USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 410 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 SER OG : rot -58:sc= 0.683 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -2.15! C(o=-5.2!,f=-15!) USER MOD Set 2.2: A 60 TYR OH : rot -31:sc= -3.07! USER MOD Single : A 14 SER OG : rot 20:sc= 0.441 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0192 USER MOD Single : A 18 SER OG : rot 51:sc= 1.21 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 172:sc= -1.27 (180deg=-1.59) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -3.89! C(o=-7.8!,f=-3.9!) USER MOD Single : A 42 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.22) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -159:sc= -4.23! (180deg=-5.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.6!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.262 F(o=-1.1,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 7.112 -0.743 -8.638 1.00 0.00 N ATOM 24 CA SER A 14 5.970 -1.547 -8.118 1.00 0.00 C ATOM 25 C SER A 14 5.685 -1.130 -6.674 1.00 0.00 C ATOM 26 O SER A 14 6.533 -0.572 -6.006 1.00 0.00 O ATOM 27 CB SER A 14 6.327 -3.036 -8.146 1.00 0.00 C ATOM 28 OG SER A 14 7.037 -3.330 -9.335 1.00 0.00 O ATOM 0 HA SER A 14 5.092 -1.374 -8.741 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.932 -3.292 -7.276 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.421 -3.639 -8.093 1.00 0.00 H new ATOM 0 HG SER A 14 7.406 -2.503 -9.709 1.00 0.00 H new ATOM 34 N ILE A 15 4.505 -1.408 -6.185 1.00 0.00 N ATOM 35 CA ILE A 15 4.158 -1.045 -4.777 1.00 0.00 C ATOM 36 C ILE A 15 3.510 -2.250 -4.096 1.00 0.00 C ATOM 37 O ILE A 15 2.590 -2.850 -4.616 1.00 0.00 O ATOM 38 CB ILE A 15 3.186 0.139 -4.777 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.874 1.355 -5.406 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.779 0.472 -3.339 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.850 2.468 -5.642 1.00 0.00 C ATOM 0 H ILE A 15 3.761 -1.874 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 15 5.061 -0.763 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 15 2.297 -0.120 -5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.669 1.713 -4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.341 1.072 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.088 1.315 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.294 -0.394 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.666 0.733 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.346 3.330 -6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.070 2.109 -6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.404 2.759 -4.691 1.00 0.00 H new ATOM 53 N TRP A 16 3.983 -2.605 -2.932 1.00 0.00 N ATOM 54 CA TRP A 16 3.406 -3.769 -2.196 1.00 0.00 C ATOM 55 C TRP A 16 3.337 -3.404 -0.708 1.00 0.00 C ATOM 56 O TRP A 16 4.298 -2.926 -0.139 1.00 0.00 O ATOM 57 CB TRP A 16 4.311 -4.995 -2.373 1.00 0.00 C ATOM 58 CG TRP A 16 4.614 -5.222 -3.827 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.504 -4.508 -4.562 1.00 0.00 C ATOM 60 CD2 TRP A 16 4.070 -6.237 -4.728 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.530 -5.012 -5.848 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.666 -6.074 -6.002 1.00 0.00 C ATOM 63 CE3 TRP A 16 3.124 -7.268 -4.569 1.00 0.00 C ATOM 64 CZ2 TRP A 16 4.339 -6.903 -7.076 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.793 -8.103 -5.651 1.00 0.00 C ATOM 66 CH2 TRP A 16 3.400 -7.921 -6.900 1.00 0.00 C ATOM 0 H TRP A 16 4.752 -2.134 -2.454 1.00 0.00 H new ATOM 0 HA TRP A 16 2.413 -4.002 -2.582 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.240 -4.851 -1.820 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.825 -5.876 -1.955 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.096 -3.680 -4.200 1.00 0.00 H new ATOM 0 HE1 TRP A 16 6.119 -4.642 -6.594 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.650 -7.418 -3.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.809 -6.758 -8.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.066 -8.890 -5.518 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.142 -8.567 -7.726 1.00 0.00 H new ATOM 77 N CYS A 17 2.205 -3.614 -0.078 1.00 0.00 N ATOM 78 CA CYS A 17 2.060 -3.268 1.377 1.00 0.00 C ATOM 79 C CYS A 17 1.474 -4.457 2.143 1.00 0.00 C ATOM 80 O CYS A 17 0.608 -5.156 1.657 1.00 0.00 O ATOM 81 CB CYS A 17 1.124 -2.065 1.514 1.00 0.00 C ATOM 82 SG CYS A 17 1.883 -0.621 0.732 1.00 0.00 S ATOM 0 H CYS A 17 1.371 -4.012 -0.509 1.00 0.00 H new ATOM 0 HA CYS A 17 3.040 -3.027 1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.164 -2.283 1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.928 -1.861 2.567 1.00 0.00 H new ATOM 0 HG CYS A 17 1.088 0.402 0.845 1.00 0.00 H new ATOM 88 N SER A 18 1.942 -4.691 3.341 1.00 0.00 N ATOM 89 CA SER A 18 1.421 -5.832 4.149 1.00 0.00 C ATOM 90 C SER A 18 0.015 -5.489 4.674 1.00 0.00 C ATOM 91 O SER A 18 -0.350 -4.336 4.772 1.00 0.00 O ATOM 92 CB SER A 18 2.384 -6.085 5.324 1.00 0.00 C ATOM 93 OG SER A 18 3.060 -4.875 5.639 1.00 0.00 O ATOM 0 H SER A 18 2.667 -4.137 3.797 1.00 0.00 H new ATOM 0 HA SER A 18 1.354 -6.730 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.832 -6.444 6.192 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.103 -6.860 5.061 1.00 0.00 H new ATOM 0 HG SER A 18 2.406 -4.153 5.743 1.00 0.00 H new ATOM 99 N PRO A 19 -0.766 -6.490 5.012 1.00 0.00 N ATOM 100 CA PRO A 19 -2.154 -6.294 5.542 1.00 0.00 C ATOM 101 C PRO A 19 -2.187 -5.421 6.808 1.00 0.00 C ATOM 102 O PRO A 19 -3.177 -4.781 7.100 1.00 0.00 O ATOM 103 CB PRO A 19 -2.639 -7.728 5.855 1.00 0.00 C ATOM 104 CG PRO A 19 -1.394 -8.556 5.917 1.00 0.00 C ATOM 105 CD PRO A 19 -0.426 -7.919 4.929 1.00 0.00 C ATOM 0 HA PRO A 19 -2.785 -5.770 4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.183 -7.763 6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.317 -8.092 5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.978 -8.562 6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.600 -9.593 5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.612 -8.104 5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.563 -8.309 3.920 1.00 0.00 H new ATOM 113 N GLN A 20 -1.125 -5.401 7.568 1.00 0.00 N ATOM 114 CA GLN A 20 -1.128 -4.582 8.810 1.00 0.00 C ATOM 115 C GLN A 20 -1.364 -3.121 8.434 1.00 0.00 C ATOM 116 O GLN A 20 -2.155 -2.429 9.044 1.00 0.00 O ATOM 117 CB GLN A 20 