USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 669 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 117 ASN : amide:sc= 0.64 X(o=1.2,f=0.98) USER MOD Set 1.2: A 118 SER OG : rot -172:sc= 0.586 USER MOD Set 2.1: A 110 THR OG1 : rot 180:sc=-0.00167 USER MOD Set 2.2: A 113 GLN : amide:sc= 0.637 K(o=0.63,f=-11!) USER MOD Set 3.1: A 58 HIS : no HE2:sc= 0 X(o=-1.6,f=-2) USER MOD Set 3.2: A 67 HIS :FLIP no HD1:sc= -1.58 F(o=-2.3!,f=-1.6) USER MOD Set 4.1: A 55 SER OG : rot 94:sc= 0.86 USER MOD Set 4.2: A 66 THR OG1 : rot 180:sc= 0.744 USER MOD Single : A 38 THR OG1 : rot 82:sc= 0.758 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -5:sc= 1.07 USER MOD Single : A 53 ASN : amide:sc= -0.508 K(o=-0.51,f=-3.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 150:sc= 0.505 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00341 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= 0.506 K(o=0.51,f=-3!) USER MOD Single : A 90 HIS : no HD1:sc=-0.00306 X(o=-0.0031,f=-0.0078) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.0763 K(o=-0.076,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 0.431 12.031 9.604 1.00 2.44 N ATOM 2 CA PRO A 31 0.844 11.717 8.246 1.00 2.05 C ATOM 3 C PRO A 31 -0.135 10.766 7.546 1.00 1.75 C ATOM 4 O PRO A 31 -0.717 9.856 8.153 1.00 1.70 O ATOM 5 CB PRO A 31 2.243 11.104 8.363 1.00 2.01 C ATOM 6 CG PRO A 31 2.770 11.661 9.683 1.00 2.52 C ATOM 7 CD PRO A 31 1.506 11.721 10.537 1.00 2.60 C ATOM 0 HA PRO A 31 0.854 12.614 7.628 1.00 2.05 H new ATOM 0 HB2 PRO A 31 2.204 10.015 8.375 1.00 2.01 H new ATOM 0 HB3 PRO A 31 2.878 11.391 7.525 1.00 2.01 H new ATOM 0 HG2 PRO A 31 3.528 11.014 10.124 1.00 2.52 H new ATOM 0 HG3 PRO A 31 3.223 12.644 9.558 1.00 2.52 H new ATOM 0 HD2 PRO A 31 1.327 10.772 11.043 1.00 2.60 H new ATOM 0 HD3 PRO A 31 1.589 12.484 11.311 1.00 2.60 H new ATOM 15 N VAL A 32 -0.248 10.909 6.227 1.00 1.62 N ATOM 16 CA VAL A 32 -1.149 10.075 5.413 1.00 1.57 C ATOM 17 C VAL A 32 -0.644 8.637 5.289 1.00 1.25 C ATOM 18 O VAL A 32 -1.377 7.758 4.852 1.00 1.18 O ATOM 19 CB VAL A 32 -1.509 10.693 4.048 1.00 1.73 C ATOM 20 CG1 VAL A 32 -2.022 12.126 4.209 1.00 2.98 C ATOM 21 CG2 VAL A 32 -0.357 10.681 3.039 1.00 2.12 C ATOM 0 H VAL A 32 0.276 11.600 5.689 1.00 1.62 H new ATOM 0 HA VAL A 32 -2.089 10.039 5.963 1.00 1.57 H new ATOM 0 HB VAL A 32 -2.296 10.055 3.646 1.00 1.73 H new ATOM 0 HG11 VAL A 32 -2.268 12.537 3.230 1.00 2.98 H new ATOM 0 HG12 VAL A 32 -2.913 12.125 4.837 1.00 2.98 H new ATOM 0 HG13 VAL A 32 -1.250 12.738 4.676 1.00 2.98 H new ATOM 0 HG21 VAL A 32 -0.688 11.132 2.104 1.00 2.12 H new ATOM 0 HG22 VAL A 32 0.483 11.249 3.439 1.00 2.12 H new ATOM 0 HG23 VAL A 32 -0.045 9.653 2.855 1.00 2.12 H new ATOM 31 N GLU A 33 0.579 8.362 5.750 1.00 1.15 N ATOM 32 CA GLU A 33 1.111 6.996 5.855 1.00 0.97 C ATOM 33 C GLU A 33 0.439 6.246 7.034 1.00 0.89 C ATOM 34 O GLU A 33 0.067 5.078 6.917 1.00 0.83 O ATOM 35 CB GLU A 33 2.661 7.070 5.876 1.00 1.00 C ATOM 36 CG GLU A 33 3.330 6.676 7.190 1.00 1.42 C ATOM 37 CD GLU A 33 4.856 6.881 7.214 1.00 1.88 C ATOM 38 OE1 GLU A 33 5.553 6.173 7.979 1.00 3.10 O ATOM 39 OE2 GLU A 33 5.385 7.795 6.538 1.00 2.27 O ATOM 0 H GLU A 33 1.232 9.081 6.062 1.00 1.15 H new ATOM 0 HA GLU A 33 0.860 6.386 4.987 1.00 0.97 H new ATOM 0 HB2 GLU A 33 3.047 6.425 5.087 1.00 1.00 H new ATOM 0 HB3 GLU A 33 2.960 8.089 5.630 1.00 1.00 H new ATOM 0 HG2 GLU A 33 2.885 7.256 7.998 1.00 1.42 H new ATOM 0 HG3 GLU A 33 3.113 5.627 7.394 1.00 1.42 H new ATOM 46 N ALA A 34 0.164 6.965 8.130 1.00 0.96 N ATOM 47 CA ALA A 34 -0.602 6.502 9.287 1.00 1.00 C ATOM 48 C ALA A 34 -2.126 6.544 9.029 1.00 1.02 C ATOM 49 O ALA A 34 -2.871 5.669 9.499 1.00 0.96 O ATOM 50 CB ALA A 34 -0.126 7.322 10.486 1.00 1.39 C ATOM 0 H ALA A 34 0.485 7.927 8.236 1.00 0.96 H new ATOM 0 HA ALA A 34 -0.422 5.447 9.495 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.671 7.012 11.378 1.00 1.39 H new ATOM 0 HB2 ALA A 34 0.941 7.159 10.638 1.00 1.39 H new ATOM 0 HB3 ALA A 34 -0.309 8.380 10.299 1.00 1.39 H new ATOM 56 N ALA A 35 -2.587 7.480 8.187 1.00 1.15 N ATOM 57 CA ALA A 35 -3.942 7.410 7.627 1.00 1.21 C ATOM 58 C ALA A 35 -4.149 6.181 6.710 1.00 1.11 C ATOM 59 O ALA A 35 -5.173 5.507 6.828 1.00 1.07 O ATOM 60 CB ALA A 35 -4.277 8.711 6.900 1.00 1.42 C ATOM 0 H ALA A 35 -2.045 8.288 7.881 1.00 1.15 H new ATOM 0 HA ALA A 35 -4.633 7.283 8.460 1.00 1.21 H new ATOM 0 HB1 ALA A 35 -5.284 8.649 6.488 1.00 1.42 H new ATOM 0 HB2 ALA A 35 -4.222 9.544 7.601 1.00 1.42 H new ATOM 0 HB3 ALA A 35 -3.564 8.870 6.091 1.00 1.42 H new ATOM 66 N ILE A 36 -3.175 5.819 5.857 1.00 1.11 N ATOM 67 CA ILE A 36 -3.203 4.551 5.102 1.00 1.09 C ATOM 68 C ILE A 36 -3.244 3.374 6.069 1.00 0.92 C ATOM 69 O ILE A 36 -4.143 2.552 5.931 1.00 0.99 O ATOM 70 CB ILE A 36 -2.040 4.421 4.083 1.00 1.26 C ATOM 71 CG1 ILE A 36 -2.402 5.186 2.791 1.00 2.11 C ATOM 72 CG2 ILE A 36 -1.647 2.959 3.755 1.00 1.57 C ATOM 73 CD1 ILE A 36 -1.319 5.109 1.707 1.00 2.15 C ATOM 0 H ILE A 36 -2.351 6.391 5.671 1.00 1.11 H new ATOM 0 HA ILE A 36 -4.113 4.547 4.502 1.00 1.09 H new ATOM 0 HB ILE A 36 -1.161 4.860 4.554 1.00 1.26 H new ATOM 0 HG12 ILE A 36 -3.334 4.786 2.391 1.00 2.11 H new ATOM 0 HG13 ILE A 36 -2.584 6.232 3.037 1.00 2.11 H new ATOM 0 HG21 ILE A 36 -0.828 2.955 3.036 1.00 1.57 H new ATOM 0 HG22 ILE A 36 -1.331 2.454 4.668 1.00 1.57 H new ATOM 0 HG23 ILE A 36 -2.505 2.438 3.330 1.00 1.57 H new ATOM 0 HD11 ILE A 36 -1.642 5.669 0.829 1.00 2.15 H new ATOM 0 HD12 ILE A 36 -0.391 5.536 2.088 1.00 2.15 H new ATOM 0 HD13 ILE A 36 -1.153 4.067 1.432 1.00 2.15 H new ATOM 85 N ARG A 37 -2.348 3.290 7.066 1.00 0.80 N ATOM 86 CA ARG A 37 -2.380 2.200 8.060 1.00 0.67 C ATOM 87 C ARG A 37 -3.788 2.000 8.628 1.00 0.70 C ATOM 88 O ARG A 37 -4.335 0.904 8.554 1.00 0.71 O ATOM 89 CB ARG A 37 -1.369 2.470 9.176 1.00 0.69 C ATOM 90 CG ARG A 37 -1.391 1.306 10.174 1.00 1.76 C ATOM 91 CD ARG A 37 -0.292 1.458 11.211 1.00 2.20 C ATOM 92 NE ARG A 37 -0.493 2.635 12.076 1.00 2.87 N ATOM 93 CZ ARG A 37 0.389 3.549 12.431 1.00 3.61 C ATOM 94 NH1 ARG A 37 1.594 3.618 11.950 1.00 4.28 N ATOM 95 NH2 ARG A 37 0.060 4.436 13.313 1.00 4.68 N ATOM 0 H ARG A 37 -1.593 3.962 7.207 1.00 0.80 H new ATOM 0 HA ARG A 37 -2.101 1.274 7.557 1.00 0.67 H new ATOM 0 HB2 ARG A 37 -0.370 2.585 8.757 1.00 0.69 H new ATOM 0 HB3 ARG A 37 -1.611 3.404 9.684 1.00 0.69 H new ATOM 0 HG2 ARG A 37 -2.361 1.266 10.670 1.00 1.76 H new ATOM 0 HG3 ARG A 37 -1.266 0.363 9.642 1.00 1.76 H new ATOM 0 HD2 ARG A 37 -0.252 0.560 11.828 1.00 2.20 H new ATOM 0 HD3 ARG A 37 0.671 1.542 10.706 1.00 2.20 H new ATOM 0 HE ARG A 37 -1.435 2.758 12.447 1.00 2.87 H new ATOM 0 HH11 ARG A 37 1.905 2.939 11.255 1.00 4.28 H new ATOM 0 HH12 ARG A 37 2.229 4.351 12.267 1.00 4.28 H new ATOM 0 HH21 ARG A 37 -0.873 4.423 13.726 1.00 4.68 H new ATOM 0 HH22 ARG A 37 0.733 5.148 13.596 1.00 4.68 H new ATOM 109 N THR A 38 -4.392 3.085 9.107 1.00 0.78 N ATOM 110 CA THR A 38 -5.773 3.126 9.618 1.00 0.92 C ATOM 111 C THR A 38 -6.811 2.594 8.605 1.00 0.94 C ATOM 112 O THR A 38 -7.532 1.623 8.888 1.00 0.94 O ATOM 113 CB THR A 38 -6.077 4.574 10.051 1.00 1.13 C ATOM 114 OG1 THR A 38 -5.171 4.946 11.074 1.00 1.27 O ATOM 115 CG2 THR A 38 -7.485 4.797 10.587 1.00 1.45 C ATOM 0 H THR A 38 -3.926 3.991 9.155 1.00 0.78 H new ATOM 0 HA THR A 38 -5.854 2.454 10.473 1.00 0.92 H new ATOM 0 HB THR A 38 -5.977 5.177 9.149 1.00 1.13 H new ATOM 0 HG1 THR A 38 -4.320 5.221 10.673 1.00 1.27 H new ATOM 0 HG21 THR A 38 -7.607 5.844 10.866 1.00 1.45 H new ATOM 0 HG22 THR A 38 -8.212 4.540 9.817 1.00 1.45 H new ATOM 0 HG23 THR A 38 -7.645 4.167 11.462 1.00 1.45 H new ATOM 123 N LYS A 39 -6.885 3.188 7.403 1.00 1.01 N ATOM 124 CA LYS A 39 -7.929 2.853 6.414 1.00 1.11 C ATOM 125 C LYS A 39 -7.709 1.515 5.710 1.00 1.16 C ATOM 126 O LYS A 39 -8.698 0.896 5.320 1.00 1.32 O ATOM 127 CB LYS A 39 -8.131 3.995 5.398 1.00 1.28 C ATOM 128 CG LYS A 39 -8.541 5.354 6.001 1.00 2.45 C ATOM 129 CD LYS A 39 -9.654 5.308 7.054 1.00 2.94 C ATOM 130 CE LYS A 39 -10.991 4.791 6.513 1.00 3.15 C ATOM 131 NZ LYS A 39 -11.973 4.642 7.612 1.00 4.29 N ATOM 0 H LYS A 39 -6.232 3.906 7.089 1.00 1.01 H new ATOM 0 HA LYS A 39 -8.848 2.736 6.988 1.00 1.11 H new ATOM 0 HB2 LYS A 39 -7.205 4.129 4.840 1.00 1.28 H new ATOM 0 HB3 LYS A 39 -8.894 3.690 4.681 1.00 1.28 H new ATOM 0 HG2 LYS A 39 -7.660 5.811 6.451 1.00 2.45 H new ATOM 0 HG3 LYS A 39 -8.861 6.008 5.190 1.00 2.45 H new ATOM 0 HD2 LYS A 39 -9.335 4.671 7.879 1.00 2.94 H new ATOM 0 HD3 LYS A 39 -9.799 6.309 7.461 1.00 2.94 H new ATOM 0 HE2 LYS A 39 -11.378 5.481 5.763 1.00 3.15 H new ATOM 0 HE3 LYS A 39 -10.843 3.832 6.017 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 -12.873 4.291 7.228 1.00 4.29 H new ATOM 0 HZ2 LYS A 39 -11.609 3.966 8.314 1.00 4.29 H new ATOM 0 HZ3 LYS A 39 -12.127 5.564 8.067 1.00 4.29 H new ATOM 145 N LEU A 40 -6.471 1.031 5.582 1.00 1.06 N ATOM 146 CA LEU A 40 -6.157 -0.294 5.053 1.00 1.08 C ATOM 147 C LEU A 40 -6.302 -1.407 6.108 1.00 1.02 C ATOM 148 O LEU A 40 -6.694 -2.519 5.749 1.00 1.10 O ATOM 149 CB LEU A 40 -4.767 -0.261 4.393 1.00 1.09 C ATOM 150 CG LEU A 40 -4.692 0.398 2.999 1.00 1.24 C ATOM 151 CD1 LEU A 40 -5.395 -0.464 1.948 1.00 1.52 C ATOM 152 CD2 LEU A 40 -5.218 1.830 2.854 1.00 1.57 C ATOM 0 H LEU A 40 -5.643 1.563 5.850 1.00 1.06 H new ATOM 0 HA LEU A 40 -6.891 -0.549 4.289 1.00 1.08 H new ATOM 