY A 155 3.917 12.302 -9.816 1.00 53.22 O ATOM 0 H GLY A 155 4.612 10.187 -8.726 1.00 14.21 H new ATOM 0 HA2 GLY A 155 2.556 11.551 -7.089 1.00 34.45 H new ATOM 0 HA3 GLY A 155 4.260 11.855 -6.817 1.00 34.45 H new ATOM 2340 N CYS A 156 3.080 13.806 -8.365 1.00 24.24 N ATOM 2341 CA CYS A 156 3.023 14.883 -9.345 1.00 63.20 C ATOM 2342 C CYS A 156 4.361 15.611 -9.433 1.00 72.40 C ATOM 2343 O CYS A 156 4.698 16.192 -10.465 1.00 4.24 O ATOM 2344 CB CYS A 156 1.913 15.872 -8.981 1.00 13.04 C ATOM 2345 SG CYS A 156 0.426 15.739 -10.023 1.00 51.40 S ATOM 0 H CYS A 156 2.753 14.065 -7.434 1.00 24.24 H new ATOM 0 HA CYS A 156 2.805 14.444 -10.319 1.00 63.20 H new ATOM 0 HB2 CYS A 156 1.629 15.716 -7.940 1.00 13.04 H new ATOM 0 HB3 CYS A 156 2.306 16.886 -9.055 1.00 13.04 H new ATOM 2349 N LEU A 157 5.118 15.577 -8.342 1.00 11.41 N ATOM 2350 CA LEU A 157 6.420 16.233 -8.295 1.00 13.42 C ATOM 2351 C LEU A 157 6.299 17.711 -8.650 1.00 71.24 C ATOM 2352 O LEU A 157 7.250 18.323 -9.136 1.00 35.33 O ATOM 2353 CB LEU A 157 7.396 15.545 -9.252 1.00 73.23 C ATOM 2354 CG LEU A 157 8.716 15.074 -8.641 1.00 5.22 C ATOM 2355 CD1 LEU A 157 9.393 16.210 -7.892 1.00 33.12 C ATOM 2356 CD2 LEU A 157 8.483 13.887 -7.719 1.00 34.03 C ATOM 0 H LEU A 157 4.853 15.103 -7.479 1.00 11.41 H new ATOM 0 HA LEU A 157 6.802 16.153 -7.277 1.00 13.42 H new ATOM 0 HB2 LEU A 157 6.895 14.683 -9.693 1.00 73.23 H new ATOM 0 HB3 LEU A 157 7.621 16.234 -10.066 1.00 73.23 H new ATOM 0 HG LEU A 157 9.375 14.756 -9.449 1.00 5.22 H new ATOM 0 HD11 LEU A 157 10.331 15.856 -7.464 1.00 33.12 H new ATOM 0 HD12 LEU A 157 9.595 17.030 -8.581 1.00 33.12 H new ATOM 0 HD13 LEU A 157 8.739 16.560 -7.093 1.00 33.12 H new ATOM 0 HD21 LEU A 157 9.433 13.565 -7.293 1.00 34.03 H new ATOM 0 HD22 LEU A 157 7.805 14.177 -6.916 1.00 34.03 H new ATOM 0 HD23 LEU A 157 8.043 13.067 -8.286 1.00 34.03 H new ATOM 2367 N GLU A 158 5.123 18.280 -8.402 1.00 24.30 N ATOM 2368 CA GLU A 158 4.878 19.686 -8.695 1.00 12.44 C ATOM 2369 C GLU A 158 5.045 20.540 -7.441 1.00 2.40 C ATOM 2370 O GLU A 158 4.237 20.468 -6.517 1.00 42.25 O ATOM 2371 CB GLU A 158 3.472 19.874 -9.269 1.00 35.45 C ATOM 2372 CG GLU A 158 3.453 20.588 -10.610 1.00 65.34 C ATOM 2373 CD GLU A 158 2.474 21.747 -10.640 1.00 24.13 C ATOM 2374 OE1 GLU A 158 2.697 22.728 -9.901 1.00 44.44 O ATOM 2375 OE2 GLU A 158 1.487 21.671 -11.401 1.00 3.32 O ATOM 0 H GLU A 158 4.326 17.788 -7.999 1.00 24.30 H new ATOM 0 HA GLU A 158 5.611 20.009 -9.435 1.00 12.44 H new ATOM 0 HB2 GLU A 158 3.000 18.898 -9.380 1.00 35.45 H new ATOM 0 HB3 GLU A 158 2.871 20.439 -8.557 1.00 35.45 H new ATOM 0 HG2 GLU A 158 4.454 20.957 -10.835 1.00 65.34 H new ATOM 0 HG3 GLU A 158 3.192 19.876 -11.393 1.00 65.34 H new