0.229 -4.711 9.499 1.00 0.00 C ATOM 118 CG GLN A 20 0.408 -6.135 10.025 1.00 0.00 C ATOM 119 CD GLN A 20 1.784 -6.260 10.684 1.00 0.00 C ATOM 120 OE1 GLN A 20 2.761 -5.747 10.176 1.00 0.00 O ATOM 121 NE2 GLN A 20 1.905 -6.922 11.802 1.00 0.00 N ATOM 0 H GLN A 20 -0.262 -5.913 7.383 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.914 -4.926 9.483 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.028 -4.469 8.798 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.299 -3.998 10.321 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.376 -6.371 10.745 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.316 -6.851 9.208 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.086 -7.354 12.230 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.819 -7.008 12.248 1.00 0.00 H new ATOM 130 N GLU A 21 -0.698 -2.654 7.419 1.00 0.00 N ATOM 131 CA GLU A 21 -0.898 -1.246 6.986 1.00 0.00 C ATOM 132 C GLU A 21 -2.305 -1.092 6.404 1.00 0.00 C ATOM 133 O GLU A 21 -2.968 -0.095 6.609 1.00 0.00 O ATOM 134 CB GLU A 21 0.140 -0.884 5.920 1.00 0.00 C ATOM 135 CG GLU A 21 1.523 -0.735 6.565 1.00 0.00 C ATOM 136 CD GLU A 21 2.037 -2.104 7.009 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.522 -3.096 6.520 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.938 -2.137 7.831 1.00 0.00 O ATOM 0 H GLU A 21 -0.023 -3.186 6.870 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.781 -0.581 7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.169 -1.657 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.142 0.046 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.219 -0.288 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.465 -0.063 7.421 1.00 0.00 H new ATOM 145 N ILE A 22 -2.752 -2.062 5.654 1.00 0.00 N ATOM 146 CA ILE A 22 -4.104 -1.961 5.033 1.00 0.00 C ATOM 147 C ILE A 22 -5.196 -2.046 6.105 1.00 0.00 C ATOM 148 O ILE A 22 -6.054 -1.190 6.189 1.00 0.00 O ATOM 149 CB ILE A 22 -4.286 -3.108 4.036 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.192 -3.025 2.966 1.00 0.00 C ATOM 151 CG2 ILE A 22 -5.652 -2.985 3.357 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.226 -4.271 2.072 1.00 0.00 C ATOM 0 H ILE A 22 -2.240 -2.919 5.444 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.187 -1.002 4.522 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.222 -4.059 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.334 -2.130 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.215 -2.937 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.780 -3.802 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.438 -3.032 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.711 -2.033 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.444 -4.198 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.061 -5.160 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.197 -4.341 1.583 1.00 0.00 H new ATOM 164 N MET A 23 -5.197 -3.078 6.914 1.00 0.00 N ATOM 165 CA MET A 23 -6.263 -3.209 7.950 1.00 0.00 C ATOM 166 C MET A 23 -6.183 -2.050 8.944 1.00 0.00 C ATOM 167 O MET A 23 -7.116 -1.796 9.681 1.00 0.00 O ATOM 168 CB MET A 23 -6.119 -4.557 8.675 1.00 0.00 C ATOM 169 CG MET A 23 -4.898 -4.546 9.605 1.00 0.00 C ATOM 170 SD MET A 23 -5.389 -3.883 11.220 1.00 0.00 S ATOM 171 CE MET A 23 -4.300 -4.908 12.238 1.00 0.00 C ATOM 0 H MET A 23 -4.508 -3.830 6.900 1.00 0.00 H new ATOM 0 HA MET A 23 -7.239 -3.174 7.465 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.020 -4.763 9.253 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.018 -5.360 7.944 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.502 -5.555 9.717 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.103 -3.937 9.175 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.443 -4.658 13.289 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.537 -5.960 12.079 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.262 -4.724 11.960 1.00 0.00 H new ATOM 181 N ALA A 24 -5.104 -1.318 8.950 1.00 0.00 N ATOM 182 CA ALA A 24 -5.013 -0.154 9.874 1.00 0.00 C ATOM 183 C ALA A 24 -5.778 1.001 9.227 1.00 0.00 C ATOM 184 O ALA A 24 -5.973 2.049 9.808 1.00 0.00 O ATOM 185 CB ALA A 24 -3.548 0.241 10.069 1.00 0.00 C ATOM 0 H ALA A 24 -4.287 -1.474 8.360 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.434 -0.401 10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.488 1.093 10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.998 -0.599 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.113 0.511 9.107 1.00 0.00 H new ATOM 191 N ALA A 25 -6.214 0.791 8.015 1.00 0.00 N ATOM 192 CA ALA A 25 -6.977 1.840 7.286 1.00 0.00 C ATOM 193 C ALA A 25 -8.431 1.830 7.759 1.00 0.00 C ATOM 194 O ALA A 25 -9.064 0.796 7.821 1.00 0.00 O ATOM 195 CB ALA A 25 -6.933 1.553 5.784 1.00 0.00 C ATOM 0 H ALA A 25 -6.071 -0.074 7.494 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.533 2.816 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.492 2.322 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.898 1.555 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.378 0.578 5.587 1.00 0.00 H new ATOM 201 N ASP A 26 -8.968 2.970 8.089 1.00 0.00 N ATOM 202 CA ASP A 26 -10.382 3.015 8.552 1.00 0.00 C ATOM 203 C ASP A 26 -11.277 2.474 7.437 1.00 0.00 C ATOM 204 O ASP A 26 -12.228 1.758 7.679 1.00 0.00 O ATOM 205 CB ASP A 26 -10.776 4.460 8.864 1.00 0.00 C ATOM 206 CG ASP A 26 -12.225 4.499 9.356 1.00 0.00 C ATOM 207 OD1 ASP A 26 -12.893 3.482 9.253 1.00 0.00 O ATOM 208 OD2 ASP A 26 -12.643 5.544 9.825 1.00 0.00 O ATOM 0 H ASP A 26 -8.490 3.871 8.058 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.497 2.412 9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.112 4.874 9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.666 5.079 7.973 1.00 0.00 H new ATOM 213 N GLY A 27 -10.977 2.818 6.216 1.00 0.00 N ATOM 214 CA GLY A 27 -11.799 2.335 5.072 1.00 0.00 C ATOM 215 C GLY A 27 -11.834 0.806 5.071 1.00 0.00 C ATOM 216 O GLY A 27 -12.744 0.203 4.538 1.00 0.00 O ATOM 0 H GLY A 27 -10.192 3.417 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.812 2.731 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.382 2.699 4.133 1.00 0.00 H new ATOM 220 N MET A 28 -10.846 0.176 5.661 1.00 0.00 N ATOM 221 CA MET A 28 -10.801 -1.322 5.699 1.00 0.00 C ATOM 222 C MET A 28 -10.757 -1.788 7.161 1.00 0.00 C ATOM 223 O MET A 28 -9.706 -2.109 7.679 1.00 0.00 O ATOM 224 CB MET A 28 -9.539 -1.807 