0 HB2 LEU A 40 -4.084 0.266 5.059 1.00 1.09 H new ATOM 0 HB3 LEU A 40 -4.403 -1.285 4.308 1.00 1.09 H new ATOM 0 HG LEU A 40 -3.615 0.468 2.845 1.00 1.24 H new ATOM 0 HD11 LEU A 40 -5.328 0.022 0.975 1.00 1.52 H new ATOM 0 HD12 LEU A 40 -4.915 -1.442 1.899 1.00 1.52 H new ATOM 0 HD13 LEU A 40 -6.443 -0.587 2.221 1.00 1.52 H new ATOM 0 HD21 LEU A 40 -5.100 2.158 1.821 1.00 1.57 H new ATOM 0 HD22 LEU A 40 -6.273 1.859 3.126 1.00 1.57 H new ATOM 0 HD23 LEU A 40 -4.656 2.493 3.512 1.00 1.57 H new ATOM 164 N GLU A 41 -6.105 -1.123 7.402 1.00 0.91 N ATOM 165 CA GLU A 41 -6.594 -2.002 8.478 1.00 0.92 C ATOM 166 C GLU A 41 -8.124 -2.129 8.426 1.00 1.07 C ATOM 167 O GLU A 41 -8.634 -3.251 8.461 1.00 1.25 O ATOM 168 CB GLU A 41 -6.106 -1.543 9.865 1.00 0.82 C ATOM 169 CG GLU A 41 -4.642 -1.941 10.134 1.00 1.26 C ATOM 170 CD GLU A 41 -4.085 -1.429 11.474 1.00 1.66 C ATOM 171 OE1 GLU A 41 -4.807 -0.770 12.261 1.00 2.32 O ATOM 172 OE2 GLU A 41 -2.901 -1.723 11.774 1.00 2.71 O ATOM 0 H GLU A 41 -5.611 -0.293 7.731 1.00 0.91 H new ATOM 0 HA GLU A 41 -6.171 -2.993 8.312 1.00 0.92 H new ATOM 0 HB2 GLU A 41 -6.205 -0.460 9.942 1.00 0.82 H new ATOM 0 HB3 GLU A 41 -6.745 -1.977 10.634 1.00 0.82 H new ATOM 0 HG2 GLU A 41 -4.563 -3.028 10.112 1.00 1.26 H new ATOM 0 HG3 GLU A 41 -4.019 -1.560 9.325 1.00 1.26 H new ATOM 179 N GLU A 42 -8.860 -1.027 8.208 1.00 1.10 N ATOM 180 CA GLU A 42 -10.300 -1.088 7.923 1.00 1.27 C ATOM 181 C GLU A 42 -10.631 -1.863 6.624 1.00 1.41 C ATOM 182 O GLU A 42 -11.596 -2.631 6.587 1.00 1.54 O ATOM 183 CB GLU A 42 -10.844 0.355 7.868 1.00 1.34 C ATOM 184 CG GLU A 42 -12.194 0.525 8.568 1.00 1.67 C ATOM 185 CD GLU A 42 -13.360 -0.174 7.860 1.00 2.14 C ATOM 186 OE1 GLU A 42 -13.818 0.326 6.801 1.00 2.99 O ATOM 187 OE2 GLU A 42 -13.855 -1.209 8.372 1.00 3.12 O ATOM 0 H GLU A 42 -8.479 -0.081 8.224 1.00 1.10 H new ATOM 0 HA GLU A 42 -10.786 -1.647 8.722 1.00 1.27 H new ATOM 0 HB2 GLU A 42 -10.118 1.026 8.327 1.00 1.34 H new ATOM 0 HB3 GLU A 42 -10.943 0.658 6.826 1.00 1.34 H new ATOM 0 HG2 GLU A 42 -12.115 0.138 9.584 1.00 1.67 H new ATOM 0 HG3 GLU A 42 -12.418 1.589 8.649 1.00 1.67 H new ATOM 194 N ALA A 43 -9.818 -1.725 5.570 1.00 1.40 N ATOM 195 CA ALA A 43 -10.102 -2.292 4.248 1.00 1.55 C ATOM 196 C ALA A 43 -9.854 -3.805 4.125 1.00 1.53 C ATOM 197 O ALA A 43 -10.715 -4.492 3.570 1.00 1.74 O ATOM 198 CB ALA A 43 -9.296 -1.544 3.184 1.00 1.55 C ATOM 0 H ALA A 43 -8.937 -1.212 5.612 1.00 1.40 H new ATOM 0 HA ALA A 43 -11.173 -2.161 4.095 1.00 1.55 H new ATOM 0 HB1 ALA A 43 -9.509 -1.967 2.202 1.00 1.55 H new ATOM 0 HB2 ALA A 43 -9.573 -0.490 3.192 1.00 1.55 H new ATOM 0 HB3 ALA A 43 -8.232 -1.642 3.398 1.00 1.55 H new ATOM 204 N LEU A 44 -8.699 -4.326 4.575 1.00 1.32 N ATOM 205 CA LEU A 44 -8.345 -5.753 4.471 1.00 1.26 C ATOM 206 C LEU A 44 -7.803 -6.425 5.746 1.00 1.29 C ATOM 207 O LEU A 44 -7.657 -7.650 5.762 1.00 1.45 O ATOM 208 CB LEU A 44 -7.409 -6.012 3.278 1.00 1.13 C ATOM 209 CG LEU A 44 -5.967 -5.491 3.431 1.00 0.94 C ATOM 210 CD1 LEU A 44 -4.978 -6.417 2.726 1.00 1.16 C ATOM 211 CD2 LEU A 44 -5.827 -4.106 2.812 1.00 1.59 C ATOM 0 H LEU A 44 -7.978 -3.763 5.026 1.00 1.32 H new ATOM 0 HA LEU A 44 -9.307 -6.238 4.307 1.00 1.26 H new ATOM 0 HB2 LEU A 44 -7.370 -7.086 3.098 1.00 1.13 H new ATOM 0 HB3 LEU A 44 -7.848 -5.556 2.391 1.00 1.13 H new ATOM 0 HG LEU A 44 -5.750 -5.452 4.499 1.00 0.94 H new ATOM 0 HD11 LEU A 44 -3.967 -6.029 2.847 1.00 1.16 H new ATOM 0 HD12 LEU A 44 -5.039 -7.414 3.162 1.00 1.16 H new ATOM 0 HD13 LEU A 44 -5.222 -6.469 1.665 1.00 1.16 H new ATOM 0 HD21 LEU A 44 -4.801 -3.756 2.931 1.00 1.59 H new ATOM 0 HD22 LEU A 44 -6.073 -4.155 1.751 1.00 1.59 H new ATOM 0 HD23 LEU A 44 -6.506 -3.414 3.310 1.00 1.59 H new ATOM 223 N SER A 45 -7.481 -5.664 6.800 1.00 1.30 N ATOM 224 CA SER A 45 -6.838 -6.148 8.038 1.00 1.38 C ATOM 225 C SER A 45 -5.480 -6.878 7.802 1.00 1.17 C ATOM 226 O SER A 45 -5.403 -8.108 7.877 1.00 1.30 O ATOM 227 CB SER A 45 -7.867 -6.907 8.895 1.00 1.76 C ATOM 228 OG SER A 45 -8.336 -8.105 8.310 1.00 1.98 O ATOM 0 H SER A 45 -7.665 -4.661 6.819 1.00 1.30 H new ATOM 0 HA SER A 45 -6.521 -5.287 8.627 1.00 1.38 H new ATOM 0 HB2 SER A 45 -7.419 -7.139 9.861 1.00 1.76 H new ATOM 0 HB3 SER A 45 -8.717 -6.252 9.087 1.00 1.76 H new ATOM 0 HG SER A 45 -7.966 -8.195 7.407 1.00 1.98 H new ATOM 234 N PRO A 46 -4.400 -6.140 7.444 1.00 0.95 N ATOM 235 CA PRO A 46 -3.055 -6.686 7.203 1.00 0.76 C ATOM 236 C PRO A 46 -2.465 -7.483 8.373 1.00 0.84 C ATOM 237 O PRO A 46 -2.682 -7.127 9.527 1.00 1.13 O ATOM 238 CB PRO A 46 -2.151 -5.466 6.992 1.00 0.73 C ATOM 239 CG PRO A 46 -3.075 -4.347 6.549 1.00 0.87 C ATOM 240 CD PRO A 46 -4.383 -4.695 7.254 1.00 0.97 C ATOM 0 HA PRO A 46 -3.119 -7.376 6.362 1.00 0.76 H new ATOM 0 HB2 PRO A 46 -1.628 -5.202 7.911 1.00 0.73 H new ATOM 0 HB3 PRO A 46 -1.390 -5.668 6.238 1.00 0.73 H new ATOM 0 HG2 PRO A 46 -2.700 -3.369 6.850 1.00 0.87 H new ATOM 0 HG3 PRO A 46 -3.192 -4.323 5.466 1.00 0.87 H new ATOM 0 HD2 PRO A 46 -4.452 -4.180 8.212 1.00 0.97 H new ATOM 0 HD3 PRO A 46 -5.238 -4.375 6.658 1.00 0.97 H new ATOM 248 N GLU A 47 -1.567 -8.436 8.093 1.00 0.77 N ATOM 249 CA GLU A 47 -0.541 -8.800 9.066 1.00 0.80 C ATOM 250 C GLU A 47 0.575 -7.757 9.099 1.00 0.77 C ATOM 251 O GLU A 47 1.147 -7.514 10.156 1.00 0.83 O ATOM 252 CB GLU A 47 0.137 -10.102 8.655 1.00 0.81 C ATOM 253 CG GLU A 47 0.709 -10.862 9.849 1.00 0.94 C ATOM 254 CD GLU A 47 -0.210 -11.964 10.404 1.00 1.30 C ATOM 255 OE1 GLU A 47 -0.299 -12.099 11.651 1.00 2.16 O ATOM 256 OE2 GLU A 47 -0.833 -12.715 9.614 1.00 2.27 O ATOM 0 H GLU A 47 -1.533 -8.958 7.217 1.00 0.77 H new ATOM 0 HA GLU A 47 -1.040 -8.882 10.032 1.00 0.80 H new ATOM 0 HB2 GLU A 47 -0.582 -10.735 8.136 1.00 0.81 H new ATOM 0 HB3 GLU A 47 0.938 -9.884 7.949 1.00 0.81 H new ATOM 0 HG2 GLU A 47 1.658 -11.311 9.557 1.00 0.94 H new ATOM 0 HG3 GLU A 47 0.925 -10.151 10.646 1.00 0.94 H new ATOM 263 N VAL A 48 0.943 -7.188 7.939 1.00 0.75 N ATOM 264 CA VAL A 48 2.198 -6.448 7.806 1.00 0.77 C ATOM 265 C VAL A 48 2.039 -5.254 6.872 1.00 0.90 C ATOM 266 O VAL A 48 1.309 -5.311 5.882 1.00 1.33 O ATOM 267 CB VAL A 48 3.378 -7.336 7.342 1.00 1.17 C ATOM 268 CG1 VAL A 48 4.570 -6.996 8.166 1.00 0.64 C ATOM 269 CG2 VAL A 48 3.347 -8.867 7.516 1.00 2.47 C ATOM 0 H VAL A 48 0.387 -7.229 7.085 1.00 0.75 H new ATOM 0 HA VAL A 48 2.441 -6.088 8.806 1.00 0.77 H new ATOM 0 HB VAL A 48 3.358 -7.124 6.273 1.00 1.17 H new ATOM 0 HG11 VAL A 48 5.415 -7.611 7.855 1.00 0.64 H new ATOM 0 HG12 VAL A 48 4.818 -5.943 8.030 1.00 0.64 H new ATOM 0 HG13 VAL A 48 4.351 -7.184 9.217 1.00 0.64 H new ATOM 0 HG21 VAL A 48 4.270 -9.296 7.126 1.00 2.47 H new ATOM 0 HG22 VAL A 48 3.252 -9.111 8.574 1.00 2.47 H new ATOM 0 HG23 VAL A 48 2.497 -9.278 6.972 1.00 2.47 H new ATOM 279 N LEU A 49 2.709 -4.157 7.214 1.00 0.78 N ATOM 280 CA LEU A 49 2.499 -2.840 6.621 1.00 0.66 C ATOM 281 C LEU A 49 3.788 -2.021 6.772 1.00 0.69 C ATOM 282 O LEU A 49 4.144 -1.671 7.901 1.00 0.89 O ATOM 283 CB LEU A 49 1.284 -2.229 7.370 1.00 1.29 C ATOM 284 CG LEU A 49 0.744 -0.857 6.933 1.00 1.20 C ATOM 285 CD1 LEU A 49 1.575 0.298 7.482 1.00 2.08 C ATOM 286 CD2 LEU A 49 0.603 -0.774 5.415 1.00 1.53 C ATOM 0 H LEU A 49 3.434 -4.160 7.932 1.00 0.78 H new ATOM 0 HA LEU A 49 2.281 -2.867 5.553 1.00 0.66 H new ATOM 0 HB2 LEU A 49 0.463 -2.942 7.299 1.00 1.29 H new ATOM 0 HB3 LEU A 49 1.552 -2.155 8.424 1.00 1.29 H new ATOM 0 HG LEU A 49 -0.251 -0.757 7.367 1.00 1.20 H new ATOM 0 HD11 LEU A 49 1.151 1.244 7.144 1.00 2.08 H new ATOM 0 HD12 LEU A 49 1.568 0.266 8.571 1.00 2.08 H new ATOM 0 HD13 LEU A 49 2.601 0.211 7.123 1.00 2.08 H new ATOM 0 HD21 LEU A 49 0.219 0.208 5.138 1.00 1.53 H new ATOM 0 HD22 LEU A 49 1.577 -0.927 4.950 1.00 1.53 H new ATOM 0 HD23 LEU A 49 -0.088 -1.544 5.071 1.00 1.53 H new ATOM 298 N GLU A 50 4.503 -1.727 5.680 1.00 0.71 N ATOM 299 CA GLU A 50 5.701 -0.879 5.709 1.00 0.71 C ATOM 300 C GLU A 50 5.799 0.012 4.471 1.00 0.67 C ATOM 301 O GLU A 50 5.778 -0.462 3.335 1.00 0.75 O ATOM 302 CB GLU A 50 6.984 -1.697 5.797 1.00 0.77 C ATOM 303 CG GLU A 50 7.080 -2.597 7.036 1.00 0.85 C ATOM 304 CD GLU A 50 8.502 -3.076 7.360 1.00 1.27 C ATOM 305 OE1 GLU A 50 8.753 -3.379 8.550 1.00 1.91 O ATOM 306 OE2 GLU A 50 9.393 -3.146 6.477 1.00 2.20 O ATOM 0 H GLU A 50 4.267 -2.071 4.749 1.00 0.71 H new ATOM 0 HA GLU A 50 5.597 -0.264 6.603 1.00 0.71 H new ATOM 0 HB2 GLU A 50 7.066 -2.318 4.905 1.00 0.77 H new ATOM 0 HB3 GLU A 50 7.835 -1.016 5.791 1.00 0.77 H new ATOM 0 HG2 GLU A 50 6.687 -2.055 7.896 1.00 0.85 H new ATOM 0 HG3 GLU A 50 6.441 -3.467 6.889 1.00 0.85 H new ATOM 313 N LEU A 51 5.855 1.318 4.679 1.00 0.63 N ATOM 314 CA LEU A 51 5.704 2.313 3.613 1.00 0.59 C ATOM 315 C LEU A 51 6.462 3.635 3.848 1.00 0.64 C ATOM 316 O LEU A 51 6.804 3.977 4.982 1.00 0.75 O ATOM 317 CB LEU A 51 4.200 2.480 3.324 1.00 0.72 C ATOM 318 CG LEU A 51 3.403 3.384 4.260 1.00 0.86 C ATOM 319 CD1 LEU A 51 1.923 3.380 3.879 1.00 1.28 C ATOM 320 CD2 LEU A 51 3.513 3.016 5.734 1.00 0.91 C ATOM 0 H LEU A 51 6.008 1.728 5.600 1.00 0.63 H new ATOM 0 HA LEU A 51 6.199 1.941 2.716 1.00 0.59 H new ATOM 0 HB2 LEU A 51 4.092 2.866 2.310 1.00 0.72 H new ATOM 0 HB3 LEU A 51 3.742 1.491 3.339 1.00 0.72 H new ATOM 0 HG LEU A 51 3.845 4.373 4.136 1.00 0.86 H new ATOM 0 HD11 LEU A 51 1.371 4.030 4.558 1.00 1.28 H new ATOM 0 HD12 LEU A 51 1.809 3.742 2.857 1.00 