USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1286 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 154 CYS SG : rot -180:sc= -0.356 USER MOD Set 1.2: A 162 CYS SG : rot 180:sc= 0.723 USER MOD Set 2.1: A 15 ASN :FLIP amide:sc= 0.528 F(o=0.45,f=0.99) USER MOD Set 2.2: A 150 TYR OH : rot 180:sc= 0.457 USER MOD Set 3.1: A 60 HIS : no HD1:sc= -0.173 K(o=-2.3,f=-2.9) USER MOD Set 3.2: A 80 HIS : no HE2:sc= 0.288 K(o=-2.3,f=-6.8) USER MOD Set 3.3: A 83 THR OG1 : rot -18:sc= 0.641 USER MOD Set 3.4: A 96 HIS : no HD1:sc= -3.02! C(o=-2.3!,f=-6.8!) USER MOD Set 4.1: A 70 THR OG1 : rot -150:sc= 0.323 USER MOD Set 4.2: A 78 TYR OH : rot 180:sc= -1.22 USER MOD Set 5.1: A 75 THR OG1 : rot 117:sc= -0.505 USER MOD Set 5.2: A 161 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 32:sc= 0.192 USER MOD Single : A 10 THR OG1 : rot 63:sc= 1 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.178 F(o=-1,f=-0.18) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= 1.48 (180deg=0.458) USER MOD Single : A 24 SER OG : rot 81:sc= 0.273 USER MOD Single : A 26 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-4.9!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -61:sc= 0.303 USER MOD Single : A 44 TYR OH : rot -80:sc= 0.516 USER MOD Single : A 51 TYR OH : rot -145:sc= -1.59! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 45:sc= 0.355 USER MOD Single : A 65 SER OG : rot 25:sc= 0.134 USER MOD Single : A 71 SER OG : rot 180:sc= -0.496 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.09) USER MOD Single : A 105 SER OG : rot -38:sc= 0.516 USER MOD Single : A 107 THR OG1 : rot -53:sc= 0.135 USER MOD Single : A 115 LYS NZ :NH3+ -159:sc= 0.491 (180deg=-0.188) USER MOD Single : A 116 THR OG1 : rot -150:sc= 0.0443 USER MOD Single : A 117 THR OG1 : rot -70:sc= 0.512 USER MOD Single : A 119 GLN : amide:sc= 0.324 X(o=0.32,f=-0.024) USER MOD Single : A 120 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.92) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot -170:sc= 0.786 USER MOD Single : A 128 MET CE :methyl -162:sc= -0.0555 (180deg=-0.399) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 ASN :FLIP amide:sc= -1.3 F(o=-2.7,f=-1.3) USER MOD Single : A 151 SER OG : rot -76:sc= 0.164 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 SER OG : rot 66:sc= 0.524 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 ASN :FLIP amide:sc= -1.68 F(o=-5.9!,f=-1.7) USER MOD Single : A 173 THR OG1 : rot -120:sc= -0.0251 