4.979 1.00 0.00 C ATOM 225 CG MET A 28 -9.380 -1.072 3.647 1.00 0.00 C ATOM 226 SD MET A 28 -8.385 -2.086 2.527 1.00 0.00 S ATOM 227 CE MET A 28 -8.842 -1.240 0.999 1.00 0.00 C ATOM 0 H MET A 28 -10.062 0.639 6.122 1.00 0.00 H new ATOM 0 HA MET A 28 -11.685 -1.729 5.208 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.664 -1.634 5.606 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.600 -2.881 4.806 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.358 -0.875 3.207 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.901 -0.106 3.805 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.228 -1.613 0.179 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.893 -1.427 0.780 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.681 -0.168 1.114 1.00 0.00 H new ATOM 237 N PRO A 29 -11.885 -1.818 7.827 1.00 0.00 N ATOM 238 CA PRO A 29 -11.970 -2.243 9.257 1.00 0.00 C ATOM 239 C PRO A 29 -11.985 -3.761 9.417 1.00 0.00 C ATOM 240 O PRO A 29 -12.121 -4.496 8.460 1.00 0.00 O ATOM 241 CB PRO A 29 -13.304 -1.659 9.705 1.00 0.00 C ATOM 242 CG PRO A 29 -14.154 -1.738 8.481 1.00 0.00 C ATOM 243 CD PRO A 29 -13.218 -1.453 7.302 1.00 0.00 C ATOM 0 HA PRO A 29 -11.111 -1.904 9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.734 -2.229 10.529 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.195 -0.631 10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.613 -2.722 8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.965 -1.011 8.521 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.482 -2.047 6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.258 -0.406 7.001 1.00 0.00 H new ATOM 251 N GLY A 30 -11.832 -4.235 10.625 1.00 0.00 N ATOM 252 CA GLY A 30 -11.820 -5.703 10.869 1.00 0.00 C ATOM 253 C GLY A 30 -10.371 -6.143 11.011 1.00 0.00 C ATOM 254 O GLY A 30 -9.462 -5.410 10.678 1.00 0.00 O ATOM 0 H GLY A 30 -11.714 -3.660 11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.382 -5.944 11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.300 -6.230 10.044 1.00 0.00 H new ATOM 258 N SER A 31 -10.134 -7.317 11.508 1.00 0.00 N ATOM 259 CA SER A 31 -8.728 -7.768 11.668 1.00 0.00 C ATOM 260 C SER A 31 -8.131 -8.024 10.291 1.00 0.00 C ATOM 261 O SER A 31 -8.689 -7.643 9.282 1.00 0.00 O ATOM 262 CB SER A 31 -8.691 -9.059 12.487 1.00 0.00 C ATOM 263 OG SER A 31 -9.186 -10.131 11.693 1.00 0.00 O ATOM 0 H SER A 31 -10.846 -7.982 11.809 1.00 0.00 H new ATOM 0 HA SER A 31 -8.153 -7.000 12.185 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.671 -9.270 12.809 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.294 -8.949 13.388 1.00 0.00 H new ATOM 0 HG SER A 31 -9.163 -10.961 12.213 1.00 0.00 H new ATOM 269 N VAL A 32 -6.992 -8.643 10.236 1.00 0.00 N ATOM 270 CA VAL A 32 -6.359 -8.892 8.920 1.00 0.00 C ATOM 271 C VAL A 32 -7.316 -9.710 8.044 1.00 0.00 C ATOM 272 O VAL A 32 -7.532 -9.390 6.894 1.00 0.00 O ATOM 273 CB VAL A 32 -5.043 -9.648 9.133 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.491 -10.136 7.786 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.031 -8.706 9.798 1.00 0.00 C ATOM 0 H VAL A 32 -6.473 -8.987 11.044 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.147 -7.948 8.418 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.219 -10.513 9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.556 -10.672 7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.214 -10.803 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.310 -9.280 7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.090 -9.234 9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.860 -7.843 9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.423 -8.371 10.758 1.00 0.00 H new ATOM 285 N ALA A 33 -7.900 -10.753 8.565 1.00 0.00 N ATOM 286 CA ALA A 33 -8.847 -11.560 7.739 1.00 0.00 C ATOM 287 C ALA A 33 -10.026 -10.682 7.300 1.00 0.00 C ATOM 288 O ALA A 33 -10.500 -10.774 6.190 1.00 0.00 O ATOM 289 CB ALA A 33 -9.369 -12.741 8.559 1.00 0.00 C ATOM 0 H ALA A 33 -7.765 -11.082 9.521 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.325 -11.934 6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.060 -13.328 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.533 -13.369 8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.887 -12.369 9.443 1.00 0.00 H new ATOM 295 N GLY A 34 -10.520 -9.831 8.157 1.00 0.00 N ATOM 296 CA GLY A 34 -11.669 -8.972 7.746 1.00 0.00 C ATOM 297 C GLY A 34 -11.312 -8.275 6.434 1.00 0.00 C ATOM 298 O GLY A 34 -12.120 -8.163 5.531 1.00 0.00 O ATOM 0 H GLY A 34 -10.185 -9.693 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.567 -9.576 7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.886 -8.235 8.519 1.00 0.00 H new ATOM 302 N VAL A 35 -10.094 -7.833 6.308 1.00 0.00 N ATOM 303 CA VAL A 35 -9.674 -7.175 5.043 1.00 0.00 C ATOM 304 C VAL A 35 -9.769 -8.208 3.912 1.00 0.00 C ATOM 305 O VAL A 35 -10.189 -7.905 2.814 1.00 0.00 O ATOM 306 CB VAL A 35 -8.228 -6.679 5.178 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.689 -6.251 3.809 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.180 -5.484 6.138 1.00 0.00 C ATOM 0 H VAL A 35 -9.372 -7.899 7.026 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.317 -6.322 4.826 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.612 -7.489 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.662 -5.901 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.714 -7.101 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.307 -5.447 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.152 -5.134 6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.803 -4.679 5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.550 -5.789 7.117 1.00 0.00 H new ATOM 318 N HIS A 36 -9.380 -9.431 4.181 1.00 0.00 N ATOM 319 CA HIS A 36 -9.450 -10.489 3.128 1.00 0.00 C ATOM 320 C HIS A 36 -10.903 -10.649 2.675 1.00 0.00 C ATOM 321 O HIS A 36 -11.177 -10.940 1.527 1.00 0.00 O ATOM 322 CB HIS A 36 -8.956 -11.835 3.687 1.00 0.00 C ATOM 323 CG HIS A 36 -7.457 -11.846 3.785 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.768 -11.233 4.821 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.505 -12.428 2.995 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.456 -11.465 4.622 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.243 -12.191 3.524 1.00 0.00 N ATOM 0 H HIS A 36 -9.018 -9.741 5.083 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.818 -10.195 