1.28 H new ATOM 0 HD13 LEU A 51 1.532 2.365 3.950 1.00 1.28 H new ATOM 0 HD21 LEU A 51 2.917 3.709 6.327 1.00 0.91 H new ATOM 0 HD22 LEU A 51 3.146 2.001 5.884 1.00 0.91 H new ATOM 0 HD23 LEU A 51 4.555 3.075 6.047 1.00 0.91 H new ATOM 332 N ARG A 52 6.684 4.405 2.776 1.00 0.67 N ATOM 333 CA ARG A 52 7.301 5.742 2.794 1.00 0.70 C ATOM 334 C ARG A 52 6.901 6.513 1.535 1.00 0.77 C ATOM 335 O ARG A 52 6.684 5.920 0.480 1.00 0.80 O ATOM 336 CB ARG A 52 8.837 5.587 2.890 1.00 0.88 C ATOM 337 CG ARG A 52 9.628 6.896 3.059 1.00 1.58 C ATOM 338 CD ARG A 52 9.285 7.646 4.353 1.00 2.79 C ATOM 339 NE ARG A 52 10.041 8.904 4.469 1.00 3.55 N ATOM 340 CZ ARG A 52 9.586 10.128 4.680 1.00 4.88 C ATOM 341 NH1 ARG A 52 8.329 10.458 4.721 1.00 5.97 N ATOM 342 NH2 ARG A 52 10.423 11.098 4.867 1.00 5.52 N ATOM 0 H ARG A 52 6.430 4.105 1.835 1.00 0.67 H new ATOM 0 HA ARG A 52 6.951 6.306 3.659 1.00 0.70 H new ATOM 0 HB2 ARG A 52 9.066 4.934 3.732 1.00 0.88 H new ATOM 0 HB3 ARG A 52 9.190 5.084 1.990 1.00 0.88 H new ATOM 0 HG2 ARG A 52 10.695 6.672 3.048 1.00 1.58 H new ATOM 0 HG3 ARG A 52 9.430 7.546 2.207 1.00 1.58 H new ATOM 0 HD2 ARG A 52 8.216 7.860 4.378 1.00 2.79 H new ATOM 0 HD3 ARG A 52 9.503 7.010 5.211 1.00 2.79 H new ATOM 0 HE ARG A 52 11.053 8.820 4.374 1.00 3.55 H new ATOM 0 HH11 ARG A 52 7.610 9.747 4.585 1.00 5.97 H new ATOM 0 HH12 ARG A 52 8.062 11.428 4.890 1.00 5.97 H new ATOM 0 HH21 ARG A 52 11.426 10.916 4.851 1.00 5.52 H new ATOM 0 HH22 ARG A 52 10.079 12.044 5.030 1.00 5.52 H new ATOM 356 N ASN A 53 6.802 7.836 1.615 1.00 0.89 N ATOM 357 CA ASN A 53 6.511 8.668 0.451 1.00 0.96 C ATOM 358 C ASN A 53 7.783 9.049 -0.344 1.00 1.16 C ATOM 359 O ASN A 53 8.862 9.235 0.218 1.00 1.46 O ATOM 360 CB ASN A 53 5.529 9.786 0.843 1.00 1.11 C ATOM 361 CG ASN A 53 6.135 11.120 1.208 1.00 1.43 C ATOM 362 OD1 ASN A 53 6.961 11.658 0.486 1.00 2.14 O ATOM 363 ND2 ASN A 53 5.707 11.741 2.280 1.00 1.24 N ATOM 0 H ASN A 53 6.920 8.360 2.482 1.00 0.89 H new ATOM 0 HA ASN A 53 5.971 8.100 -0.307 1.00 0.96 H new ATOM 0 HB2 ASN A 53 4.840 9.941 0.013 1.00 1.11 H new ATOM 0 HB3 ASN A 53 4.936 9.438 1.689 1.00 1.11 H new ATOM 0 HD21 ASN A 53 6.063 12.669 2.508 1.00 1.24 H new ATOM 0 HD22 ASN A 53 5.018 11.296 2.886 1.00 1.24 H new ATOM 370 N GLU A 54 7.656 9.127 -1.670 1.00 1.14 N ATOM 371 CA GLU A 54 8.708 9.565 -2.609 1.00 1.34 C ATOM 372 C GLU A 54 8.671 11.092 -2.840 1.00 1.12 C ATOM 373 O GLU A 54 9.653 11.708 -3.257 1.00 1.19 O ATOM 374 CB GLU A 54 8.508 8.774 -3.916 1.00 1.57 C ATOM 375 CG GLU A 54 9.480 9.146 -5.042 1.00 2.06 C ATOM 376 CD GLU A 54 9.309 8.192 -6.225 1.00 2.97 C ATOM 377 OE1 GLU A 54 8.294 8.320 -6.950 1.00 4.07 O ATOM 378 OE2 GLU A 54 10.166 7.297 -6.422 1.00 3.55 O ATOM 0 H GLU A 54 6.788 8.879 -2.144 1.00 1.14 H new ATOM 0 HA GLU A 54 9.696 9.361 -2.196 1.00 1.34 H new ATOM 0 HB2 GLU A 54 8.611 7.710 -3.701 1.00 1.57 H new ATOM 0 HB3 GLU A 54 7.488 8.930 -4.268 1.00 1.57 H new ATOM 0 HG2 GLU A 54 9.300 10.172 -5.364 1.00 2.06 H new ATOM 0 HG3 GLU A 54 10.506 9.103 -4.676 1.00 2.06 H new ATOM 385 N SER A 55 7.526 11.707 -2.532 1.00 0.90 N ATOM 386 CA SER A 55 7.163 13.119 -2.698 1.00 0.74 C ATOM 387 C SER A 55 8.053 14.142 -1.961 1.00 0.84 C ATOM 388 O SER A 55 8.041 15.326 -2.305 1.00 0.98 O ATOM 389 CB SER A 55 5.698 13.194 -2.284 1.00 0.71 C ATOM 390 OG SER A 55 5.073 14.425 -2.601 1.00 1.87 O ATOM 0 H SER A 55 6.756 11.179 -2.121 1.00 0.90 H new ATOM 0 HA SER A 55 7.328 13.419 -3.733 1.00 0.74 H new ATOM 0 HB2 SER A 55 5.152 12.385 -2.769 1.00 0.71 H new ATOM 0 HB3 SER A 55 5.626 13.027 -1.209 1.00 0.71 H new ATOM 0 HG SER A 55 4.626 14.351 -3.470 1.00 1.87 H new ATOM 396 N GLY A 56 8.942 13.704 -1.062 1.00 1.03 N ATOM 397 CA GLY A 56 10.064 14.523 -0.561 1.00 1.25 C ATOM 398 C GLY A 56 11.112 14.856 -1.640 1.00 1.27 C ATOM 399 O GLY A 56 11.976 15.711 -1.430 1.00 1.51 O ATOM 0 H GLY A 56 8.908 12.769 -0.657 1.00 1.03 H new ATOM 0 HA2 GLY A 56 9.670 15.452 -0.150 1.00 1.25 H new ATOM 0 HA3 GLY A 56 10.552 13.994 0.257 1.00 1.25 H new ATOM 403 N GLY A 57 10.986 14.227 -2.815 1.00 1.18 N ATOM 404 CA GLY A 57 11.688 14.519 -4.067 1.00 1.34 C ATOM 405 C GLY A 57 11.047 15.588 -4.960 1.00 1.37 C ATOM 406 O GLY A 57 11.581 15.858 -6.036 1.00 2.32 O ATOM 0 H GLY A 57 10.342 13.443 -2.921 1.00 1.18 H new ATOM 0 HA2 GLY A 57 12.703 14.835 -3.827 1.00 1.34 H new ATOM 0 HA3 GLY A 57 11.769 13.595 -4.640 1.00 1.34 H new ATOM 410 N HIS A 58 9.924 16.188 -4.551 1.00 1.14 N ATOM 411 CA HIS A 58 9.195 17.208 -5.315 1.00 1.39 C ATOM 412 C HIS A 58 9.040 18.522 -4.538 1.00 1.68 C ATOM 413 O HIS A 58 8.996 18.543 -3.306 1.00 2.27 O ATOM 414 CB HIS A 58 7.817 16.675 -5.726 1.00 1.39 C ATOM 415 CG HIS A 58 7.863 15.610 -6.788 1.00 1.67 C ATOM 416 ND1 HIS A 58 7.697 15.824 -8.138 1.00 2.38 N ATOM 417 CD2 HIS A 58 8.076 14.270 -6.613 1.00 1.62 C ATOM 418 CE1 HIS A 58 7.796 14.646 -8.767 1.00 2.72 C ATOM 419 NE2 HIS A 58 8.022 13.665 -7.874 1.00 2.35 N ATOM 0 H HIS A 58 9.485 15.972 -3.656 1.00 1.14 H new ATOM 0 HA HIS A 58 9.785 17.426 -6.205 1.00 1.39 H new ATOM 0 HB2 HIS A 58 7.317 16.273 -4.845 1.00 1.39 H new ATOM 0 HB3 HIS A 58 7.210 17.506 -6.086 1.00 1.39 H new ATOM 0 HD1 HIS A 58 7.528 16.726 -8.583 1.00 2.38 H new ATOM 0 HD2 HIS A 58 8.254 13.770 -5.672 1.00 1.62 H new ATOM 0 HE1 HIS A 58 7.707 14.504 -9.834 1.00 2.72 H new ATOM 427 N ALA A 59 8.900 19.630 -5.266 1.00 2.07 N ATOM 428 CA ALA A 59 8.645 20.974 -4.744 1.00 2.40 C ATOM 429 C ALA A 59 7.157 21.226 -4.393 1.00 2.17 C ATOM 430 O ALA A 59 6.608 22.292 -4.688 1.00 2.57 O ATOM 431 CB ALA A 59 9.205 21.963 -5.769 1.00 2.94 C ATOM 0 H ALA A 59 8.964 19.615 -6.284 1.00 2.07 H new ATOM 0 HA ALA A 59 9.148 21.105 -3.786 1.00 2.40 H new ATOM 0 HB1 ALA A 59 9.037 22.982 -5.421 1.00 2.94 H new ATOM 0 HB2 ALA A 59 10.275 21.793 -5.892 1.00 2.94 H new ATOM 0 HB3 ALA A 59 8.703 21.819 -6.726 1.00 2.94 H new ATOM 437 N VAL A 60 6.483 20.245 -3.792 1.00 1.68 N ATOM 438 CA VAL A 60 5.041 20.269 -3.473 1.00 1.48 C ATOM 439 C VAL A 60 4.691 21.211 -2.301 1.00 1.63 C ATOM 440 O VAL A 60 5.548 21.466 -1.450 1.00 1.87 O ATOM 441 CB VAL A 60 4.524 18.841 -3.196 1.00 1.31 C ATOM 442 CG1 VAL A 60 4.432 18.037 -4.493 1.00 1.38 C ATOM 443 CG2 VAL A 60 5.390 18.055 -2.209 1.00 1.21 C ATOM 0 H VAL A 60 6.935 19.378 -3.501 1.00 1.68 H new ATOM 0 HA VAL A 60 4.537 20.672 -4.352 1.00 1.48 H new ATOM 0 HB VAL A 60 3.540 18.975 -2.748 1.00 1.31 H new ATOM 0 HG11 VAL A 60 4.066 17.034 -4.274 1.00 1.38 H new ATOM 0 HG12 VAL A 60 3.746 18.532 -5.180 1.00 1.38 H new ATOM 0 HG13 VAL A 60 5.419 17.971 -4.951 1.00 1.38 H new ATOM 0 HG21 VAL A 60 4.965 17.062 -2.063 1.00 1.21 H new ATOM 0 HG22 VAL A 60 6.401 17.963 -2.605 1.00 1.21 H new ATOM 0 HG23 VAL A 60 5.421 18.580 -1.254 1.00 1.21 H new ATOM 453 N PRO A 61 3.447 21.729 -2.207 1.00 1.64 N ATOM 454 CA PRO A 61 2.995 22.520 -1.056 1.00 1.90 C ATOM 455 C PRO A 61 3.002 21.705 0.256 1.00 2.04 C ATOM 456 O PRO A 61 2.903 20.474 0.213 1.00 1.85 O ATOM 457 CB PRO A 61 1.585 23.009 -1.412 1.00 1.99 C ATOM 458 CG PRO A 61 1.089 21.986 -2.431 1.00 2.16 C ATOM 459 CD PRO A 61 2.363 21.582 -3.170 1.00 1.59 C ATOM 0 HA PRO A 61 3.672 23.354 -0.870 1.00 1.90 H new ATOM 0 HB2 PRO A 61 0.940 23.043 -0.534 1.00 1.99 H new ATOM 0 HB3 PRO A 61 1.605 24.015 -1.832 1.00 1.99 H new ATOM 0 HG2 PRO A 61 0.617 21.132 -1.946 1.00 2.16 H new ATOM 0 HG3 PRO A 61 0.351 22.417 -3.107 1.00 2.16 H new ATOM 0 HD2 PRO A 61 2.297 20.555 -3.530 1.00 1.59 H new ATOM 0 HD3 PRO A 61 2.526 22.215 -4.042 1.00 1.59 H new ATOM 467 N PRO A 62 3.096 22.353 1.435 1.00 2.44 N ATOM 468 CA PRO A 62 3.117 21.666 2.729 1.00 2.69 C ATOM 469 C PRO A 62 1.814 20.891 2.987 1.00 2.69 C ATOM 470 O PRO A 62 0.715 21.399 2.747 1.00 2.75 O ATOM 471 CB PRO A 62 3.363 22.761 3.774 1.00 3.13 C ATOM 472 CG PRO A 62 2.834 24.028 3.100 1.00 3.22 C ATOM 473 CD PRO A 62 3.168 23.794 1.628 1.00 2.74 C ATOM 0 HA PRO A 62 3.900 20.908 2.767 1.00 2.69 H new ATOM 0 HB2 PRO A 62 2.836 22.552 4.705 1.00 3.13 H new ATOM 0 HB3 PRO A 62 4.421 22.850 4.020 1.00 3.13 H new ATOM 0 HG2 PRO A 62 1.762 24.152 3.257 1.00 3.22 H new ATOM 0 HG3 PRO A 62 3.319 24.924 3.487 1.00 3.22 H new ATOM 0 HD2 PRO A 62 2.462 24.312 0.979 1.00 2.74 H new ATOM 0 HD3 PRO A 62 4.161 24.173 1.386 1.00 2.74 H new ATOM 481 N GLY A 63 1.933 19.651 3.470 1.00 2.74 N ATOM 482 CA GLY A 63 0.810 18.720 3.657 1.00 2.81 C ATOM 483 C GLY A 63 0.353 17.981 2.388 1.00 2.37 C ATOM 484 O GLY A 63 -0.562 17.163 2.467 1.00 2.45 O ATOM 0 H GLY A 63 2.831 19.255 3.749 1.00 2.74 H new ATOM 0 HA2 GLY A 63 1.093 17.981 4.406 1.00 2.81 H new ATOM 0 HA3 GLY A 63 -0.037 19.275 4.060 1.00 2.81 H new ATOM 488 N SER A 64 0.982 18.227 1.231 1.00 1.98 N ATOM 489 CA SER A 64 0.797 17.434 0.008 1.00 1.57 C ATOM 490 C SER A 64 1.847 16.321 -0.079 1.00 1.09 C ATOM 491 O SER A 64 3.057 16.563 -0.022 1.00 1.15 O ATOM 492 CB SER A 64 0.815 18.333 -1.233 1.00 1.60 C ATOM 493 OG SER A 64 0.546 17.574 -2.398 1.00 2.15 O ATOM 0 H SER A 64 1.644 18.994 1.117 1.00 1.98 H new ATOM 0 HA SER A 64 -0.183 16.958 0.049 1.00 1.57 H new ATOM 0 HB2 SER A 64 0.072 19.124 -1.127 1.00 1.60 H new ATOM 0 HB3 SER A 64 1.787 18.818 -1.324 1.00 1.60 H new ATOM 0 HG SER A 64 0.559 18.162 -3.182 1.00 2.15 H new ATOM 499 N GLU A 65 1.384 15.084 -0.230 1.00 1.00 N ATOM 500 CA GLU A 65 2.186 13.868 -0.379 1.00 0.92 C ATOM 501 C GLU A 65 1.761 13.147 -1.669 1.00 0.94 C ATOM 502 O GLU A 65 1.118 12.102 -1.661 1.00 1.30 O ATOM 503 CB GLU A 65 2.068 12.987 0.873 1.00 1.36 C ATOM 504 CG GLU A 65 2.775 13.584 2.100 1.00 1.45 C ATOM 505 CD GLU A 65 1.936 14.574 2.924 1.00 1.84 C ATOM 506 OE1 GLU A 65 0.821 14.207 3.373 1.00 2.04 O ATOM 507 OE2 GLU A 65 2.458 15.651 3.290 1.00 3.26 O ATOM 0 H GLU A 65 0.383 14.889 -0.253 1.00 1.00 H new ATOM 0 HA GLU A 65 3.243 14.117 -0.471 1.00 0.92 H new ATOM 0 HB2 GLU A 65 1.014 12.837 1.106 1.00 1.36 H new ATOM 0 HB3 GLU A 65 2.490 12.005 0.660 1.00 1.36 H new ATOM 0 HG2 GLU A 65 3.088 12.768 2.751 1.00 1.45 H new ATOM 0 HG3 GLU A 65 3.681 14.090 1.766 1.00 1.45 H new ATOM 514 N THR A 66 2.112 13.740 -2.812 1.00 0.77 N ATOM 515 CA THR A 66 1.637 13.357 -4.153 1.00 0.84 C ATOM 516 C THR A 66 2.059 11.954 -4.570 1.00 0.80 C ATOM 517 O THR A 66 1.450 11.366 -5.457 1.00 0.91 O ATOM 518 CB THR A 66 2.219 14.311 -5.212 1.00 0.92 C ATOM 519 OG1 THR A 66 3.630 14.367 -5.075 1.00 1.17 O ATOM 520 CG2 THR A 66 1.709 15.741 -5.067 1.00 0.99 C ATOM 0 H THR A 66 2.758 14.529 -2.835 1.00 0.77 H new ATOM 0 HA THR A 66 0.549 13.403 -4.096 1.00 0.84 H new ATOM 0 HB THR A 66 1.909 13.918 -6.180 1.00 0.92 H new ATOM 0 HG1 THR A 66 4.000 14.973 -5.750 1.00 1.17 H new ATOM 0 HG21 THR A 66 2.154 16.366 -5.841 1.00 0.99 H new ATOM 0 HG22 THR A 66 0.624 15.753 -5.171 1.00 0.99 H new ATOM 0 HG23 THR A 66 1.984 16.128 -4.086 1.00 0.99 H new ATOM 528 N HIS A 67 3.125 11.440 -3.968 1.00 0.72 N ATOM 529 CA HIS A 67 3.981 10.397 -4.531 1.00 0.72 C ATOM 530 C HIS A 67 4.360 9.383 -3.443 1.00 0.67 C ATOM 531 O HIS A 67 4.975 9.780 -2.450 1.00 0.74 O ATOM 532 CB HIS A 67 5.228 11.113 -5.086 1.00 0.79 C ATOM 533 CG HIS A 67 5.411 11.034 -6.568 1.00 0.98 C ATOM 534 ND1 HIS A 67 4.474 11.454 -7.459 1.00 1.29 N flip ATOM 535 CD2 HIS A 67 6.552 10.745 -7.277 1.00 1.00 C flip ATOM 536 CE1 HIS A 67 5.037 11.428 -8.742 1.00 1.46 C flip ATOM 537 NE2 HIS A 67 6.302 11.005 -8.570 1.00 1.28 N flip ATOM 0 H HIS A 67 3.429 11.746 -3.044 1.00 0.72 H new ATOM 0 HA HIS A 67 3.475 9.841 -5.320 1.00 0.72 H new ATOM 0 HB2 HIS A 67 5.180 12.163 -4.799 1.00 0.79 H new ATOM 0 HB3 HIS A 67 6.111 10.692 -4.606 1.00 0.79 H new ATOM 0 HD2 HIS A 67 7.481 10.376 -6.868 1.00 1.00 H new ATOM 0 HE1 HIS A 67 4.556 11.692 -9.673 1.00 1.46 H new ATOM 0 HE2 HIS A 67 6.982 10.896 -9.323 1.00 1.28 H new ATOM 545 N PHE A 68 4.039 8.094 -3.611 1.00 0.61 N ATOM 546 CA PHE A 68 4.025 7.142 -2.477 1.00 0.58 C ATOM 547 C PHE A 68 4.498 5.710 -2.800 1.00 0.55 C ATOM 548 O PHE A 68 4.269 5.184 -3.892 1.00 0.61 O ATOM 549 CB PHE A 68 2.635 7.194 -1.797 1.00 0.64 C ATOM 550 CG PHE A 68 2.649 7.465 -0.298 1.00 1.19 C ATOM 551 CD1 PHE A 68 2.871 6.445 0.656 1.00 1.55 C ATOM 552 CD2 PHE A 68 2.410 8.781 0.144 1.00 2.89 C ATOM 553 CE1 PHE A 68 2.827 6.747 2.036 1.00 1.94 C ATOM 554 CE2 PHE A 68 2.342 9.073 1.512 1.00 3.58 C ATOM 555 CZ PHE A 68 2.553 8.059 2.454 1.00 2.70 C ATOM 0 H PHE A 68 3.787 7.683 -4.510 1.00 0.61 H new ATOM 0 HA PHE A 68 4.789 7.473 -1.773 1.00 0.58 H new ATOM 0 HB2 PHE A 68 2.041 7.968 -2.283 1.00 0.64 H new ATOM 0 HB3 PHE A 68 2.128 6.245 -1.973 1.00 0.64 H new ATOM 0 HD1 PHE A 68 3.074 5.436 0.330 1.00 1.55 H new ATOM 0 HD2 PHE A 68 2.278 9.572 -0.579 1.00 2.89 H new ATOM 0 HE1 PHE A 68 3.004 5.971 2.766 1.00 1.94 H new ATOM 0 HE2 PHE A 68 2.127 10.079 1.840 1.00 3.58 H new ATOM 0 HZ PHE A 68 2.505 8.287 3.508 1.00 2.70 H new ATOM 565 N ARG A 69 5.173 5.055 -1.843 1.00 0.60 N ATOM 566 CA ARG A 69 5.719 3.693 -1.980 1.00 0.63 C ATOM 567 C ARG A 69 5.294 2.817 -0.800 1.00 0.63 C ATOM 568 O ARG A 69 5.488 3.207 0.350 1.00 0.68 O ATOM 569 CB ARG A 69 7.255 3.774 -2.132 1.00 0.71 C ATOM 570 CG ARG A 69 7.870 2.504 -2.744 1.00 1.08 C ATOM 571 CD ARG A 69 7.537 2.378 -4.238 1.00 1.34 C ATOM 572 NE ARG A 69 8.640 2.826 -5.116 1.00 2.41 N ATOM 573 CZ ARG A 69 9.195 2.146 -6.102 1.00 3.26 C ATOM 574 NH1 ARG A 69 9.034 0.865 -6.244 1.00 3.60 N ATOM 575 NH2 ARG A 69 9.933 2.735 -6.993 1.00 4.49 N ATOM 0 H ARG A 69 5.360 5.467 -0.929 1.00 0.60 H new ATOM 0 HA ARG A 69 5.315 3.221 -2.875 1.00 0.63 H new ATOM 0 HB2 ARG A 69 7.507 4.630 -2.758 1.00 0.71 H new ATOM 0 HB3 ARG A 69 7.702 3.951 -1.154 1.00 0.71 H new ATOM 0 HG2 ARG A 69 8.952 2.523 -2.612 1.00 1.08 H new ATOM 0 HG3 ARG A 69 7.499 1.627 -2.213 1.00 1.08 H new ATOM 0 HD2 ARG A 69 7.299 1.339 -4.465 1.00 1.34 H new ATOM 0 HD3 ARG A 69 6.645 2.965 -4.456 1.00 1.34 H new ATOM 0 HE ARG A 69 9.011 3.760 -4.941 1.00 2.41 H new ATOM 0 HH11 ARG A 69 8.461 0.346 -5.579 1.00 3.60 H new ATOM 0 HH12 ARG A 69 9.481 0.378 -7.021 1.00 3.60 H new ATOM 0 HH21 ARG A 69 10.093 3.741 -6.939 1.00 4.49 H new ATOM 0 HH22 ARG A 69 10.353 2.192 -7.747 1.00 4.49 H new ATOM 589 N VAL A 70 4.678 1.658 -1.060 1.00 0.62 N ATOM 590 CA VAL A 70 4.034 0.830 -0.011 1.00 0.59 C ATOM 591 C VAL A 70 4.409 -0.651 -0.092 1.00 0.52 C ATOM 592 O VAL A 70 4.578 -1.203 -1.179 1.00 0.54 O ATOM 593 CB VAL A 70 2.493 0.982 -0.033 1.00 0.75 C ATOM 594 CG1 VAL A 70 1.816 0.232 1.132 1.00 0.87 C ATOM 595 CG2 VAL A 70 2.059 2.456 0.001 1.00 0.82 C ATOM 0 H VAL A 70 4.607 1.261 -1.997 1.00 0.62 H new ATOM 0 HA VAL A 70 4.420 1.211 0.935 1.00 0.59 H new ATOM 0 HB VAL A 70 2.168 0.537 -0.973 1.00 0.75 H new ATOM 0 HG11 VAL A 70 0.736 0.368 1.074 1.00 0.87 H new ATOM 0 HG12 VAL A 70 2.052 -0.830 1.067 1.00 0.87 H new ATOM 0 HG13 VAL A 70 2.181 0.627 2.080 1.00 0.87 H new ATOM 0 HG21 VAL A 70 0.971 2.515 -0.016 1.00 0.82 H new ATOM 0 HG22 VAL A 70 2.434 2.925 0.911 1.00 0.82 H new ATOM 0 HG23 VAL A 70 2.464 2.975 -0.868 1.00 0.82 H new ATOM 605 N ALA A 71 4.468 -1.310 1.065 1.00 0.63 N ATOM 606 CA ALA A 71 4.394 -2.768 1.199 1.00 0.73 C ATOM 607 C ALA A 71 3.200 -3.147 2.088 1.00 0.83 C ATOM 608 O ALA A 71 3.064 -2.629 3.201 1.00 0.86 O ATOM 609 CB ALA A 71 5.714 -3.329 1.746 1.00 0.81 C ATOM 0 H ALA A 71 4.571 -0.833 1.961 1.00 0.63 H new ATOM 0 HA ALA A 71 4.239 -3.213 0.216 1.00 0.73 H new ATOM 0 HB1 ALA A 71 5.638 -4.412 1.838 1.00 0.81 H new ATOM 0 HB2 ALA A 71 6.526 -3.079 1.064 1.00 0.81 H new ATOM 0 HB3 ALA A 71 5.916 -2.895 2.725 1.00 0.81 H new ATOM 615 N VAL A 72 2.340 -4.043 1.591 1.00 0.91 N ATOM 616 CA VAL A 72 1.119 -4.519 2.263 1.00 0.97 C ATOM 617 C VAL A 72 1.062 -6.042 2.227 1.00 1.04 C ATOM 618 O VAL A 72 1.065 -6.657 1.158 1.00 1.24 O ATOM 619 CB VAL A 72 -0.181 -3.939 1.655 1.00 1.00 C ATOM 620 CG1 VAL A 72 -0.551 -2.615 2.326 1.00 1.84 C ATOM 621 CG2 VAL A 72 -0.151 -3.736 0.132 1.00 1.85 C ATOM 0 H VAL A 72 2.477 -4.474 0.677 1.00 0.91 H new ATOM 0 HA VAL A 72 1.176 -4.164 3.292 1.00 0.97 H new ATOM 0 HB VAL A 72 -0.936 -4.701 1.850 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -1.468 -2.226 1.883 1.00 1.84 H new ATOM 0 HG12 VAL A 72 -0.705 -2.778 3.393 1.00 1.84 H new ATOM 0 HG13 VAL A 72 0.255 -1.896 2.181 1.00 1.84 H new ATOM 0 HG21 VAL A 72 -1.105 -3.326 -0.199 1.00 1.85 H new ATOM 0 HG22 VAL A 72 0.650 -3.044 -0.127 1.00 1.85 H new ATOM 0 HG23 VAL A 72 0.023 -4.693 -0.359 1.00 1.85 H new ATOM 631 N VAL A 73 1.005 -6.670 3.399 1.00 0.88 N ATOM 632 CA VAL A 73 1.133 -8.123 3.525 1.00 0.82 C ATOM 633 C VAL A 73 -0.048 -8.698 4.317 1.00 0.77 C ATOM 634 O VAL A 73 -0.344 -8.250 5.432 1.00 0.77 O ATOM 635 CB VAL A 73 2.446 -8.427 4.227 1.00 0.94 C ATOM 636 CG1 VAL A 73 2.770 -9.920 4.265 1.00 1.20 C ATOM 637 CG2 VAL A 73 3.641 -7.608 3.708 1.00 1.80 C ATOM 0 H VAL A 73 0.869 -6.189 4.288 1.00 0.88 H new ATOM 0 HA VAL A 73 1.126 -8.585 2.538 1.00 0.82 H new ATOM 0 HB VAL A 73 2.281 -8.102 5.254 1.00 0.94 H new ATOM 0 HG11 VAL A 73 3.719 -10.073 4.779 1.00 1.20 H new ATOM 0 HG12 VAL A 73 1.980 -10.450 4.796 1.00 1.20 H new ATOM 0 HG13 VAL A 73 2.843 -10.303 3.247 1.00 1.20 H new ATOM 0 HG21 VAL A 73 4.539 -7.884 4.261 1.00 1.80 H new ATOM 0 HG22 VAL A 73 3.790 -7.813 2.648 1.00 1.80 H new ATOM 0 HG23 VAL A 73 3.442 -6.545 3.847 1.00 1.80 H new ATOM 647 N SER A 74 -0.733 -9.689 3.747 1.00 0.78 N ATOM 648 CA SER A 74 -1.970 -10.261 4.305 1.00 0.77 C ATOM 649 C SER A 74 -2.250 -11.657 3.749 1.00 0.83 C ATOM 650 O SER A 74 -1.924 -11.949 2.597 1.00 0.85 O ATOM 651 CB SER A 74 -3.143 -9.337 3.949 1.00 0.78 C ATOM 652 OG SER A 74 -4.403 -9.901 4.268 1.00 0.88 O ATOM 0 H SER A 74 -0.445 -10.127 2.872 1.00 0.78 H new ATOM 0 HA SER A 74 -1.851 -10.346 5.385 1.00 0.77 H new ATOM 0 HB2 SER A 74 -3.029 -8.392 4.479 1.00 0.78 H new ATOM 0 HB3 SER A 74 -3.111 -9.111 2.883 1.00 0.78 H new ATOM 0 HG SER A 74 -5.036 -9.185 4.487 1.00 0.88 H new ATOM 658 N SER A 75 -2.948 -12.491 4.527 1.00 0.94 N ATOM 659 CA SER A 75 -3.521 -13.752 4.034 1.00 1.12 C ATOM 660 C SER A 75 -4.504 -13.566 2.870 1.00 1.18 C ATOM 661 O SER A 75 -4.752 -14.511 2.127 1.00 1.37 O ATOM 662 CB SER A 75 -4.224 -14.512 5.165 1.00 1.35 C ATOM 663 OG SER A 75 -3.323 -14.824 6.212 1.00 1.53 O ATOM 0 H SER A 75 -3.132 -12.313 5.514 1.00 0.94 H new ATOM 0 HA SER A 75 -2.675 -14.328 3.659 1.00 1.12 H new ATOM 0 HB2 SER A 75 -5.045 -13.910 5.556 1.00 1.35 H new ATOM 0 HB3 SER A 75 -4.661 -15.430 4.772 1.00 1.35 H new ATOM 0 HG SER A 75 -3.799 -15.307 6.920 1.00 1.53 H new ATOM 669 N ARG A 76 -5.021 -12.351 2.639 1.00 1.11 N ATOM 670 CA ARG A 76 -5.857 -12.013 1.474 1.00 1.22 C ATOM 671 C ARG A 76 -5.151 -12.235 0.129 1.00 1.06 C ATOM 672 O ARG A 76 -5.819 -12.432 -0.884 1.00 1.18 O ATOM 673 CB ARG A 76 -6.337 -10.562 1.623 1.00 1.36 C ATOM 674 CG ARG A 76 -7.456 -10.225 0.623 1.00 2.79 C ATOM 675 CD ARG A 76 -8.267 -9.031 1.137 1.00 2.94 C ATOM 676 NE ARG A 76 -9.443 -8.745 0.301 1.00 4.40 N ATOM 677 CZ ARG A 76 -10.567 -9.434 0.239 1.00 4.90 C ATOM 678 NH1 ARG A 76 -10.795 -10.527 0.909 1.00 4.54 N ATOM 679 NH2 ARG A 76 -11.512 -8.995 -0.532 1.00 6.33 N ATOM 0 H ARG A 76 -4.869 -11.561 3.266 1.00 1.11 H new ATOM 0 HA ARG A 76 -6.709 -12.693 1.460 1.00 1.22 H new ATOM 0 HB2 ARG A 76 -6.697 -10.401 2.639 1.00 1.36 H new ATOM 0 HB3 ARG A 76 -5.497 -9.884 1.471 1.00 1.36 H new ATOM 0 HG2 ARG A 76 -7.028 -9.993 -0.352 1.00 2.79 H new ATOM 0 HG3 ARG A 76 -8.108 -11.088 0.488 1.00 2.79 H new ATOM 0 HD2 ARG A 76 -8.591 -9.229 2.159 1.00 2.94 H new ATOM 0 HD3 ARG A 76 -7.627 -8.149 1.171 1.00 2.94 H new ATOM 0 HE ARG A 76 -9.383 -7.922 -0.298 1.00 4.40 H new ATOM 0 HH11 ARG A 76 -10.079 -10.902 1.531 1.00 4.54 H new ATOM 0 HH12 ARG A 76 -11.689 -11.008 0.811 1.00 4.54 H new ATOM 0 HH21 ARG A 76 -11.375 -8.139 -1.070 1.00 6.33 H new ATOM 0 HH22 ARG A 76 -12.392 -9.506 -0.601 1.00 6.33 H new ATOM 693 N PHE A 77 -3.818 -12.231 0.111 1.00 0.86 N ATOM 694 CA PHE A 77 -2.995 -12.320 -1.088 1.00 0.80 C ATOM 695 C PHE A 77 -2.394 -13.721 -1.330 1.00 0.76 C ATOM 696 O PHE A 77 -1.467 -13.844 -2.132 1.00 0.87 O ATOM 697 CB PHE A 77 -1.935 -11.212 -0.991 1.00 0.75 C ATOM 698 CG PHE A 77 -2.477 -9.792 -0.874 1.00 0.92 C ATOM 699 CD1 PHE A 77 -3.433 -9.310 -1.792 1.00 2.73 C ATOM 700 CD2 PHE A 77 -2.007 -8.938 0.144 1.00 1.69 C ATOM 701 CE1 PHE A 77 -3.912 -7.991 -1.689 1.00 3.02 C ATOM 702 CE2 PHE A 77 -2.484 -7.619 0.246 1.00 1.59 C ATOM 703 CZ PHE A 77 -3.435 -7.145 -0.672 1.00 1.46 C ATOM 0 H PHE A 77 -3.264 -12.163 0.965 1.00 0.86 H new ATOM 0 HA PHE A 77 -3.617 -12.168 -1.970 1.00 0.80 H new ATOM 0 HB2 PHE A 77 -1.303 -11.413 -0.126 1.00 0.75 H new ATOM 0 HB3 PHE A 77 -1.296 -11.267 -1.872 1.00 0.75 H new ATOM 0 HD1 PHE A 77 -3.799 -9.956 -2.577 1.00 2.73 H new ATOM 0 HD2 PHE A 77 -1.275 -9.299 0.851 1.00 1.69 H new ATOM 0 HE1 PHE A 77 -4.647 -7.628 -2.392 1.00 3.02 H new ATOM 0 HE2 PHE A 77 -2.119 -6.971 1.030 1.00 1.59 H new ATOM 0 HZ PHE A 77 -3.800 -6.131 -0.597 1.00 1.46 H new ATOM 713 N GLU A 78 -2.868 -14.764 -0.637 1.00 0.79 N ATOM 714 CA GLU A 78 -2.417 -16.146 -0.805 1.00 0.88 C ATOM 715 C GLU A 78 -3.090 -16.940 -1.942 1.00 1.03 C ATOM 716 O GLU A 78 -4.227 -16.671 -2.333 1.00 1.21 O ATOM 717 CB GLU A 78 -2.457 -16.873 0.549 1.00 1.10 C ATOM 718 CG GLU A 78 -3.804 -17.500 0.945 1.00 1.36 C ATOM 719 CD GLU A 78 -3.719 -18.285 2.264 1.00 1.57 C ATOM 720 OE1 GLU A 78 -4.473 -19.276 2.421 1.00 2.63 O ATOM 721 OE2 GLU A 78 -2.875 -17.986 3.144 1.00 1.80 O ATOM 0 H GLU A 78 -3.594 -14.665 0.073 1.00 0.79 H new ATOM 0 HA GLU A 78 -1.385 -16.088 -1.150 1.00 0.88 H new ATOM 0 HB2 GLU A 78 -1.703 -17.660 0.537 1.00 1.10 H new ATOM 0 HB3 GLU A 78 -2.167 -16.166 1.326 1.00 1.10 H new ATOM 0 HG2 GLU A 78 -4.553 -16.714 1.040 1.00 1.36 H new ATOM 0 HG3 GLU A 78 -4.140 -18.166 0.150 1.00 1.36 H new ATOM 728 N GLY A 79 -2.391 -17.961 -2.446 1.00 1.29 N ATOM 729 CA GLY A 79 -2.933 -19.008 -3.325 1.00 1.63 C ATOM 730 C GLY A 79 -3.174 -18.630 -4.793 1.00 1.62 C ATOM 731 O GLY A 79 -3.559 -19.491 -5.587 1.00 2.25 O ATOM 0 H GLY A 79 -1.398 -18.088 -2.248 1.00 1.29 H new ATOM 0 HA2 GLY A 79 -2.250 -19.857 -3.302 1.00 1.63 H new ATOM 0 HA3 GLY A 79 -3.879 -19.348 -2.903 1.00 1.63 H new ATOM 735 N LEU A 80 -2.923 -17.377 -5.170 1.00 1.15 N ATOM 736 CA LEU A 80 -3.005 -16.805 -6.512 1.00 1.35 C ATOM 737 C LEU A 80 -1.633 -16.305 -7.016 1.00 1.16 C ATOM 738 O LEU A 80 -0.657 -16.230 -6.261 1.00 1.12 O ATOM 739 CB LEU A 80 -4.087 -15.706 -6.504 1.00 1.59 C ATOM 740 CG LEU A 80 -4.181 -14.754 -5.323 1.00 1.20 C ATOM 741 CD1 LEU A 80 -2.850 -14.174 -4.864 1.00 1.81 C ATOM 742 CD2 LEU A 80 -5.118 -13.581 -5.603 1.00 1.44 C ATOM 0 H LEU A 80 -2.633 -16.678 -4.486 1.00 1.15 H new ATOM 0 HA LEU A 80 -3.295 -17.576 -7.226 1.00 1.35 H new ATOM 0 HB2 LEU A 80 -3.944 -15.101 -7.400 1.00 1.59 H new ATOM 0 HB3 LEU A 80 -5.054 -16.199 -6.603 1.00 1.59 H new ATOM 0 HG LEU A 80 -4.571 -15.386 -4.526 1.00 1.20 H new ATOM 0 HD11 LEU A 80 -3.016 -13.507 -4.018 1.00 1.81 H new ATOM 0 HD12 LEU A 80 -2.185 -14.983 -4.563 1.00 1.81 H new ATOM 0 HD13 LEU A 80 -2.395 -13.616 -5.682 1.00 1.81 H new ATOM 0 HD21 LEU A 80 -5.154 -12.928 -4.731 1.00 1.44 H new ATOM 0 HD22 LEU A 80 -4.751 -13.020 -6.462 1.00 1.44 H new ATOM 0 HD23 LEU A 80 -6.119 -13.957 -5.815 1.00 1.44 H new ATOM 754 N SER A 81 -1.557 -15.958 -8.300 1.00 1.18 N ATOM 755 CA SER A 81 -0.390 -15.361 -8.965 1.00 1.17 C ATOM 756 C SER A 81 0.014 -13.999 -8.357 1.00 1.20 C ATOM 757 O SER A 81 -0.871 -13.227 -7.959 1.00 1.15 O ATOM 758 CB SER A 81 -0.730 -15.215 -10.455 1.00 1.14 C ATOM 759 OG SER A 81 0.237 -14.470 -11.169 1.00 1.59 O ATOM 0 H SER A 81 -2.342 -16.090 -8.938 1.00 1.18 H new ATOM 0 HA SER A 81 0.472 -16.013 -8.823 1.00 1.17 H new ATOM 0 HB2 SER A 81 -0.820 -16.206 -10.901 1.00 1.14 H new ATOM 0 HB3 SER A 81 -1.701 -14.731 -10.555 1.00 1.14 H new ATOM 0 HG SER A 81 -0.027 -14.409 -12.111 1.00 1.59 H new ATOM 765 N PRO A 82 1.318 -13.636 -8.321 1.00 1.35 N ATOM 766 CA PRO A 82 1.774 -12.303 -7.903 1.00 1.40 C ATOM 767 C PRO A 82 1.111 -11.179 -8.718 1.00 1.33 C ATOM 768 O PRO A 82 0.633 -10.188 -8.151 1.00 1.28 O ATOM 769 CB PRO A 82 3.302 -12.313 -8.059 1.00 1.59 C ATOM 770 CG PRO A 82 3.574 -13.437 -9.058 1.00 1.80 C ATOM 771 CD PRO A 82 2.459 -14.436 -8.755 1.00 1.49 C ATOM 0 HA PRO A 82 1.488 -12.097 -6.871 1.00 1.40 H new ATOM 0 HB2 PRO A 82 3.670 -11.356 -8.428 1.00 1.59 H new ATOM 0 HB3 PRO A 82 3.798 -12.499 -7.106 1.00 1.59 H new ATOM 0 HG2 PRO A 82 3.530 -13.082 -10.088 1.00 1.80 H new ATOM 0 HG3 PRO A 82 4.561 -13.876 -8.914 1.00 1.80 H new ATOM 0 HD2 PRO A 82 2.211 -15.025 -9.638 1.00 1.49 H new ATOM 0 HD3 PRO A 82 2.763 -15.138 -7.978 1.00 1.49 H new ATOM 779 N LEU A 83 0.967 -11.378 -10.034 1.00 1.37 N ATOM 780 CA LEU A 83 0.253 -10.450 -10.915 1.00 1.38 C ATOM 781 C LEU A 83 -1.205 -10.288 -10.468 1.00 1.26 C ATOM 782 O LEU A 83 -1.719 -9.173 -10.500 1.00 1.22 O ATOM 783 CB LEU A 83 0.303 -10.939 -12.376 1.00 1.61 C ATOM 784 CG LEU A 83 1.609 -10.639 -13.134 1.00 2.63 C ATOM 785 CD1 LEU A 83 2.819 -11.387 -12.571 1.00 4.38 C ATOM 786 CD2 LEU A 83 1.444 -11.045 -14.598 1.00 3.37 C ATOM 0 H LEU A 83 1.345 -12.192 -10.519 1.00 1.37 H new ATOM 0 HA LEU A 83 0.747 -9.481 -10.852 1.00 1.38 H new ATOM 0 HB2 LEU A 83 0.138 -12.016 -12.385 1.00 1.61 H new ATOM 0 HB3 LEU A 83 -0.525 -10.485 -12.921 1.00 1.61 H new ATOM 0 HG LEU A 83 1.795 -9.571 -13.024 1.00 2.63 H new ATOM 0 HD11 LEU A 83 3.706 -11.131 -13.150 1.00 4.38 H new ATOM 0 HD12 LEU A 83 2.971 -11.102 -11.530 1.00 4.38 H new ATOM 0 HD13 LEU A 83 2.643 -12.461 -12.632 1.00 4.38 H new ATOM 0 HD21 LEU A 83 2.366 -10.835 -15.140 1.00 3.37 H new ATOM 0 HD22 LEU A 83 1.223 -12.111 -14.657 1.00 3.37 H new ATOM 0 HD23 LEU A 83 0.625 -10.479 -15.042 1.00 3.37 H new ATOM 798 N GLN A 84 -1.850 -11.363 -9.999 1.00 1.28 N ATOM 799 CA GLN A 84 -3.254 -11.349 -9.587 1.00 1.24 C ATOM 800 C GLN A 84 -3.483 -10.722 -8.201 1.00 1.35 C ATOM 801 O GLN A 84 -4.476 -10.016 -8.033 1.00 1.49 O ATOM 802 CB GLN A 84 -3.854 -12.756 -9.711 1.00 1.09 C ATOM 803 CG GLN A 84 -5.379 -12.721 -9.520 1.00 0.89 C ATOM 804 CD GLN A 84 -6.069 -13.850 -10.263 1.00 1.27 C ATOM 805 OE1 GLN A 84 -6.395 -13.717 -11.434 1.00 2.67 O ATOM 806 NE2 GLN A 84 -6.267 -14.999 -9.661 1.00 1.15 N ATOM 0 H GLN A 84 -1.405 -12.275 -9.895 1.00 1.28 H new ATOM 0 HA GLN A 84 -3.787 -10.690 -10.272 1.00 1.24 H new ATOM 0 HB2 GLN A 84 -3.616 -13.172 -10.690 1.00 1.09 H new ATOM 0 HB3 GLN A 84 -3.405 -13.414 -8.967 1.00 1.09 H new ATOM 0 HG2 GLN A 84 -5.613 -12.789 -8.458 1.00 0.89 H new ATOM 0 HG3 GLN A 84 -5.767 -11.765 -9.871 1.00 0.89 H new ATOM 0 HE21 GLN A 84 -5.997 -15.116 -8.684 1.00 1.15 H new ATOM 0 HE22 GLN A 84 -6.691 -15.775 -10.170 1.00 1.15 H new ATOM 815 N ARG A 85 -2.573 -10.873 -7.223 1.00 1.31 N ATOM 816 CA ARG A 85 -2.646 -10.063 -5.978 1.00 1.31 C ATOM 817 C ARG A 85 -2.398 -8.572 -6.246 1.00 1.25 C ATOM 818 O ARG A 85 -3.104 -7.726 -5.696 1.00 1.30 O ATOM 819 CB ARG A 85 -1.745 -10.599 -4.846 1.00 1.38 C ATOM 820 CG ARG A 85 -0.305 -10.870 -5.281 1.00 1.77 C ATOM 821 CD ARG A 85 0.668 -11.144 -4.131 1.00 2.77 C ATOM 822 NE ARG A 85 0.665 -12.535 -3.635 1.00 3.90 N ATOM 823 CZ ARG A 85 1.690 -13.139 -3.056 1.00 5.23 C ATOM 824 NH1 ARG A 85 2.858 -12.586 -2.921 1.00 5.96 N ATOM 825 NH2 ARG A 85 1.571 -14.337 -2.576 1.00 6.47 N ATOM 0 H ARG A 85 -1.793 -11.530 -7.260 1.00 1.31 H new ATOM 0 HA ARG A 85 -3.670 -10.165 -5.620 1.00 1.31 H new ATOM 0 HB2 ARG A 85 -1.738 -9.879 -4.028 1.00 1.38 H new ATOM 0 HB3 ARG A 85 -2.177 -11.521 -4.456 1.00 1.38 H new ATOM 0 HG2 ARG A 85 -0.298 -11.725 -5.957 1.00 1.77 H new ATOM 0 HG3 ARG A 85 0.056 -10.013 -5.849 1.00 1.77 H new ATOM 0 HD2 ARG A 85 1.676 -10.892 -4.459 1.00 2.77 H new ATOM 0 HD3 ARG A 85 0.427 -10.477 -3.303 1.00 2.77 H new ATOM 0 HE ARG A 85 -0.195 -13.072 -3.748 1.00 3.90 H new ATOM 0 HH11 ARG A 85 3.018 -11.641 -3.270 1.00 5.96 H new ATOM 0 HH12 ARG A 85 3.615 -13.097 -2.466 1.00 5.96 H new ATOM 0 HH21 ARG A 85 0.679 -14.827 -2.642 1.00 6.47 H new ATOM 0 HH22 ARG A 85 2.370 -14.790 -2.132 1.00 6.47 H new ATOM 839 N HIS A 86 -1.463 -8.238 -7.140 1.00 1.15 N ATOM 840 CA HIS A 86 -1.272 -6.854 -7.584 1.00 