USER MOD Single : A 176 THR OG1 : rot 48:sc= 0.379 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 -14.257 2.836 -15.502 1.00 34.21 N ATOM 60 CA THR A 5 -13.711 1.679 -14.754 1.00 63.23 C ATOM 61 C THR A 5 -12.338 1.233 -15.317 1.00 14.12 C ATOM 62 O THR A 5 -11.443 0.832 -14.563 1.00 70.15 O ATOM 63 CB THR A 5 -14.717 0.476 -14.807 1.00 2.44 C ATOM 64 OG1 THR A 5 -16.027 0.922 -14.427 1.00 74.41 O ATOM 65 CG2 THR A 5 -14.301 -0.692 -13.886 1.00 73.43 C ATOM 0 HA THR A 5 -13.569 1.993 -13.720 1.00 63.23 H new ATOM 0 HB THR A 5 -14.714 0.108 -15.833 1.00 2.44 H new ATOM 0 HG1 THR A 5 -16.151 1.852 -14.710 1.00 74.41 H new ATOM 0 HG21 THR A 5 -15.034 -1.495 -13.964 1.00 73.43 H new ATOM 0 HG22 THR A 5 -13.322 -1.063 -14.189 1.00 73.43 H new ATOM 0 HG23 THR A 5 -14.254 -0.343 -12.855 1.00 73.43 H new ATOM 73 N GLU A 6 -12.180 1.337 -16.649 1.00 32.23 N ATOM 74 CA GLU A 6 -10.970 0.881 -17.356 1.00 64.11 C ATOM 75 C GLU A 6 -9.769 1.833 -17.149 1.00 22.14 C ATOM 76 O GLU A 6 -8.649 1.458 -17.480 1.00 5.35 O ATOM 77 CB GLU A 6 -11.272 0.673 -18.863 1.00 1.23 C ATOM 78 CG GLU A 6 -11.723 1.942 -19.607 1.00 31.20 C ATOM 79 CD GLU A 6 -12.199 1.658 -21.041 1.00 24.53 C ATOM 80 OE1 GLU A 6 -11.362 1.629 -21.963 1.00 11.51 O ATOM 81 OE2 GLU A 6 -13.411 1.451 -21.251 1.00 54.51 O ATOM 0 H GLU A 6 -12.887 1.739 -17.265 1.00 32.23 H new ATOM 0 HA GLU A 6 -10.681 -0.076 -16.923 1.00 64.11 H new ATOM 0 HB2 GLU A 6 -10.378 0.281 -19.349 1.00 1.23 H new ATOM 0 HB3 GLU A 6 -12.048 -0.086 -18.963 1.00 1.23 H new ATOM 0 HG2 GLU A 6 -12.530 2.417 -19.049 1.00 31.20 H new ATOM 0 HG3 GLU A 6 -10.896 2.652 -19.638 1.00 31.20 H new ATOM 88 N ASP A 7 -9.997 3.061 -16.609 1.00 54.03 N ATOM 89 CA ASP A 7 -8.886 3.964 -16.192 1.00 22.10 C ATOM 90 C ASP A 7 -8.081 3.316 -15.062 1.00 55.43 C ATOM 91 O ASP A 7 -6.849 3.389 -15.046 1.00 53.33 O ATOM 92 CB ASP A 7 -9.407 5.341 -15.721 1.00 63.21 C ATOM 93 CG ASP A 7 -10.071 6.126 -16.849 1.00 62.42 C ATOM 94 OD1 ASP A 7 -9.372 6.874 -17.566 1.00 44.22 O ATOM 95 OD2 ASP A 7 -11.288 5.996 -17.030 1.00 0.21 O ATOM 0 H ASP A 7 -10.929 3.446 -16.453 1.00 54.03 H new ATOM 0 HA ASP A 7 -8.251 4.122 -17.063 1.00 22.10 H new ATOM 0 HB2 ASP A 7 -10.122 5.199 -14.911 1.00 63.21 H new ATOM 0 HB3 ASP A 7 -8.578 5.922 -15.316 1.00 63.21 H new ATOM 100 N TRP A 8 -8.819 2.720 -14.095 1.00 45.03 N ATOM 101 CA TRP A 8 -8.248 1.853 -13.048 1.00 14.24 C ATOM 102 C TRP A 8 -7.324 0.801 -13.686 1.00 73.44 C ATOM 103 O