2.290 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.392 -12.009 4.671 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.290 -12.648 3.042 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.179 -10.705 5.591 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.705 -12.989 2.094 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.672 -11.107 5.273 1.00 0.00 H new ATOM 335 N TYR A 37 -11.835 -10.475 3.571 1.00 0.00 N ATOM 336 CA TYR A 37 -13.263 -10.636 3.191 1.00 0.00 C ATOM 337 C TYR A 37 -13.604 -9.641 2.082 1.00 0.00 C ATOM 338 O TYR A 37 -14.189 -9.999 1.083 1.00 0.00 O ATOM 339 CB TYR A 37 -14.146 -10.384 4.418 1.00 0.00 C ATOM 340 CG TYR A 37 -15.604 -10.544 4.054 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.217 -11.799 4.156 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.350 -9.435 3.637 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.573 -11.945 3.840 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.706 -9.582 3.318 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.318 -10.838 3.420 1.00 0.00 C ATOM 346 OH TYR A 37 -19.656 -10.983 3.111 1.00 0.00 O ATOM 0 H TYR A 37 -11.668 -10.229 4.547 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.440 -11.649 2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.884 -11.082 5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.968 -9.380 4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.643 -12.655 4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.880 -8.466 3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.044 -12.913 3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.280 -8.727 2.993 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.024 -10.117 2.838 1.00 0.00 H new ATOM 356 N ARG A 38 -13.233 -8.402 2.228 1.00 0.00 N ATOM 357 CA ARG A 38 -13.539 -7.424 1.146 1.00 0.00 C ATOM 358 C ARG A 38 -12.762 -7.818 -0.112 1.00 0.00 C ATOM 359 O ARG A 38 -13.258 -7.735 -1.219 1.00 0.00 O ATOM 360 CB ARG A 38 -13.117 -6.022 1.586 1.00 0.00 C ATOM 361 CG ARG A 38 -14.033 -5.562 2.716 1.00 0.00 C ATOM 362 CD ARG A 38 -13.711 -4.112 3.082 1.00 0.00 C ATOM 363 NE ARG A 38 -14.501 -3.708 4.294 1.00 0.00 N ATOM 364 CZ ARG A 38 -15.807 -3.795 4.323 1.00 0.00 C ATOM 365 NH1 ARG A 38 -16.483 -4.036 3.233 1.00 0.00 N ATOM 366 NH2 ARG A 38 -16.445 -3.580 5.440 1.00 0.00 N ATOM 0 H ARG A 38 -12.738 -8.026 3.037 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.609 -7.428 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.080 -6.028 1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.177 -5.329 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.076 -5.647 2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.903 -6.205 3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.644 -4.005 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.948 -3.454 2.246 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.008 -3.357 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.994 -4.159 2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -17.500 -4.102 3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.927 -3.345 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.462 -3.647 5.467 1.00 0.00 H new ATOM 380 N ALA A 39 -11.537 -8.234 0.059 1.00 0.00 N ATOM 381 CA ALA A 39 -10.694 -8.627 -1.108 1.00 0.00 C ATOM 382 C ALA A 39 -11.166 -9.965 -1.682 1.00 0.00 C ATOM 383 O ALA A 39 -10.599 -10.473 -2.629 1.00 0.00 O ATOM 384 CB ALA A 39 -9.240 -8.759 -0.653 1.00 0.00 C ATOM 0 H ALA A 39 -11.079 -8.320 0.966 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.779 -7.863 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.618 -9.046 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.895 -7.804 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.169 -9.521 0.123 1.00 0.00 H new ATOM 390 N ASN A 40 -12.201 -10.539 -1.133 1.00 0.00 N ATOM 391 CA ASN A 40 -12.694 -11.838 -1.676 1.00 0.00 C ATOM 392 C ASN A 40 -13.434 -11.584 -2.998 1.00 0.00 C ATOM 393 O ASN A 40 -13.369 -12.366 -3.925 1.00 0.00 O ATOM 394 CB ASN A 40 -13.625 -12.523 -0.644 1.00 0.00 C ATOM 395 CG ASN A 40 -15.087 -12.057 -0.790 1.00 0.00 C ATOM 396 OD1 ASN A 40 -15.722 -12.259 -1.913 1.00 0.00 O flip ATOM 397 ND2 ASN A 40 -15.661 -11.518 0.133 1.00 0.00 N flip ATOM 0 H ASN A 40 -12.723 -10.169 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.852 -12.503 -1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.574 -13.604 -0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.273 -12.304 0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.172 -11.357 1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -16.633 -11.226 0.029 1.00 0.00 H new ATOM 404 N VAL A 41 -14.159 -10.501 -3.065 1.00 0.00 N ATOM 405 CA VAL A 41 -14.941 -10.185 -4.297 1.00 0.00 C ATOM 406 C VAL A 41 -14.012 -9.807 -5.458 1.00 0.00 C ATOM 407 O VAL A 41 -14.040 -10.423 -6.506 1.00 0.00 O ATOM 408 CB VAL A 41 -15.879 -9.015 -3.994 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.588 -8.569 -5.275 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.919 -9.457 -2.964 1.00 0.00 C ATOM 0 H VAL A 41 -14.245 -9.816 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.510 -11.067 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.299 -8.181 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.254 -7.736 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.847 -8.254 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.168 -9.399 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.590 -8.626 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.494 -10.292 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.415 -9.768 -2.049 1.00 0.00 H new ATOM 420 N GLN A 42 -13.199 -8.797 -5.297 1.00 0.00 N ATOM 421 CA GLN A 42 -12.292 -8.387 -6.411 1.00 0.00 C ATOM 422 C GLN A 42 -11.064 -9.297 -6.468 1.00 0.00 C ATOM 423 O GLN A 42 -10.715 -9.958 -5.510 1.00 0.00 O ATOM 424 CB GLN A 42 -11.854 -6.932 -6.210 1.00 0.00 C ATOM 425 CG GLN A 42 -13.038 -5.997 -6.481 1.00 0.00 C ATOM 426 CD GLN A 42 -13.374 -6.014 -7.976 1.00 0.00 C ATOM 427 OE1 GLN A 42 -14.482 -6.338 -8.358 1.00 0.00 O ATOM 428 NE2 GLN A 42 -12.458 -5.680 -8.843 1.00 0.00 N ATOM 0 H GLN A 42 -13.123 -8.239 -4.446 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.832 -8.477 -7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.490 -6.788 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.029 -6.694 -6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.904 -6.313 -5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.794 -4.983 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.528 -5.408 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.672 -5.691 -9.840 1.00 0.00 H new ATOM 437 N GLY A 43 -10.407 -9.330 -7.600 1.00 0.00 N ATOM 438 CA GLY A 43 -9.195 -10.185 -7.759 1.00 0.00 C ATOM 439 C GLY A 43 -7.957 -9.387 -7.353 1.00 0.00 C ATOM 440 O GLY A 43 -7.132 -9.030 -8.172 1.00 0.00 O ATOM 0 H GLY A 43 -10.663 -8.794 -8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.284 -11.079 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.104 -10.518 -8.793 1.00 0.00 H new ATOM 444 N TRP A 44 -7.830 -9.107 -6.092 1.00 0.00 N ATOM 445 CA TRP A 44 -6.656 -8.329 -5.599 1.00 0.00 C ATOM 446 C TRP A 44 -5.359 -9.070 -5.932 1.00 0.00 C ATOM 447 O TRP A 44 -5.303 -10.282 -5.904 1.00 0.00 O ATOM 448 CB TRP A 44 -6.753 -8.194 -4.074 1.00 0.00 C ATOM 449 CG TRP A 44 -7.712 -7.114 -3.703 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.794 -6.740 -4.424 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.689 -6.266 -2.525 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.440 -5.714 -3.756 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.795 -5.388 -2.579 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.821 -6.177 -1.424 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.030 -4.453 -1.572 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.051 -5.242 -0.413 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.154 -4.381 -0.484 1.00 0.00 C ATOM 0 H TRP A 44 -8.494 -9.385 -5.370 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.653 -7.349 -6.076 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.076 -9.140 -3.640 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.769 -7.973 -3.660 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.103 -7.171 -5.365 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.287 -5.256 -4.091 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.969 -6.837 -1.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.881 -3.790 -1.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.376 -5.182 0.428 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.328 -3.661 0.302 1.00 0.00 H new ATOM 468 N THR A 45 -4.303 -8.348 -6.202 1.00 0.00 N ATOM 469 CA THR A 45 -3.007 -9.021 -6.480 1.00 0.00 C ATOM 470 C THR A 45 -2.429 -9.475 -5.143 1.00 0.00 C ATOM 471 O THR A 45 -2.218 -8.674 -4.249 1.00 0.00 O ATOM 472 CB THR A 45 -2.035 -8.048 -7.155 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.507 -7.734 -8.458 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.647 -8.691 -7.253 1.00 0.00 C ATOM 0 H THR A 45 -4.285 -7.329 -6.241 1.00 0.00 H new ATOM 0 HA THR A 45 -3.159 -9.869 -7.148 1.00 0.00 H new ATOM 0 HB THR A 45 -1.968 -7.135 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.886 -7.110 -8.889 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.042 -7.997 -7.734 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.285 -8.928 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.711 -9.606 -7.842 1.00 0.00 H new ATOM 482 N LYS A 46 -2.194 -10.753 -4.992 1.00 0.00 N ATOM 483 CA LYS A 46 -1.655 -11.284 -3.700 1.00 0.00 C ATOM 484 C LYS A 46 -0.426 -12.144 -3.975 1.00 0.00 C ATOM 485 O LYS A 46 -0.312 -12.767 -5.012 1.00 0.00 O ATOM 486 CB LYS A 46 -2.724 -12.161 -3.041 1.00 0.00 C ATOM 487 CG LYS A 46 -4.033 -11.378 -2.919 1.00 0.00 C ATOM 488 CD LYS A 46 -5.031 -12.168 -2.064 1.00 0.00 C ATOM 489 CE LYS A 46 -5.347 -13.511 -2.730 1.00 0.00 C ATOM 490 NZ LYS A 46 -6.634 -14.038 -2.193 1.00 0.00 N ATOM 0 H LYS A 46 -2.353 -11.458 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.387 -10.453 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.883 -13.063 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.388 -12.481 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.844 -10.404 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.452 -11.195 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.618 -12.335 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.948 -11.592 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.415 -13.387 -3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.543 -14.222 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.851 -14.950 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.553 -14.171 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.398 -13.362 -2.396 1.00 0.00 H new ATOM 504 N ARG A 47 0.490 -12.195 -3.044 1.00 0.00 N ATOM 505 CA ARG A 47 1.714 -13.032 -3.239 1.00 0.00 C ATOM 506 C ARG A 47 2.086 -13.689 -1.908 1.00 0.00 C ATOM 507 O ARG A 47 2.149 -13.039 -0.876 1.00 0.00 O ATOM 508 CB ARG A 47 2.871 -12.148 -3.741 1.00 0.00 C ATOM 509 CG ARG A 47 3.484 -11.354 -2.580 1.00 0.00 C ATOM 510 CD ARG A 47 4.404 -10.258 -3.123 1.00 0.00 C ATOM 511 NE ARG A 47 5.621 -10.876 -3.722 1.00 0.00 N ATOM 512 CZ ARG A 47 6.408 -10.162 -4.479 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.119 -8.912 -4.720 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.484 -10.694 -4.994 1.00 0.00 N ATOM 0 H ARG A 47 0.445 -11.694 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 47 1.520 -13.807 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.635 -12.770 -4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.507 -11.462 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.694 -10.910 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.047 -12.023 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.878 -9.666 -3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.687 -9.577 -2.321 1.00 0.00 H new ATOM 0 HE ARG A 47 5.838 -11.856 -3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.280 -8.496 -4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.733 -8.352 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.711 -11.670 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.097 -10.133 -5.585 1.00 0.00 H new ATOM 678 N VAL A 58 2.218 -12.201 3.708 1.00 0.00 N ATOM 679 CA VAL A 58 1.302 -11.904 2.553 1.00 0.00 C ATOM 680 C VAL A 58 1.339 -10.408 2.222 1.00 0.00 C ATOM 681 O VAL A 58 1.349 -9.571 3.103 1.00 0.00 O ATOM 682 CB VAL A 58 -0.125 -12.297 2.946 1.00 0.00 C ATOM 683 CG1 VAL A 58 -1.070 -12.082 1.761 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.148 -13.772 3.353 1.00 0.00 C ATOM 0 HA VAL A 58 1.625 -12.469 1.678 