1.08 C ATOM 841 C HIS A 86 -2.516 -6.310 -8.323 1.00 1.14 C ATOM 842 O HIS A 86 -3.008 -5.246 -7.954 1.00 1.13 O ATOM 843 CB HIS A 86 0.031 -6.781 -8.391 1.00 1.11 C ATOM 844 CG HIS A 86 1.251 -6.559 -7.525 1.00 1.08 C ATOM 845 ND1 HIS A 86 2.209 -5.592 -7.708 1.00 1.00 N ATOM 846 CD2 HIS A 86 1.623 -7.271 -6.417 1.00 1.20 C ATOM 847 CE1 HIS A 86 3.132 -5.714 -6.739 1.00 0.99 C ATOM 848 NE2 HIS A 86 2.805 -6.721 -5.906 1.00 1.11 N ATOM 0 H HIS A 86 -0.826 -8.908 -7.571 1.00 1.15 H new ATOM 0 HA HIS A 86 -1.167 -6.188 -6.727 1.00 1.08 H new ATOM 0 HB2 HIS A 86 0.155 -7.706 -8.954 1.00 1.11 H new ATOM 0 HB3 HIS A 86 -0.043 -5.973 -9.118 1.00 1.11 H new ATOM 0 HD1 HIS A 86 2.218 -4.897 -8.455 1.00 1.00 H new ATOM 0 HD2 HIS A 86 1.093 -8.117 -6.005 1.00 1.20 H new ATOM 0 HE1 HIS A 86 4.011 -5.093 -6.642 1.00 0.99 H new ATOM 856 N ARG A 87 -3.127 -7.081 -9.238 1.00 1.29 N ATOM 857 CA ARG A 87 -4.435 -6.791 -9.874 1.00 1.49 C ATOM 858 C ARG A 87 -5.526 -6.535 -8.825 1.00 1.48 C ATOM 859 O ARG A 87 -6.264 -5.562 -8.950 1.00 1.51 O ATOM 860 CB ARG A 87 -4.808 -7.970 -10.799 1.00 1.86 C ATOM 861 CG ARG A 87 -6.062 -7.828 -11.682 1.00 2.73 C ATOM 862 CD ARG A 87 -5.838 -7.046 -12.986 1.00 2.28 C ATOM 863 NE ARG A 87 -6.218 -5.627 -12.883 1.00 2.78 N ATOM 864 CZ ARG A 87 -7.427 -5.108 -12.987 1.00 3.90 C ATOM 865 NH1 ARG A 87 -8.496 -5.831 -13.155 1.00 4.78 N ATOM 866 NH2 ARG A 87 -7.557 -3.819 -12.926 1.00 4.85 N ATOM 0 H ARG A 87 -2.715 -7.953 -9.570 1.00 1.29 H new ATOM 0 HA ARG A 87 -4.354 -5.879 -10.465 1.00 1.49 H new ATOM 0 HB2 ARG A 87 -3.958 -8.162 -11.454 1.00 1.86 H new ATOM 0 HB3 ARG A 87 -4.937 -8.855 -10.176 1.00 1.86 H new ATOM 0 HG2 ARG A 87 -6.432 -8.823 -11.929 1.00 2.73 H new ATOM 0 HG3 ARG A 87 -6.843 -7.332 -11.105 1.00 2.73 H new ATOM 0 HD2 ARG A 87 -4.787 -7.115 -13.268 1.00 2.28 H new ATOM 0 HD3 ARG A 87 -6.413 -7.513 -13.786 1.00 2.28 H new ATOM 0 HE ARG A 87 -5.458 -4.968 -12.711 1.00 2.78 H new ATOM 0 HH11 ARG A 87 -8.421 -6.847 -13.212 1.00 4.78 H new ATOM 0 HH12 ARG A 87 -9.409 -5.382 -13.230 1.00 4.78 H new ATOM 0 HH21 ARG A 87 -6.735 -3.229 -12.800 1.00 4.85 H new ATOM 0 HH22 ARG A 87 -8.482 -3.395 -13.004 1.00 4.85 H new ATOM 880 N LEU A 88 -5.567 -7.334 -7.751 1.00 1.52 N ATOM 881 CA LEU A 88 -6.479 -7.165 -6.610 1.00 1.70 C ATOM 882 C LEU A 88 -6.280 -5.793 -5.937 1.00 1.57 C ATOM 883 O LEU A 88 -7.245 -5.048 -5.778 1.00 1.66 O ATOM 884 CB LEU A 88 -6.279 -8.336 -5.618 1.00 1.89 C ATOM 885 CG LEU A 88 -7.516 -8.779 -4.814 1.00 2.44 C ATOM 886 CD1 LEU A 88 -7.133 -9.972 -3.934 1.00 3.19 C ATOM 887 CD2 LEU A 88 -8.070 -7.689 -3.899 1.00 3.18 C ATOM 0 H LEU A 88 -4.949 -8.139 -7.648 1.00 1.52 H new ATOM 0 HA LEU A 88 -7.510 -7.187 -6.964 1.00 1.70 H new ATOM 0 HB2 LEU A 88 -5.910 -9.196 -6.177 1.00 1.89 H new ATOM 0 HB3 LEU A 88 -5.497 -8.055 -4.913 1.00 1.89 H new ATOM 0 HG LEU A 88 -8.288 -9.027 -5.543 1.00 2.44 H new ATOM 0 HD11 LEU A 88 -8.002 -10.294 -3.360 1.00 3.19 H new ATOM 0 HD12 LEU A 88 -6.789 -10.793 -4.563 1.00 3.19 H new ATOM 0 HD13 LEU A 88 -6.335 -9.679 -3.251 1.00 3.19 H new ATOM 0 HD21 LEU A 88 -8.940 -8.070 -3.364 1.00 3.18 H new ATOM 0 HD22 LEU A 88 -7.304 -7.392 -3.182 1.00 3.18 H new ATOM 0 HD23 LEU A 88 -8.362 -6.826 -4.497 1.00 3.18 H new ATOM 899 N VAL A 89 -5.040 -5.402 -5.609 1.00 1.42 N ATOM 900 CA VAL A 89 -4.762 -4.049 -5.056 1.00 1.41 C ATOM 901 C VAL A 89 -5.133 -2.924 -6.033 1.00 1.27 C ATOM 902 O VAL A 89 -5.674 -1.894 -5.642 1.00 1.33 O ATOM 903 CB VAL A 89 -3.284 -3.898 -4.631 1.00 1.48 C ATOM 904 CG1 VAL A 89 -2.953 -2.496 -4.087 1.00 1.66 C ATOM 905 CG2 VAL A 89 -2.939 -4.882 -3.511 1.00 1.73 C ATOM 0 H VAL A 89 -4.213 -5.991 -5.712 1.00 1.42 H new ATOM 0 HA VAL A 89 -5.397 -3.954 -4.175 1.00 1.41 H new ATOM 0 HB VAL A 89 -2.707 -4.088 -5.536 1.00 1.48 H new ATOM 0 HG11 VAL A 89 -1.901 -2.454 -3.806 1.00 1.66 H new ATOM 0 HG12 VAL A 89 -3.153 -1.751 -4.857 1.00 1.66 H new ATOM 0 HG13 VAL A 89 -3.571 -2.290 -3.213 1.00 1.66 H new ATOM 0 HG21 VAL A 89 -1.894 -4.758 -3.227 1.00 1.73 H new ATOM 0 HG22 VAL A 89 -3.575 -4.688 -2.647 1.00 1.73 H new ATOM 0 HG23 VAL A 89 -3.102 -5.902 -3.860 1.00 1.73 H new ATOM 915 N HIS A 90 -4.861 -3.126 -7.314 1.00 1.21 N ATOM 916 CA HIS A 90 -4.972 -2.124 -8.374 1.00 1.30 C ATOM 917 C HIS A 90 -6.428 -1.891 -8.800 1.00 1.40 C ATOM 918 O HIS A 90 -6.779 -0.777 -9.189 1.00 1.53 O ATOM 919 CB HIS A 90 -4.118 -2.551 -9.582 1.00 1.40 C ATOM 920 CG HIS A 90 -2.612 -2.551 -9.411 1.00 1.36 C ATOM 921 ND1 HIS A 90 -1.711 -2.895 -10.397 1.00 1.58 N ATOM 922 CD2 HIS A 90 -1.875 -2.214 -8.302 1.00 1.25 C ATOM 923 CE1 HIS A 90 -0.470 -2.748 -9.908 1.00 1.48 C ATOM 924 NE2 HIS A 90 -0.518 -2.280 -8.647 1.00 1.32 N ATOM 0 H HIS A 90 -4.543 -4.030 -7.662 1.00 1.21 H new ATOM 0 HA HIS A 90 -4.601 -1.178 -7.980 1.00 1.30 H new ATOM 0 HB2 HIS A 90 -4.423 -3.557 -9.871 1.00 1.40 H new ATOM 0 HB3 HIS A 90 -4.362 -1.892 -10.415 1.00 1.40 H new ATOM 0 HD2 HIS A 90 -2.271 -1.945 -7.334 1.00 1.25 H new ATOM 0 HE1 HIS A 90 0.437 -2.973 -10.449 1.00 1.48 H new ATOM 0 HE2 HIS A 90 0.275 -2.024 -8.059 1.00 1.32 H new ATOM 932 N ALA A 91 -7.282 -2.912 -8.703 1.00 1.45 N ATOM 933 CA ALA A 91 -8.721 -2.785 -8.870 1.00 1.65 C ATOM 934 C ALA A 91 -9.447 -2.411 -7.574 1.00 1.71 C ATOM 935 O ALA A 91 -10.207 -1.439 -7.561 1.00 1.83 O ATOM 936 CB ALA A 91 -9.261 -4.086 -9.478 1.00 1.95 C ATOM 0 H ALA A 91 -6.981 -3.866 -8.502 1.00 1.45 H new ATOM 0 HA ALA A 91 -8.918 -1.955 -9.548 1.00 1.65 H new ATOM 0 HB1 ALA A 91 -10.340 -4.006 -9.609 1.00 1.95 H new ATOM 0 HB2 ALA A 91 -8.790 -4.259 -10.445 1.00 1.95 H new ATOM 0 HB3 ALA A 91 -9.038 -4.919 -8.812 1.00 1.95 H new ATOM 942 N ALA A 92 -9.239 -3.161 -6.490 1.00 1.71 N ATOM 943 CA ALA A 92 -10.041 -3.042 -5.274 1.00 1.83 C ATOM 944 C ALA A 92 -9.497 -2.049 -4.236 1.00 1.97 C ATOM 945 O ALA A 92 -10.263 -1.684 -3.342 1.00 2.39 O ATOM 946 CB ALA A 92 -10.258 -4.434 -4.672 1.00 1.74 C ATOM 0 H ALA A 92 -8.507 -3.869 -6.432 1.00 1.71 H new ATOM 0 HA ALA A 92 -10.997 -2.611 -5.571 1.00 1.83 H new ATOM 0 HB1 ALA A 92 -10.856 -4.349 -3.765 1.00 1.74 H new ATOM 0 HB2 ALA A 92 -10.779 -5.065 -5.392 1.00 1.74 H new ATOM 0 HB3 ALA A 92 -9.293 -4.880 -4.430 1.00 1.74 H new ATOM 952 N LEU A 93 -8.227 -1.606 -4.317 1.00 1.68 N ATOM 953 CA LEU A 93 -7.721 -0.584 -3.378 1.00 1.67 C ATOM 954 C LEU A 93 -7.311 0.745 -4.031 1.00 1.44 C ATOM 955 O LEU A 93 -6.902 1.648 -3.299 1.00 1.25 O ATOM 956 CB LEU A 93 -6.589 -1.143 -2.480 1.00 1.81 C ATOM 957 CG LEU A 93 -6.938 -2.021 -1.270 1.00 2.23 C ATOM 958 CD1 LEU A 93 -8.129 -1.545 -0.444 1.00 1.81 C ATOM 959 CD2 LEU A 93 -7.143 -3.454 -1.707 1.00 2.86 C ATOM 0 H LEU A 93 -7.547 -1.930 -5.005 1.00 1.68 H new ATOM 0 HA LEU A 93 -8.577 -0.339 -2.749 1.00 1.67 H new ATOM 0 HB2 LEU A 93 -5.922 -1.721 -3.120 1.00 1.81 H new ATOM 0 HB3 LEU A 93 -6.017 -0.292 -2.110 1.00 1.81 H new ATOM 0 HG LEU A 93 -6.080 -1.942 -0.603 1.00 2.23 H new ATOM 0 HD11 LEU A 93 -8.294 -2.232 0.386 1.00 1.81 H new ATOM 0 HD12 LEU A 93 -7.926 -0.547 -0.055 1.00 1.81 H new ATOM 0 HD13 LEU A 93 -9.019 -1.515 -1.072 1.00 1.81 H new ATOM 0 HD21 LEU A 93 -7.390 -4.067 -0.840 1.00 2.86 H new ATOM 0 HD22 LEU A 93 -7.958 -3.501 -2.429 1.00 2.86 H new ATOM 0 HD23 LEU A 93 -6.229 -3.828 -2.167 1.00 2.86 H new ATOM 971 N ALA A 94 -7.401 0.935 -5.354 1.00 1.56 N ATOM 972 CA ALA A 94 -6.805 2.136 -5.956 1.00 1.49 C ATOM 973 C ALA A 94 -7.437 3.477 -5.530 1.00 1.18 C ATOM 974 O ALA A 94 -6.724 4.478 -5.427 1.00 0.99 O ATOM 975 CB ALA A 94 -6.773 1.979 -7.477 1.00 2.05 C ATOM 0 H ALA A 94 -7.861 0.301 -6.007 1.00 1.56 H new ATOM 0 HA ALA A 94 -5.791 2.200 -5.562 1.00 1.49 H new ATOM 0 HB1 ALA A 94 -6.331 2.869 -7.925 1.00 2.05 H new ATOM 0 HB2 ALA A 94 -6.176 1.106 -7.740 1.00 2.05 H new ATOM 0 HB3 ALA A 94 -7.789 1.850 -7.851 1.00 2.05 H new ATOM 981 N GLU A 95 -8.732 3.530 -5.216 1.00 1.30 N ATOM 982 CA GLU A 95 -9.412 4.762 -4.800 1.00 1.33 C ATOM 983 C GLU A 95 -9.216 5.038 -3.302 1.00 1.21 C ATOM 984 O GLU A 95 -9.372 6.176 -2.855 1.00 1.43 O ATOM 985 CB GLU A 95 -10.903 4.654 -5.179 1.00 1.82 C ATOM 986 CG GLU A 95 -11.663 5.986 -5.153 1.00 1.79 C ATOM 987 CD GLU A 95 -13.158 5.780 -5.421 1.00 2.50 C ATOM 988 OE1 GLU A 95 -13.954 5.767 -4.447 1.00 3.39 O ATOM 989 OE2 GLU A 95 -13.555 5.657 -6.606 1.00 3.28 O ATOM 0 H GLU A 95 -9.345 2.715 -5.243 1.00 1.30 H new ATOM 0 HA GLU A 95 -8.974 5.613 -5.320 1.00 1.33 H new ATOM 0 HB2 GLU A 95 -10.981 4.225 -6.178 1.00 1.82 H new ATOM 0 HB3 GLU A 95 -11.390 3.959 -4.495 1.00 1.82 H new ATOM 0 HG2 GLU A 95 -11.528 6.465 -4.183 1.00 1.79 H new ATOM 0 HG3 GLU A 95 -11.247 6.659 -5.902 1.00 1.79 H new ATOM 996 N GLU A 96 -8.869 4.016 -2.516 1.00 1.10 N ATOM 997 CA GLU A 96 -8.593 4.061 -1.107 1.00 1.19 C ATOM 998 C GLU A 96 -7.122 4.405 -0.836 1.00 1.18 C ATOM 999 O GLU A 96 -6.810 5.369 -0.138 1.00 1.59 O ATOM 1000 CB GLU A 96 -8.942 2.658 -0.617 1.00 1.27 C ATOM 1001 CG GLU A 96 -10.433 2.319 -0.763 1.00 1.33 C ATOM 1002 CD GLU A 96 -11.018 1.544 0.429 1.00 1.44 C ATOM 1003 OE1 GLU A 96 -11.754 0.553 0.190 1.00 1.74 O ATOM 1004 OE2 GLU A 96 -10.788 1.957 1.593 1.00 2.66 O ATOM 0 H GLU A 96 -8.771 3.073 -2.891 1.00 1.10 H new ATOM 0 HA GLU A 96 -9.165 4.834 -0.593 1.00 1.19 H new ATOM 0 HB2 GLU A 96 -8.354 1.929 -1.174 1.00 1.27 H new ATOM 0 HB3 GLU A 96 -8.656 2.564 0.431 1.00 1.27 H new ATOM 0 HG2 GLU A 96 -10.994 3.244 -0.892 1.00 1.33 H new ATOM 0 HG3 GLU A 96 -10.574 1.731 -1.670 1.00 1.33 H new ATOM 1011 N LEU A 97 -6.215 3.632 -1.434 1.00 0.92 N ATOM 1012 CA LEU A 97 -4.764 3.750 -1.306 1.00 0.97 C ATOM 1013 C LEU A 97 -4.219 4.882 -2.192 1.00 0.94 C ATOM 1014 O LEU A 97 -3.317 5.602 -1.772 1.00 1.12 O ATOM 1015 CB LEU A 97 -4.200 2.352 -1.626 1.00 1.31 C ATOM 1016 CG LEU A 97 -2.865 1.964 -0.964 1.00 1.70 C ATOM 1017 CD1 LEU A 97 -2.657 0.450 -1.079 1.00 1.89 C ATOM 1018 CD2 LEU A 97 -1.665 2.619 -1.635 1.00 2.81 C ATOM 0 H LEU A 97 -6.488 2.868 -2.052 1.00 0.92 H new ATOM 0 HA LEU A 97 -4.451 4.040 -0.303 1.00 0.97 H new ATOM 0 HB2 LEU A 97 -4.947 1.612 -1.339 1.00 1.31 H new ATOM 0 HB3 LEU A 97 -4.076 2.277 -2.706 1.00 1.31 H new ATOM 0 HG LEU A 97 -2.927 2.299 0.071 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -1.712 0.176 -0.610 1.00 1.89 H new ATOM 0 HD12 LEU A 97 -3.474 -0.069 -0.578 1.00 1.89 H new ATOM 0 HD13 LEU A 97 -2.637 0.164 -2.131 1.00 1.89 H new ATOM 0 HD21 LEU A 97 -0.751 2.310 -1.128 1.00 2.81 H new ATOM 0 HD22 LEU A 97 -1.621 2.313 -2.680 1.00 2.81 H new ATOM 0 HD23 LEU A 97 -1.763 3.703 -1.578 1.00 2.81 H new ATOM 1030 N GLY A 98 -4.836 5.141 -3.355 1.00 0.98 N ATOM 1031 CA GLY A 98 -4.631 6.380 -4.109 1.00 1.26 C ATOM 1032 C GLY A 98 -5.543 7.522 -3.659 1.00 1.32 C ATOM 1033 O GLY A 98 -5.684 8.516 -4.364 1.00 1.72 O ATOM 0 H GLY A 98 -5.491 4.495 -3.796 1.00 0.98 H new ATOM 0 HA2 GLY A 98 -3.592 6.692 -4.005 1.00 1.26 H new ATOM 0 HA3 GLY A 98 -4.801 6.185 -5.168 1.00 1.26 H new ATOM 1037 N GLY A 99 -6.196 7.375 -2.508 1.00 1.42 N ATOM 1038 CA GLY A 99 -7.143 8.350 -1.951 1.00 2.01 C ATOM 1039 C GLY A 99 -6.480 9.673 -1.537 1.00 2.28 C ATOM 1040 O GLY A 99 -6.914 10.740 -1.989 1.00 2.70 O ATOM 0 H GLY A 99 -6.080 6.552 -1.917 1.00 1.42 H new ATOM 0 HA2 GLY A 99 -7.918 8.556 -2.689 1.00 2.01 H new ATOM 0 HA3 GLY A 99 -7.637 7.912 -1.084 1.00 2.01 H new ATOM 1044 N PRO A 100 -5.395 9.624 -0.738 1.00 2.19 N ATOM 1045 CA PRO A 100 -4.604 10.794 -0.357 1.00 2.43 C ATOM 1046 C PRO A 100 -3.353 11.017 -1.238 1.00 2.07 C ATOM 1047 O PRO A 100 -2.517 11.858 -0.906 1.00 2.34 O ATOM 1048 CB PRO A 100 -4.277 10.525 1.113 1.00 2.76 C ATOM 1049 CG PRO A 100 -4.051 9.015 1.160 1.00 2.48 C ATOM 1050 CD PRO A 100 -5.035 8.489 0.113 1.00 2.18 C ATOM 0 HA PRO A 100 -5.146 11.728 -0.504 1.00 2.43 H new ATOM 0 HB2 PRO A 100 -3.391 11.073 1.433 1.00 2.76 H new ATOM 0 HB3 PRO A 100 -5.094 10.829 1.768 1.00 2.76 H new ATOM 0 HG2 PRO A 100 -3.022 8.753 0.915 1.00 2.48 H new ATOM 0 HG3 PRO A 100 -4.257 8.606 2.149 1.00 2.48 H new ATOM 0 HD2 PRO A 100 -4.582 7.692 -0.477 1.00 2.18 H new ATOM 0 HD3 PRO A 100 -5.920 8.068 0.591 1.00 2.18 H new ATOM 1058 N VAL A 101 -3.200 10.262 -2.336 1.00 1.59 N ATOM 1059 CA VAL A 101 -1.974 10.173 -3.158 1.00 1.31 C ATOM 1060 C VAL A 101 -2.295 10.309 -4.657 1.00 1.37 C ATOM 1061 O VAL A 101 -3.309 9.788 -5.122 1.00 1.63 O ATOM 1062 CB VAL A 101 -1.229 8.851 -2.837 1.00 1.13 C ATOM 1063 CG1 VAL A 101 -0.087 8.565 -3.800 1.00 1.65 C ATOM 1064 CG2 VAL A 101 -0.670 8.865 -1.412 1.00 2.31 C ATOM 0 H VAL A 101 -3.952 9.673 -2.693 1.00 1.59 H new ATOM 0 HA VAL A 101 -1.315 11.005 -2.908 1.00 1.31 H new ATOM 0 HB VAL A 101 -1.974 8.062 -2.943 1.00 1.13 H new ATOM 0 HG11 VAL A 101 0.396 7.627 -3.524 1.00 1.65 H new ATOM 0 HG12 VAL A 101 -0.478 8.487 -4.815 1.00 1.65 H new ATOM 0 HG13 VAL A 101 0.641 9.375 -3.752 1.00 1.65 H new ATOM 0 HG21 VAL A 101 -0.153 7.926 -1.215 1.00 2.31 H new ATOM 0 HG22 VAL A 101 0.029 9.694 -1.304 1.00 2.31 H new ATOM 0 HG23 VAL A 101 -1.488 8.985 -0.702 1.00 2.31 H new ATOM 1074 N HIS A 102 -1.431 10.973 -5.436 1.00 1.28 N ATOM 1075 CA HIS A 102 -1.584 11.146 -6.893 1.00 1.40 C ATOM 1076 C HIS A 102 -0.909 10.036 -7.726 1.00 1.40 C ATOM 1077 O HIS A 102 -1.479 9.594 -8.726 1.00 1.72 O ATOM 1078 CB HIS A 102 -1.054 12.524 -7.316 1.00 1.41 C ATOM 1079 CG HIS A 102 -2.055 13.625 -7.109 1.00 2.43 C ATOM 1080 ND1 HIS A 102 -3.168 13.884 -7.873 1.00 3.33 N ATOM 1081 CD2 HIS A 102 -2.013 14.565 -6.125 1.00 3.16 C ATOM 1082 CE1 HIS A 102 -3.776 14.973 -7.375 1.00 4.52 C ATOM 1083 NE2 HIS A 102 -3.106 15.429 -6.297 1.00 4.50 N ATOM 0 H HIS A 102 -0.589 11.415 -5.067 1.00 1.28 H new ATOM 0 HA HIS A 102 -2.652 11.073 -7.101 1.00 1.40 H new ATOM 0 HB2 HIS A 102 -0.151 12.750 -6.749 1.00 1.41 H new ATOM 0 HB3 HIS A 102 -0.770 12.491 -8.368 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -1.268 14.634 -5.347 1.00 3.16 H new ATOM 0 HE1 HIS A 102 -4.672 15.419 -7.780 1.00 4.52 H new ATOM 0 HE2 HIS A 102 -3.345 16.238 -5.723 1.00 4.50 H new ATOM 1091 N ALA A 103 0.286 9.597 -7.323 1.00 1.11 N ATOM 1092 CA ALA A 103 1.115 8.593 -7.990 1.00 1.09 C ATOM 1093 C ALA A 103 1.757 7.647 -6.966 1.00 0.90 C ATOM 1094 O ALA A 103 2.144 8.075 -5.879 1.00 0.83 O ATOM 1095 CB ALA A 103 2.224 9.292 -8.770 1.00 1.25 C ATOM 0 H ALA A 103 0.725 9.954 -6.474 1.00 1.11 H new ATOM 0 HA ALA A 103 0.480 8.014 -8.661 1.00 1.09 H new ATOM 0 HB1 ALA A 103 2.844 8.547 -9.268 1.00 1.25 H new ATOM 0 HB2 ALA A 103 1.783 9.954 -9.515 1.00 1.25 H new ATOM 0 HB3 ALA A 103 2.839 9.875 -8.085 1.00 1.25 H new ATOM 1101 N LEU A 104 1.876 6.362 -7.294 1.00 0.92 N ATOM 1102 CA LEU A 104 2.318 5.352 -6.344 1.00 0.82 C ATOM 1103 C LEU A 104 2.786 4.016 -6.928 1.00 0.81 C ATOM 1104 O LEU A 104 2.361 3.609 -8.011 1.00 0.92 O ATOM 1105 CB LEU A 104 1.210 5.125 -5.306 1.00 0.87 C ATOM 1106 CG LEU A 104 -0.126 4.472 -5.717 1.00 1.05 C ATOM 1107 CD1 LEU A 104 -1.049 4.578 -4.503 1.00 1.19 C ATOM 1108 CD2 LEU A 104 -0.862 5.111 -6.895 1.00 1.50 C ATOM 0 H LEU A 104 1.669 5.996 -8.223 1.00 0.92 H new ATOM 0 HA LEU A 104 3.222 5.762 -5.894 1.00 0.82 H new ATOM 0 HB2 LEU A 104 1.635 4.514 -4.510 1.00 0.87 H new ATOM 0 HB3 LEU A 104 0.973 6.096 -4.871 1.00 0.87 H new ATOM 0 HG LEU A 104 0.118 3.460 -6.039 1.00 1.05 H new ATOM 0 HD11 LEU A 104 -2.014 4.129 -4.739 1.00 1.19 H new ATOM 0 HD12 LEU A 104 -0.602 4.053 -3.659 1.00 1.19 H new ATOM 0 HD13 LEU A 104 -1.191 5.627 -4.244 1.00 1.19 H new ATOM 0 HD21 LEU A 104 -1.785 4.564 -7.087 1.00 1.50 H new ATOM 0 HD22 LEU A 104 -1.098 6.148 -6.657 1.00 1.50 H new ATOM 0 HD23 LEU A 104 -0.229 5.077 -7.781 1.00 1.50 H new ATOM 1120 N ALA A 105 3.612 3.310 -6.151 1.00 0.74 N ATOM 1121 CA ALA A 105 4.065 1.940 -6.419 1.00 0.78 C ATOM 1122 C ALA A 105 3.983 1.050 -5.159 1.00 0.76 C ATOM 1123 O ALA A 105 4.252 1.498 -4.036 1.00 0.73 O ATOM 1124 CB ALA A 105 5.456 1.989 -7.063 1.00 0.89 C ATOM 0 H ALA A 105 3.998 3.689 -5.287 1.00 0.74 H new ATOM 0 HA ALA A 105 3.393 1.461 -7.131 1.00 0.78 H new ATOM 0 HB1 ALA A 105 5.799 0.974 -7.265 1.00 0.89 H new ATOM 0 HB2 ALA A 105 5.405 2.548 -7.998 1.00 0.89 H new ATOM 0 HB3 ALA A 105 6.154 2.480 -6.385 1.00 0.89 H new ATOM 1130 N ILE A 106 3.556 -0.206 -5.335 1.00 0.79 N ATOM 1131 CA ILE A 106 3.157 -1.112 -4.249 1.00 0.64 C ATOM 1132 C ILE A 106 3.853 -2.477 -4.321 1.00 0.48 C ATOM 1133 O ILE A 106 4.262 -2.925 -5.391 1.00 0.52 O ATOM 1134 CB ILE A 106 1.616 -1.273 -4.208 1.00 0.79 C ATOM 1135 CG1 ILE A 106 0.995 -2.006 -5.427 1.00 0.80 C ATOM 1136 CG2 ILE A 106 0.933 0.097 -4.025 1.00 1.11 C ATOM 1137 CD1 ILE A 106 0.710 -3.497 -5.195 1.00 1.16 C ATOM 0 H ILE A 106 3.476 -0.632 -6.258 1.00 0.79 H new ATOM 0 HA ILE A 106 3.487 -0.650 -3.318 1.00 0.64 H new ATOM 0 HB ILE A 106 1.429 -1.918 -3.349 1.00 0.79 H new ATOM 0 HG12 ILE A 106 0.064 -1.509 -5.698 1.00 0.80 H new ATOM 0 HG13 ILE A 106 1.669 -1.906 -6.278 1.00 0.80 H new ATOM 0 HG21 ILE A 106 -0.149 -0.036 -3.999 1.00 1.11 H new ATOM 0 HG22 ILE A 106 1.266 0.548 -3.090 1.00 1.11 H new ATOM 0 HG23 ILE A 106 1.198 0.750 -4.857 1.00 1.11 H new ATOM 0 HD11 ILE A 106 0.278 -3.929 -6.097 1.00 1.16 H new ATOM 0 HD12 ILE A 106 1.640 -4.012 -4.955 1.00 1.16 H new ATOM 0 HD13 ILE A 106 0.010 -3.609 -4.367 1.00 1.16 H new ATOM 1149 N GLN A 107 3.946 -3.160 -3.182 1.00 0.47 N ATOM 1150 CA GLN A 107 4.180 -4.604 -3.088 1.00 0.55 C ATOM 1151 C GLN A 107 3.046 -5.260 -2.292 1.00 0.74 C ATOM 1152 O GLN A 107 2.796 -4.866 -1.151 1.00 0.94 O ATOM 1153 CB GLN A 107 5.535 -4.895 -2.414 1.00 0.76 C ATOM 1154 CG GLN A 107 6.771 -4.540 -3.256 1.00 0.92 C ATOM 1155 CD GLN A 107 6.959 -5.392 -4.513 1.00 2.51 C ATOM 1156 OE1 GLN A 107 6.208 -6.316 -4.806 1.00 4.27 O ATOM 1157 NE2 GLN A 107 7.986 -5.123 -5.286 1.00 2.94 N ATOM 0 H GLN A 107 3.858 -2.712 -2.270 1.00 0.47 H new ATOM 0 HA GLN A 107 4.203 -5.020 -4.095 1.00 0.55 H new ATOM 0 HB2 GLN A 107 5.583 -4.342 -1.476 1.00 0.76 H new ATOM 0 HB3 GLN A 107 5.578 -5.955 -2.162 1.00 0.76 H new ATOM 0 HG2 GLN A 107 6.703 -3.493 -3.551 1.00 0.92 H new ATOM 0 HG3 GLN A 107 7.659 -4.639 -2.631 1.00 0.92 H new ATOM 0 HE21 GLN A 107 8.615 -4.356 -5.049 1.00 2.94 H new ATOM 0 HE22 GLN A 107 8.154 -5.681 -6.123 1.00 2.94 H new ATOM 1166 N ALA A 108 2.381 -6.266 -2.870 1.00 0.76 N ATOM 1167 CA ALA A 108 1.393 -7.103 -2.185 1.00 0.78 C ATOM 1168 C ALA A 108 1.995 -8.482 -1.873 1.00 0.71 C ATOM 1169 O ALA A 108 2.455 -9.170 -2.785 1.00 0.79 O ATOM 1170 CB ALA A 108 0.122 -7.198 -3.036 1.00 0.89 C ATOM 0 H ALA A 108 2.518 -6.526 -3.847 1.00 0.76 H new ATOM 0 HA ALA A 108 1.118 -6.652 -1.232 1.00 0.78 H new ATOM 0 HB1 ALA A 108 -0.612 -7.821 -2.525 1.00 0.89 H new ATOM 0 HB2 ALA A 108 -0.291 -6.200 -3.186 1.00 0.89 H new ATOM 0 HB3 ALA A 108 0.363 -7.640 -4.003 1.00 0.89 H new ATOM 1176 N ARG A 109 2.009 -8.895 -0.600 1.00 0.73 N ATOM 1177 CA ARG A 109 2.712 -10.112 -0.134 1.00 0.71 C ATOM 1178 C ARG A 109 1.860 -10.977 0.814 1.00 0.72 C ATOM 1179 O ARG A 109 0.850 -10.510 1.341 1.00 0.75 O ATOM 1180 CB ARG A 109 4.017 -9.707 0.578 1.00 1.01 C ATOM 1181 CG ARG A 109 4.982 -8.688 -0.064 1.00 1.90 C ATOM 1182 CD ARG A 109 5.471 -8.997 -1.486 1.00 1.10 C ATOM 1183 NE ARG A 109 6.768 -8.347 -1.765 1.00 1.56 N ATOM 1184 CZ ARG A 109 7.564 -8.556 -2.801 1.00 1.57 C ATOM 1185 NH1 ARG A 109 7.279 -9.412 -3.734 1.00 2.70 N ATOM 1186 NH2 ARG A 109 8.676 -7.897 -2.939 1.00 2.24 N ATOM 0 H ARG A 109 1.530 -8.394 0.148 1.00 0.73 H new ATOM 0 HA ARG A 109 2.921 -10.717 -1.016 1.00 0.71 H new ATOM 0 HB2 ARG A 109 3.740 -9.314 1.556 1.00 1.01 H new ATOM 0 HB3 ARG A 109 4.585 -10.621 0.751 1.00 1.01 H new ATOM 0 HG2 ARG A 109 4.489 -7.716 -0.078 1.00 1.90 H new ATOM 0 HG3 ARG A 109 5.855 -8.593 0.582 1.00 1.90 H new ATOM 0 HD2 ARG A 109 5.568 -10.075 -1.612 1.00 1.10 H new ATOM 0 HD3 ARG A 109 4.729 -8.657 -2.209 1.00 1.10 H new ATOM 0 HE ARG A 109 7.086 -7.659 -1.082 1.00 1.56 H new ATOM 0 HH11 ARG A 109 6.415 -9.952 -3.684 1.00 2.70 H new ATOM 0 HH12 ARG A 109 7.919 -9.545 -4.517 1.00 2.70 H new ATOM 0 HH21 ARG A 109 8.948 -7.204 -2.241 1.00 2.24 H new ATOM 0 HH22 ARG A 109 9.276 -8.073 -3.745 1.00 2.24 H new ATOM 1200 N THR A 110 2.301 -12.198 1.120 1.00 0.77 N ATOM 1201 CA THR A 110 1.723 -13.050 2.182 1.00 0.79 C ATOM 1202 C THR A 110 2.593 -13.122 3.450 1.00 0.80 C ATOM 1203 O THR A 110 3.828 -13.014 3.380 1.00 0.76 O ATOM 1204 CB THR A 110 1.431 -14.468 1.687 1.00 0.83 C ATOM 1205 OG1 THR A 110 2.572 -15.052 1.120 1.00 0.89 O ATOM 1206 CG2 THR A 110 0.320 -14.486 0.652 1.00 1.01 C ATOM 0 H THR A 110 3.082 -12.638 0.634 1.00 0.77 H new ATOM 0 HA THR A 110 0.785 -12.563 2.449 1.00 0.79 H new ATOM 0 HB THR A 110 1.118 -15.039 2.561 1.00 0.83 H new ATOM 0 HG1 THR A 110 2.358 -15.958 0.813 1.00 0.89 H new ATOM 0 HG21 THR A 110 0.143 -15.511 0.326 1.00 1.01 H new ATOM 0 HG22 THR A 110 -0.592 -14.082 1.091 1.00 1.01 H new ATOM 0 HG23 THR A 110 0.611 -13.878 -0.205 1.00 1.01 H new ATOM 1214 N PRO A 111 1.976 -13.295 4.639 1.00 0.88 N ATOM 1215 CA PRO A 111 2.700 -13.280 5.905 1.00 0.91 C ATOM 1216 C PRO A 111 3.779 -14.358 5.974 1.00 0.96 C ATOM 1217 O PRO A 111 4.892 -14.036 6.365 1.00 0.99 O ATOM 1218 CB PRO A 111 1.652 -13.422 7.013 1.00 0.98 C ATOM 1219 CG PRO A 111 0.440 -14.019 6.304 1.00 0.98 C ATOM 1220 CD PRO A 111 0.549 -13.445 4.894 1.00 0.94 C ATOM 0 HA PRO A 111 3.248 -12.345 6.020 1.00 0.91 H new ATOM 0 HB2 PRO A 111 2.005 -14.071 7.815 1.00 0.98 H new ATOM 0 HB3 PRO A 111 1.415 -12.458 7.464 1.00 0.98 H new ATOM 0 HG2 PRO A 111 0.471 -15.109 6.300 1.00 0.98 H new ATOM 0 HG3 PRO A 111 -0.493 -13.729 6.787 1.00 0.98 H new ATOM 0 HD2 PRO A 111 0.089 -14.110 4.164 1.00 0.94 H new ATOM 0 HD3 PRO A 111 0.035 -12.487 4.821 1.00 0.94 H new ATOM 1228 N ALA A 112 3.545 -15.595 5.526 1.00 1.05 N ATOM 1229 CA ALA A 112 4.590 -16.617 5.575 1.00 1.14 C ATOM 1230 C ALA A 112 5.709 -16.410 4.533 1.00 1.18 C ATOM 1231 O ALA A 112 6.823 -16.887 4.758 1.00 1.27 O ATOM 1232 CB ALA A 112 3.943 -18.003 5.500 1.00 1.33 C ATOM 0 H ALA A 112 2.657 -15.908 5.132 1.00 1.05 H new ATOM 0 HA ALA A 112 5.109 -16.526 6.529 1.00 1.14 H new ATOM 0 HB1 ALA A 112 4.718 -18.769 5.536 1.00 1.33 H new ATOM 0 HB2 ALA A 112 3.264 -18.134 6.343 1.00 1.33 H new ATOM 0 HB3 ALA A 112 3.386 -18.094 4.568 1.00 1.33 H new ATOM 1238 N GLN A 113 5.495 -15.644 3.450 1.00 1.19 N ATOM 1239 CA GLN A 113 6.617 -15.189 2.614 1.00 1.24 C ATOM 1240 C GLN A 113 7.462 -14.160 3.389 1.00 0.99 C ATOM 1241 O GLN A 113 8.688 -14.303 3.472 1.00 1.09 O ATOM 1242 CB GLN A 113 6.150 -14.715 1.222 1.00 1.44 C ATOM 1243 CG GLN A 113 6.183 -13.205 0.938 1.00 1.23 C ATOM 1244 CD GLN A 113 5.609 -12.897 -0.441 1.00 1.43 C ATOM 1245 OE1 GLN A 113 4.424 -13.041 -0.695 1.00 2.05 O ATOM 1246 NE2 GLN A 113 6.389 -12.449 -1.395 1.00 2.48 N ATOM 0 H GLN A 113 4.575 -15.332 3.138 1.00 1.19 H new ATOM 0 HA GLN A 113 7.272 -16.033 2.400 1.00 1.24 H new ATOM 0 HB2 GLN A 113 6.767 -15.212 0.473 1.00 1.44 H new ATOM 0 HB3 GLN A 113 5.128 -15.063 1.074 1.00 1.44 H new ATOM 0 HG2 GLN A 113 5.612 -12.675 1.700 1.00 1.23 H new ATOM 0 HG3 GLN A 113 7.209 -12.842 0.998 1.00 1.23 H new ATOM 0 HE21 GLN A 113 7.385 -12.316 -1.219 1.00 2.48 H new ATOM 0 HE22 GLN A 113 6.000 -12.233 -2.313 1.00 2.48 H new ATOM 1255 N TRP A 114 6.798 -13.184 4.039 1.00 0.81 N ATOM 1256 CA TRP A 114 7.466 -12.196 4.906 1.00 0.73 C ATOM 1257 C TRP A 114 8.217 -12.853 6.076 1.00 0.83 C ATOM 1258 O TRP A 114 9.301 -12.398 6.456 1.00 0.91 O ATOM 1259 CB TRP A 114 6.453 -11.192 5.481 1.00 0.63 C ATOM 1260 CG TRP A 114 7.060 -10.058 6.214 1.00 0.62 C ATOM 1261 CD1 TRP A 114 7.365 -10.036 7.531 1.00 0.72 C ATOM 1262 CD2 TRP A 114 7.322 -8.721 5.704 1.00 0.63 C ATOM 1263 NE1 TRP A 114 7.759 -8.764 7.878 1.00 0.68 N ATOM 1264 CE2 TRP A 114 7.645 -7.895 6.814 1.00 0.66 C ATOM 1265 CE3 TRP A 114 7.214 -8.101 4.440 1.00 0.70 C ATOM 1266 CZ2 TRP A 114 7.672 -6.504 6.707 1.00 0.84 C ATOM 1267 CZ3 TRP A 114 7.313 -6.704 4.310 1.00 0.85 C ATOM 1268 CH2 TRP A 114 7.511 -5.900 5.447 1.00 0.95 C ATOM 0 H TRP A 114 5.788 -13.059 3.978 1.00 0.81 H new ATOM 0 HA TRP A 114 8.188 -11.681 4.273 1.00 0.73 H new ATOM 0 HB2 TRP A 114 5.848 -10.798 4.665 1.00 0.63 H new ATOM 0 HB3 TRP A 114 5.777 -11.722 6.152 1.00 0.63 H new ATOM 0 HD1 TRP A 114 7.309 -10.880 8.202 1.00 0.72 H new ATOM 0 HE1 TRP A 114 8.093 -8.498 8.804 1.00 0.68 H new ATOM 0 HE3 TRP A 114 7.053 -8.708 3.561 1.00 0.70 H new ATOM 0 HZ2 TRP A 114 7.816 -5.894 7.587 1.00 0.84 H new ATOM 0 HZ3 TRP A 114 7.237 -6.247 3.334 1.00 0.85 H new ATOM 0 HH2 TRP A 114 7.539 -4.824 5.353 1.00 0.95 H new ATOM 1279 N ARG A 115 7.664 -13.943 6.626 1.00 0.91 N ATOM 1280 CA ARG A 115 8.227 -14.686 7.767 1.00 1.10 C ATOM 1281 C ARG A 115 9.624 -15.192 7.423 1.00 1.19 C ATOM 1282 O ARG A 115 10.504 -15.149 8.274 1.00 1.30 O ATOM 1283 CB ARG A 115 7.312 -15.867 8.183 1.00 1.29 C ATOM 1284 CG ARG A 115 6.087 -15.440 9.020 1.00 1.22 C ATOM 1285 CD ARG A 115 4.976 -16.480 9.279 1.00 1.98 C ATOM 1286 NE ARG A 115 5.495 -17.785 9.733 1.00 3.36 N ATOM 1287 CZ ARG A 115 4.869 -18.949 9.717 1.00 5.00 C ATOM 1288 NH1 ARG A 115 3.631 -19.109 9.347 1.00 5.65 N ATOM 1289 NH2 ARG A 115 5.513 -20.009 10.087 1.00 6.40 N ATOM 0 H ARG A 115 6.791 -14.344 6.283 1.00 0.91 H new ATOM 0 HA ARG A 115 8.292 -14.004 8.615 1.00 1.10 H new ATOM 0 HB2 ARG A 115 6.966 -16.380 7.286 1.00 1.29 H new ATOM 0 HB3 ARG A 115 7.899 -16.585 8.755 1.00 1.29 H new ATOM 0 HG2 ARG A 115 6.450 -15.094 9.988 1.00 1.22 H new ATOM 0 HG3 ARG A 115 5.630 -14.582 8.526 1.00 1.22 H new ATOM 0 HD2 ARG A 115 4.289 -16.089 10.029 1.00 1.98 H new ATOM 0 HD3 ARG A 115 4.401 -16.623 8.364 1.00 1.98 H new ATOM 0 HE ARG A 115 6.446 -17.789 10.101 1.00 3.36 H new ATOM 0 HH11 ARG A 115 3.081 -18.305 9.044 1.00 5.65 H new ATOM 0 HH12 ARG A 115 3.211 -20.038 9.360 1.00 5.65 H new ATOM 0 HH21 ARG A 115 6.486 -19.937 10.384 1.00 6.40 H new ATOM 0 HH22 ARG A 115 5.047 -20.916 10.082 1.00 6.40 H new ATOM 1303 N GLU A 116 9.830 -15.638 6.185 1.00 1.22 N ATOM 1304 CA GLU A 116 11.128 -16.104 5.704 1.00 1.42 C ATOM 1305 C GLU A 116 11.962 -15.009 5.000 1.00 1.56 C ATOM 1306 O GLU A 116 12.944 -14.505 5.557 1.00 1.83 O ATOM 1307 CB GLU A 116 10.840 -17.271 4.739 1.00 1.54 C ATOM 1308 CG GLU A 116 10.108 -18.472 5.358 1.00 2.29 C ATOM 1309 CD GLU A 116 10.948 -19.315 6.320 1.00 2.60 C ATOM 1310 OE1 GLU A 116 12.180 -19.449 6.125 1.00 3.08 O ATOM 1311 OE2 GLU A 116 10.366 -19.930 7.247 1.00 3.85 O ATOM 0 H GLU A 116 9.093 -15.686 5.481 1.00 1.22 H new ATOM 0 HA GLU A 116 11.735 -16.410 6.556 1.00 1.42 H new ATOM 0 HB2 GLU A 116 10.245 -16.894 3.907 1.00 1.54 H new ATOM 0 HB3 GLU A 116 11.786 -17.618 4.323 1.00 1.54 H new ATOM 0 HG2 GLU A 116 9.229 -18.108 5.890 1.00 2.29 H new ATOM 0 HG3 GLU A 116 9.750 -19.114 4.553 1.00 2.29 H new ATOM 1318 N ASN A 117 11.586 -14.638 3.766 1.00 1.62 N ATOM 1319 CA ASN A 117 12.078 -13.461 3.032 1.00 1.93 C ATOM 1320 C ASN A 117 11.115 -13.061 1.897 1.00 2.52 C ATOM 1321 O ASN A 117 10.869 -11.879 1.648 1.00 2.91 O ATOM 1322 CB ASN A 117 13.468 -13.796 2.455 1.00 2.01 C ATOM 1323 CG ASN A 117 14.097 -12.640 1.699 1.00 2.49 C ATOM 1324 OD1 ASN A 117 14.774 -11.797 2.269 1.00 2.90 O ATOM 1325 ND2 ASN A 117 13.920 -12.566 0.405 1.00 3.23 N ATOM 0 H ASN A 117 10.902 -15.172 3.230 1.00 1.62 H new ATOM 0 HA ASN A 117 12.142 -12.615 3.716 1.00 1.93 H new ATOM 0 HB2 ASN A 117 14.130 -14.092 3.269 1.00 2.01 H new ATOM 0 HB3 ASN A 117 13.380 -14.653 1.787 1.00 2.01 H new ATOM 0 HD21 ASN A 117 14.346 -11.806 -0.125 1.00 3.23 H new ATOM 0 HD22 ASN A 117 13.356 -13.268 -0.074 1.00 3.23 H new ATOM 1332 N SER A 118 10.659 -14.103 1.188 1.00 3.35 N ATOM 1333 CA SER A 118 10.003 -14.132 -0.127 1.00 4.39 C ATOM 1334 C SER A 118 9.505 -15.566 -0.424 1.00 4.79 C ATOM 1335 O SER A 118 9.524 -16.423 0.469 1.00 5.81 O ATOM 1336 CB SER A 118 11.002 -13.670 -1.204 1.00 5.85 C ATOM 1337 OG SER A 118 12.220 -14.400 -1.191 1.00 7.21 O ATOM 0 H SER A 118 10.751 -15.048 1.562 1.00 3.35 H new ATOM 0 HA SER A 118 9.146 -13.459 -0.131 1.00 4.39 H new ATOM 0 HB2 SER A 118 10.538 -13.768 -2.186 1.00 5.85 H new ATOM 0 HB3 SER A 118 11.219 -12.612 -1.058 1.00 5.85 H new ATOM 0 HG SER A 118 12.858 -13.983 -1.807 1.00 7.21 H new