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.452 -11.678 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.083 -12.364 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.054 -11.032 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.746 -12.697 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.162 -14.056 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.182 -14.386 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.520 -13.926 4.201 1.00 0.00 H new ATOM 694 N GLU A 59 1.357 -10.067 0.950 1.00 0.00 N ATOM 695 CA GLU A 59 1.394 -8.618 0.546 1.00 0.00 C ATOM 696 C GLU A 59 0.352 -8.347 -0.555 1.00 0.00 C ATOM 697 O GLU A 59 -0.076 -9.247 -1.255 1.00 0.00 O ATOM 698 CB GLU A 59 2.788 -8.277 0.014 1.00 0.00 C ATOM 699 CG GLU A 59 3.798 -8.296 1.165 1.00 0.00 C ATOM 700 CD GLU A 59 5.201 -8.037 0.615 1.00 0.00 C ATOM 701 OE1 GLU A 59 5.521 -6.883 0.382 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.934 -8.996 0.435 1.00 0.00 O ATOM 0 H GLU A 59 1.348 -10.729 0.174 1.00 0.00 H new ATOM 0 HA GLU A 59 1.165 -8.001 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.081 -8.995 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.778 -7.294 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.539 -7.537 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.767 -9.259 1.674 1.00 0.00 H new ATOM 709 N TYR A 60 -0.053 -7.099 -0.706 1.00 0.00 N ATOM 710 CA TYR A 60 -1.068 -6.724 -1.750 1.00 0.00 C ATOM 711 C TYR A 60 -0.536 -5.542 -2.569 1.00 0.00 C ATOM 712 O TYR A 60 0.198 -4.715 -2.066 1.00 0.00 O ATOM 713 CB TYR A 60 -2.357 -6.280 -1.063 1.00 0.00 C ATOM 714 CG TYR A 60 -2.905 -7.413 -0.239 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.510 -7.564 1.095 1.00 0.00 C ATOM 716 CD2 TYR A 60 -3.812 -8.310 -0.809 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.023 -8.618 1.858 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.325 -9.362 -0.046 1.00 0.00 C ATOM 719 CZ TYR A 60 -3.930 -9.515 1.285 1.00 0.00 C ATOM 720 OH TYR A 60 -4.434 -10.551 2.033 1.00 0.00 O ATOM 0 H TYR A 60 0.282 -6.318 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.256 -7.582 -2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.164 -5.415 -0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.090 -5.971 -1.808 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.811 -6.868 1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.116 -8.190 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.719 -8.739 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.026 -10.056 -0.485 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.767 -10.832 2.694 1.00 0.00 H new ATOM 730 N ASP A 61 -0.908 -5.442 -3.822 1.00 0.00 N ATOM 731 CA ASP A 61 -0.422 -4.291 -4.655 1.00 0.00 C ATOM 732 C ASP A 61 -1.472 -3.174 -4.631 1.00 0.00 C ATOM 733 O ASP A 61 -2.551 -3.320 -5.172 1.00 0.00 O ATOM 734 CB ASP A 61 -0.223 -4.742 -6.105 1.00 0.00 C ATOM 735 CG ASP A 61 0.602 -6.030 -6.144 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.639 -6.717 -5.139 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.174 -6.313 -7.185 1.00 0.00 O ATOM 0 H ASP A 61 -1.522 -6.100 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 61 0.524 -3.933 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.191 -4.906 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.282 -3.960 -6.672 1.00 0.00 H new ATOM 742 N VAL A 62 -1.172 -2.059 -4.017 1.00 0.00 N ATOM 743 CA VAL A 62 -2.155 -0.935 -3.962 1.00 0.00 C ATOM 744 C VAL A 62 -2.354 -0.327 -5.358 1.00 0.00 C ATOM 745 O VAL A 62 -3.360 0.292 -5.636 1.00 0.00 O ATOM 746 CB VAL A 62 -1.637 0.143 -3.005 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.565 1.359 -3.047 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.600 -0.416 -1.580 1.00 0.00 C ATOM 0 H VAL A 62 -0.284 -1.877 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.112 -1.319 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.634 0.442 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.194 2.124 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.594 1.760 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.569 1.061 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.231 0.350 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.604 -0.716 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.938 -1.281 -1.546 1.00 0.00 H new ATOM 758 N MET A 63 -1.388 -0.469 -6.222 1.00 0.00 N ATOM 759 CA MET A 63 -1.505 0.135 -7.584 1.00 0.00 C ATOM 760 C MET A 63 -2.561 -0.617 -8.411 1.00 0.00 C ATOM 761 O MET A 63 -3.020 -0.131 -9.425 1.00 0.00 O ATOM 762 CB MET A 63 -0.132 0.054 -8.274 1.00 0.00 C ATOM 763 CG MET A 63 -0.185 0.674 -9.678 1.00 0.00 C ATOM 764 SD MET A 63 -0.673 2.418 -9.562 1.00 0.00 S ATOM 765 CE MET A 63 0.956 3.160 -9.846 1.00 0.00 C ATOM 0 H MET A 63 -0.521 -0.977 -6.046 1.00 0.00 H new ATOM 0 HA MET A 63 -1.817 1.176 -7.502 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.613 0.573 -7.671 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.183 -0.987 -8.344 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.789 0.591 -10.159 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.895 0.129 -10.300 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.872 4.246 -9.814 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.648 2.826 -9.072 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.330 2.854 -10.823 1.00 0.00 H new ATOM 775 N SER A 64 -2.958 -1.793 -7.989 1.00 0.00 N ATOM 776 CA SER A 64 -3.986 -2.565 -8.763 1.00 0.00 C ATOM 777 C SER A 64 -5.372 -2.400 -8.123 1.00 0.00 C ATOM 778 O SER A 64 -6.370 -2.812 -8.680 1.00 0.00 O ATOM 779 CB SER A 64 -3.607 -4.046 -8.764 1.00 0.00 C ATOM 780 OG SER A 64 -3.722 -4.564 -7.444 1.00 0.00 O ATOM 0 H SER A 64 -2.617 -2.252 -7.145 1.00 0.00 H new ATOM 0 HA SER A 64 -4.019 -2.185 -9.784 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.258 -4.599 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.587 -4.172 -9.128 1.00 0.00 H new ATOM 0 HG SER A 64 -3.141 -4.055 -6.841 1.00 0.00 H new ATOM 786 N MET A 65 -5.448 -1.800 -6.965 1.00 0.00 N ATOM 787 CA MET A 65 -6.778 -1.613 -6.311 1.00 0.00 C ATOM 788 C MET A 65 -7.501 -0.428 -6.972 1.00 0.00 C ATOM 789 O MET A 65 -6.866 0.530 -7.366 1.00 0.00 O ATOM 790 CB MET A 65 -6.591 -1.297 -4.820 1.00 0.00 C ATOM 791 CG MET A 65 -5.613 -2.284 -4.183 1.00 0.00 C ATOM 792 SD MET A 65 -6.401 -3.895 -3.981 1.00 0.00 S ATOM 793 CE MET A 65 -4.973 -4.716 -3.239 1.00 0.00 C ATOM 0 H MET A 65 -4.651 -1.432 -6.445 1.00 0.00 H new ATOM 0 HA MET A 65 -7.360 -2.528 -6.422 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.219 -0.279 -4.702 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.552 -1.346 -4.308 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.724 -2.381 -4.807 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.284 -1.908 -3.215 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.071 -5.795 -3.359 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.062 -4.377 -3.732 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.924 -4.472 -2.178 1.00 0.00 H new ATOM 803 N PRO A 66 -8.812 -0.459 -7.080 1.00 0.00 N ATOM 804 CA PRO A 66 -9.574 0.670 -7.682 1.00 0.00 C ATOM 805 C PRO A 66 -9.032 2.030 -7.222 1.00 0.00 C ATOM 806 O PRO A 66 -8.439 2.144 -6.168 1.00 0.00 O ATOM 807 CB PRO A 66 -10.997 0.451 -7.158 1.00 0.00 C ATOM 808 CG PRO A 66 -11.121 -1.030 -6.980 1.00 0.00 C ATOM 809 CD PRO A 66 -9.710 -1.553 -6.655 1.00 0.00 C ATOM 0 HA PRO A 66 -9.508 0.685 -8.770 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.156 0.976 -6.216 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.739 0.827 -7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.817 -1.267 -6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.509 -1.498 -7.885 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.600 -1.769 -5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.494 -2.477 -7.192 1.00 0.00 H new ATOM 817 N THR A 67 -9.232 3.061 -7.995 1.00 0.00 N ATOM 818 CA THR A 67 -8.731 4.404 -7.593 1.00 0.00 C ATOM 819 C THR A 67 -9.375 4.804 -6.263 1.00 0.00 C ATOM 820 O THR A 67 -8.742 5.381 -5.400 1.00 0.00 O ATOM 821 CB THR A 67 -9.102 5.423 -8.671 1.00 0.00 C ATOM 822 OG1 THR A 67 -8.547 5.011 -9.912 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.538 6.795 -8.298 1.00 0.00 C ATOM 0 H THR A 67 -9.722 3.031 -8.889 1.00 0.00 H new ATOM 0 HA THR A 67 -7.647 4.376 -7.478 1.00 0.00 H new ATOM 0 HB THR A 67 -10.187 5.487 -8.752 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.783 5.660 -10.607 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.804 7.519 -9.068 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.955 7.112 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.453 6.733 -8.218 1.00 0.00 H new ATOM 831 N LYS A 68 -10.636 4.511 -6.098 1.00 0.00 N ATOM 832 CA LYS A 68 -11.339 4.877 -4.834 1.00 0.00 C ATOM 833 C LYS A 68 -10.583 4.260 -3.653 1.00 0.00 C ATOM 834 O LYS A 68 -10.358 4.895 -2.637 1.00 0.00 O ATOM 835 CB LYS A 68 -12.760 4.305 -4.897 1.00 0.00 C ATOM 836 CG LYS A 68 -13.557 5.049 -5.974 1.00 0.00 C ATOM 837 CD LYS A 68 -14.979 4.487 -6.048 1.00 0.00 C ATOM 838 CE LYS A 68 -15.756 5.212 -7.152 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.123 4.628 -7.268 1.00 0.00 N ATOM 0 H LYS A 68 -11.213 4.031 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.379 5.959 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.726 3.239 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.250 4.409 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.589 6.114 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.064 4.945 -6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.949 3.417 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.483 4.615 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.822 6.276 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.229 5.121 -8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.649 5.121 -8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.050 3.618 -7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.625 4.737 -6.364 1.00 0.00 H new ATOM 853 N GLU A 69 -10.165 3.033 -3.792 1.00 0.00 N ATOM 854 CA GLU A 69 -9.398 2.375 -2.701 1.00 0.00 C ATOM 855 C GLU A 69 -8.075 3.122 -2.515 1.00 0.00 C ATOM 856 O GLU A 69 -7.596 3.304 -1.414 1.00 0.00 O ATOM 857 CB GLU A 69 -9.122 0.914 -3.079 1.00 0.00 C ATOM 858 CG GLU A 69 -8.483 0.180 -1.894 1.00 0.00 C ATOM 859 CD GLU A 69 -7.003 0.557 -1.779 1.00 0.00 C ATOM 860 OE1 GLU A 69 -6.448 1.025 -2.760 1.00 0.00 O ATOM 861 OE2 GLU A 69 -6.447 0.368 -0.709 1.00 0.00 O ATOM 0 H GLU A 69 -10.323 2.456 -4.618 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.969 2.399 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.051 0.421 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.460 0.872 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.005 0.437 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.583 -0.897 -2.027 1.00 0.00 H new ATOM 868 N ARG A 70 -7.481 3.544 -3.598 1.00 0.00 N ATOM 869 CA ARG A 70 -6.182 4.270 -3.519 1.00 0.00 C ATOM 870 C ARG A 70 -6.336 5.532 -2.663 1.00 0.00 C ATOM 871 O ARG A 70 -5.458 5.880 -1.903 1.00 0.00 O ATOM 872 CB ARG A 70 -5.735 4.670 -4.927 1.00 0.00 C ATOM 873 CG ARG A 70 -4.290 5.175 -4.876 1.00 0.00 C ATOM 874 CD ARG A 70 -3.886 5.703 -6.254 1.00 0.00 C ATOM 875 NE ARG A 70 -4.339 4.746 -7.301 1.00 0.00 N ATOM 876 CZ ARG A 70 -4.341 5.103 -8.555 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.869 6.270 -8.901 1.00 0.00 N ATOM 878 NH2 ARG A 70 -4.802 4.290 -9.466 1.00 0.00 N ATOM 0 H ARG A 70 -7.844 3.415 -4.543 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.438 3.616 -3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.810 3.817 -5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.390 5.447 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.195 5.964 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.622 4.369 -4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.330 6.684 -6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.805 5.830 -6.305 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.648 3.810 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.499 6.902 -8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.870 6.550 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.161 3.374 -9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.803 4.571 -10.447 1.00 0.00 H new ATOM 892 N GLU A 71 -7.437 6.228 -2.783 1.00 0.00 N ATOM 893 CA GLU A 71 -7.613 7.470 -1.971 1.00 0.00 C ATOM 894 C GLU A 71 -7.544 7.109 -0.489 1.00 0.00 C ATOM 895 O GLU A 71 -6.971 7.823 0.311 1.00 0.00 O ATOM 896 CB GLU A 71 -8.984 8.088 -2.262 1.00 0.00 C ATOM 897 CG GLU A 71 -9.010 8.665 -3.679 1.00 0.00 C ATOM 898 CD GLU A 71 -10.387 9.277 -3.948 1.00 0.00 C ATOM 899 OE1 GLU A 71 -11.111 9.497 -2.991 1.00 0.00 O ATOM 900 OE2 GLU A 71 -10.689 9.522 -5.104 1.00 0.00 O ATOM 0 H GLU A 71 -8.214 5.994 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.828 8.182 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.762 7.333 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.199 8.873 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.234 9.422 -3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.798 7.882 -4.407 1.00 0.00 H new ATOM 907 N GLN A 72 -8.131 6.007 -0.116 1.00 0.00 N ATOM 908 CA GLN A 72 -8.110 5.600 1.319 1.00 0.00 C ATOM 909 C GLN A 72 -6.670 5.363 1.788 1.00 0.00 C ATOM 910 O GLN A 72 -6.308 5.723 2.892 1.00 0.00 O ATOM 911 CB GLN A 72 -8.923 4.317 1.495 1.00 0.00 C ATOM 912 CG GLN A 72 -10.411 4.622 1.302 1.00 0.00 C ATOM 913 CD GLN A 72 -10.915 5.457 2.482 1.00 0.00 C ATOM 914 OE1 GLN A 72 -10.431 5.318 3.587 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.875 6.321 2.295 1.00 0.00 N ATOM 0 H GLN A 72 -8.625 5.370 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.546 6.399 1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.599 3.567 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.753 3.900 2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.565 5.162 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.978 3.694 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.282 6.438 1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.218 6.879 3.077 1.00 0.00 H new ATOM 924 N VAL A 73 -5.841 4.764 0.977 1.00 0.00 N ATOM 925 CA VAL A 73 -4.436 4.521 1.419 1.00 0.00 C ATOM 926 C VAL A 73 -3.714 5.863 1.545 1.00 0.00 C ATOM 927 O VAL A 73 -3.089 6.154 2.546 1.00 0.00 O ATOM 928 CB VAL A 73 -3.708 3.662 0.383 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.244 3.492 0.802 1.00 0.00 C ATOM 930 CG2 VAL A 73 -4.377 2.287 0.283 1.00 0.00 C ATOM 0 H VAL A 73 -6.070 4.436 0.039 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.443 4.005 2.379 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.755 4.153 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.723 2.880 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.767 4.470 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.199 3.004 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.854 1.681 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.337 1.791 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.417 2.410 -0.019 1.00 0.00 H new ATOM 940 N ILE A 74 -3.798 6.683 0.536 1.00 0.00 N ATOM 941 CA ILE A 74 -3.123 8.009 0.590 1.00 0.00 C ATOM 942 C ILE A 74 -3.694 8.814 1.756 1.00 0.00 C ATOM 943 O ILE A 74 -2.984 9.514 2.450 1.00 0.00 O ATOM 944 CB ILE A 74 -3.380 8.773 -0.712 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.856 7.970 -1.914 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.675 10.133 -0.660 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.379 7.595 -1.727 1.00 0.00 C ATOM 0 H ILE A 74 -4.307 6.491 -0.327 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.051 7.863 0.723 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.454 8.921 -0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.451 7.065 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.973 8.556 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.860 10.674 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.060 10.711 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.603 9.982 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.035 7.028 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.783 8.502 -1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.269 6.988 -0.828 1.00 0.00 H new ATOM 959 N ALA A 75 -4.979 8.737 1.960 1.00 0.00 N ATOM 960 CA ALA A 75 -5.599 9.515 3.063 1.00 0.00 C ATOM 961 C ALA A 75 -4.957 9.115 4.390 1.00 0.00 C ATOM 962 O ALA A 75 -4.639 9.954 5.208 1.00 0.00 O ATOM 963 CB ALA A 75 -7.101 9.221 3.114 1.00 0.00 C ATOM 0 H ALA A 75 -5.624 8.169 1.411 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.443 10.580 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.556 9.792 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.560 9.505 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.258 8.156 3.288 1.00 0.00 H new ATOM 969 N HIS A 76 -4.748 7.845 4.609 1.00 0.00 N ATOM 970 CA HIS A 76 -4.122 7.416 5.889 1.00 0.00 C ATOM 971 C HIS A 76 -2.742 8.057 6.002 1.00 0.00 C ATOM 972 O HIS A 76 -2.345 8.521 7.052 1.00 0.00 O ATOM 973 CB HIS A 76 -3.977 5.894 5.905 1.00 0.00 C ATOM 974 CG HIS A 76 -3.353 5.472 7.205 1.00 0.00 C ATOM 975 ND1 HIS A 76 -2.085 5.622 7.706 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -4.073 4.811 8.187 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -2.016 5.066 8.980 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -3.241 4.592 9.222 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.982 7.092 3.962 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.747 7.726 6.727 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.952 5.422 5.786 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.360 5.566 5.068 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.113 4.524 8.132 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.156 5.026 9.633 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.513 4.122 10.085 1.00 0.00 H new ATOM 986 N LEU A 77 -2.011 8.099 4.924 1.00 0.00 N ATOM 987 CA LEU A 77 -0.662 8.723 4.966 1.00 0.00 C ATOM 988 C LEU A 77 -0.830 10.234 5.136 1.00 0.00 C ATOM 989 O LEU A 77 -0.011 10.896 5.742 1.00 0.00 O ATOM 990 CB LEU A 77 0.083 8.421 3.662 1.00 0.00 C ATOM 991 CG LEU A 77 0.309 6.908 3.534 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.890 6.600 2.151 1.00 0.00 C ATOM 993 CD2 LEU A 77 1.277 6.414 4.627 1.00 0.00 C ATOM 0 H LEU A 77 -2.290 7.728 4.016 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.086 8.321 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.492 8.786 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.039 8.944 3.649 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.644 6.394 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.052 5.526 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.193 6.932 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.839 7.123 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.426 5.339 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.234 6.925 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.856 6.628 5.609 1.00 0.00 H new