TRP A 8 -6.185 0.673 -13.263 1.00 64.11 O ATOM 104 CB TRP A 8 -9.378 1.191 -12.205 1.00 1.13 C ATOM 105 CG TRP A 8 -8.920 0.109 -11.244 1.00 71.42 C ATOM 106 CD1 TRP A 8 -8.274 0.273 -10.049 1.00 74.34 C ATOM 107 CD2 TRP A 8 -9.080 -1.311 -11.417 1.00 3.44 C ATOM 108 NE1 TRP A 8 -8.041 -0.949 -9.469 1.00 25.32 N ATOM 109 CE2 TRP A 8 -8.524 -1.934 -10.288 1.00 51.21 C ATOM 110 CE3 TRP A 8 -9.650 -2.107 -12.420 1.00 1.12 C ATOM 111 CZ2 TRP A 8 -8.513 -3.314 -10.131 1.00 63.03 C ATOM 112 CZ3 TRP A 8 -9.636 -3.479 -12.265 1.00 3.23 C ATOM 113 CH2 TRP A 8 -9.077 -4.071 -11.124 1.00 22.54 C ATOM 0 H TRP A 8 -9.830 2.830 -14.023 1.00 45.03 H new ATOM 0 HA TRP A 8 -7.651 2.460 -12.368 1.00 14.24 H new ATOM 0 HB2 TRP A 8 -9.887 1.969 -11.635 1.00 1.13 H new ATOM 0 HB3 TRP A 8 -10.113 0.762 -12.886 1.00 1.13 H new ATOM 0 HD1 TRP A 8 -7.989 1.224 -9.624 1.00 74.34 H new ATOM 0 HE1 TRP A 8 -7.581 -1.099 -8.571 1.00 25.32 H new ATOM 0 HE3 TRP A 8 -10.091 -1.656 -13.297 1.00 1.12 H new ATOM 0 HZ2 TRP A 8 -8.075 -3.774 -9.257 1.00 63.03 H new ATOM 0 HZ3 TRP A 8 -10.062 -4.106 -13.035 1.00 3.23 H new ATOM 0 HH2 TRP A 8 -9.091 -5.146 -11.026 1.00 22.54 H new ATOM 124 N GLU A 9 -7.823 0.116 -14.746 1.00 34.33 N ATOM 125 CA GLU A 9 -7.060 -0.921 -15.486 1.00 4.04 C ATOM 126 C GLU A 9 -5.825 -0.334 -16.230 1.00 55.33 C ATOM 127 O GLU A 9 -4.798 -1.018 -16.366 1.00 53.34 O ATOM 128 CB GLU A 9 -7.977 -1.677 -16.490 1.00 25.02 C ATOM 129 CG GLU A 9 -7.269 -2.831 -17.234 1.00 3.43 C ATOM 130 CD GLU A 9 -8.118 -3.473 -18.337 1.00 64.32 C ATOM 131 OE1 GLU A 9 -8.141 -2.946 -19.470 1.00 14.23 O ATOM 132 OE2 GLU A 9 -8.763 -4.509 -18.077 1.00 44.31 O ATOM 0 H GLU A 9 -8.763 0.267 -15.111 1.00 34.33 H new ATOM 0 HA GLU A 9 -6.690 -1.625 -14.740 1.00 4.04 H new ATOM 0 HB2 GLU A 9 -8.837 -2.077 -15.952 1.00 25.02 H new ATOM 0 HB3 GLU A 9 -8.361 -0.967 -17.222 1.00 25.02 H new ATOM 0 HG2 GLU A 9 -6.345 -2.454 -17.673 1.00 3.43 H new ATOM 0 HG3 GLU A 9 -6.989 -3.598 -16.512 1.00 3.43 H new ATOM 139 N THR A 10 -5.923 0.928 -16.698 1.00 34.11 N ATOM 140 CA THR A 10 -4.846 1.581 -17.471 1.00 73.32 C ATOM 141 C THR A 10 -3.608 1.815 -16.581 1.00 63.41 C ATOM 142 O THR A 10 -2.511 1.359 -16.896 1.00 25.53 O ATOM 143 CB THR A 10 -5.335 2.933 -18.094 1.00 62.14 C ATOM 144 OG1 THR A 10 -6.553 2.707 -18.823 1.00 62.43 O ATOM 145 CG2 THR A 10 -4.292 3.548 -19.043 1.00 64.30 C ATOM 0 H THR A 10 -6.742 1.518 -16.553 1.00 34.11 H new ATOM 0 HA THR A 10 -4.569 0.915 -18.288 1.00 73.32 H new ATOM 0 HB THR A 10 -5.496 3.633 -17.274 1.00 62.14 H new ATOM 0 HG1 THR A 10 -7.250 2.396 -18.208 1.00 62.43 H new ATOM 0 HG21 THR A 10 -4.677 4.483 -19.450 1.00 64.30 H new ATOM 0 HG22 THR A 10 -3.371 3.743 -18.494 1.00 64.30 H new ATOM 0 HG23 THR A 10 -4.089 2.854 -19.859 1.00 64.30 H new ATOM 153 N GLN A 11 -3.812 2.521 -15.458 1.00 72.43 N ATOM 154 CA GLN A 11 -2.759 2.766 -14.448 1.00 24.11 C ATOM 155 C GLN A 11 -2.375 1.472 -13.695 1.00 24.30 C ATOM 156 O GLN A 11 -1.274 1.380 -13.140 1.00 45.34 O ATOM 157 CB GLN A 11 -3.229 3.866 -13.457 1.00 62.00 C ATOM 158 CG GLN A 11 -4.546 3.548 -12.709 1.00 54.04 C ATOM 159 CD GLN A 11 -5.075 4.710 -11.868 1.00 13.44 C ATOM 160 OE1 GLN A 11 -6.392 4.819 -11.762 1.00 24.30 O flip ATOM 161 NE2 GLN A 11 -4.311 5.516 -11.337 1.00 52.14 N flip ATOM 0 H GLN A 11 -4.711 2.940 -15.220 1.00 72.43 H new ATOM 0 HA GLN A 11 -1.864 3.111 -14.965 1.00 24.11 H new ATOM 0 HB2 GLN A 11 -2.442 4.033 -12.722 1.00 62.00 H new ATOM 0 HB3 GLN A 11 -3.356 4.799 -14.006 1.00 62.00 H new ATOM 0 HG2 GLN A 11 -5.306 3.263 -13.436 1.00 54.04 H new ATOM 0 HG3 GLN A 11 -4.386 2.686 -12.061 1.00 54.04 H new ATOM 0 HE21 GLN A 11 -3.302 5.405 -11.437 1.00 52.14 H new ATOM 0 HE22 GLN A 11 -4.687 6.295 -10.797 1.00 52.14 H new ATOM 170 N LEU A 12 -3.292 0.477 -13.706 1.00 51.05 N ATOM 171 CA LEU A 12 -3.124 -0.817 -13.019 1.00 75.10 C ATOM 172 C LEU A 12 -1.874 -1.551 -13.480 1.00 23.31 C ATOM 173 O LEU A 12 -1.121 -2.065 -12.645 1.00 73.11 O ATOM 174 CB LEU A 12 -4.353 -1.718 -13.291 1.00 31.10 C ATOM 175 CG LEU A 12 -4.431 -3.070 -12.540 1.00 34.24 C ATOM 176 CD1 LEU A 12 -4.485 -2.831 -11.030 1.00 23.23 C ATOM 177 CD2 LEU A 12 -5.641 -3.902 -13.013 1.00 5.25 C ATOM 0 H LEU A 12 -4.181 0.555 -14.200 1.00 51.05 H new ATOM 0 HA LEU A 12 -3.027 -0.606 -11.954 1.00 75.10 H new ATOM 0 HB2 LEU A 12 -5.249 -1.147 -13.048 1.00 31.10 H new ATOM 0 HB3 LEU A 12 -4.387 -1.925 -14.361 1.00 31.10 H new ATOM 0 HG LEU A 12 -3.532 -3.643 -12.768 1.00 34.24 H new ATOM 0 HD11 LEU A 12 -4.540 -3.788 -10.512 1.00 23.23 H new ATOM 0 HD12 LEU A 12 -3.588 -2.298 -10.714 1.00 23.23 H new ATOM 0 HD13 LEU A 12 -5.365 -2.236 -10.787 1.00 23.23 H new ATOM 0 HD21 LEU A 12 -5.669 -4.845 -12.468 1.00 5.25 H new ATOM 0 HD22 LEU A 12 -6.560 -3.347 -12.825 1.00 5.25 H new ATOM 0 HD23 LEU A 12 -5.550 -4.102 -14.081 1.00 5.25 H new ATOM 189 N GLN A 13 -1.671 -1.584 -14.822 1.00 61.54 N ATOM 190 CA GLN A 13 -0.620 -2.393 -15.458 1.00 0.51 C ATOM 191 C GLN A 13 0.766 -2.064 -14.885 1.00 1.25 C ATOM 192 O GLN A 13 1.559 -2.968 -14.671 1.00 73.24 O ATOM 193 CB GLN A 13 -0.634 -2.244 -17.008 1.00 50.12 C ATOM 194 CG GLN A 13 -0.276 -0.841 -17.545 1.00 13.34 C ATOM 195 CD GLN A 13 -0.177 -0.753 -19.076 1.00 61.10 C ATOM 196 OE1 GLN A 13 0.304 -1.809 -19.727 1.00 3.43 O flip ATOM 197 NE2 GLN A 13 -0.494 0.283 -19.670 1.00 23.03 N flip ATOM 0 H GLN A 13 -2.233 -1.050 -15.484 1.00 61.54 H new ATOM 0 HA GLN A 13 -0.837 -3.436 -15.228 1.00 0.51 H new ATOM 0 HB2 GLN A 13 0.065 -2.965 -17.431 1.00 50.12 H new ATOM 0 HB3 GLN A 13 -1.626 -2.511 -17.372 1.00 50.12 H new ATOM 0 HG2 GLN A 13 -1.028 -0.131 -17.200 1.00 13.34 H new ATOM 0 HG3 GLN A 13 0.676 -0.532 -17.113 1.00 13.34 H new ATOM 0 HE21 GLN A 13 -0.860 1.079 -19.148 1.00 23.03 H new ATOM 0 HE22 GLN A 13 -0.389 0.343 -20.683 1.00 23.03 H new ATOM 206 N ALA A 14 1.013 -0.768 -14.579 1.00 15.50 N ATOM 207 CA ALA A 14 2.283 -0.300 -13.997 1.00 3.44 C ATOM 208 C ALA A 14 2.497 -0.885 -12.591 1.00 42.14 C ATOM 209 O ALA A 14 3.604 -1.296 -12.252 1.00 50.15 O ATOM 210 CB ALA A 14 2.320 1.232 -13.956 1.00 75.12 C ATOM 0 H ALA A 14 0.334 -0.022 -14.731 1.00 15.50 H new ATOM 0 HA ALA A 14 3.096 -0.651 -14.632 1.00 3.44 H new ATOM 0 HB1 ALA A 14 3.265 1.562 -13.523 1.00 75.12 H new ATOM 0 HB2 ALA A 14 2.228 1.625 -14.968 1.00 75.12 H new ATOM 0 HB3 ALA A 14 1.494 1.600 -13.347 1.00 75.12 H new ATOM 216 N ASN A 15 1.406 -0.977 -11.807 1.00 72.52 N ATOM 217 CA ASN A 15 1.452 -1.451 -10.405 1.00 4.33 C ATOM 218 C ASN A 15 1.847 -2.939 -10.278 1.00 53.04 C ATOM 219 O ASN A 15 2.052 -3.422 -9.170 1.00 1.05 O ATOM 220 CB ASN A 15 0.105 -1.180 -9.690 1.00 2.25 C ATOM 221 CG ASN A 15 -0.140 0.306 -9.450 1.00 3.14 C ATOM 222 OD1 ASN A 15 -0.826 0.972 -10.369 1.00 64.11 O flip ATOM 223 ND2 ASN A 15 0.297 0.856 -8.442 1.00 53.35 N flip ATOM 0 H ASN A 15 0.469 -0.726 -12.124 1.00 72.52 H new ATOM 0 HA ASN A 15 2.239 -0.880 -9.913 1.00 4.33 H new ATOM 0 HB2 ASN A 15 -0.709 -1.587 -10.290 1.00 2.25 H new ATOM 0 HB3 ASN A 15 0.092 -1.706 -8.735 1.00 2.25 H new ATOM 0 HD21 ASN A 15 0.821 0.316 -7.753 1.00 53.35 H new ATOM 0 HD22 ASN A 15 0.136 1.852 -8.294 1.00 53.35 H new ATOM 230 N ARG A 16 1.896 -3.680 -11.397 1.00 75.50 N ATOM 231 CA ARG A 16 2.590 -4.998 -11.452 1.00 54.11 C ATOM 232 C ARG A 16 3.880 -4.896 -12.275 1.00 64.54 C ATOM 233 O ARG A 16 4.868 -5.528 -11.930 1.00 72.34 O ATOM 234 CB ARG A 16 1.686 -6.174 -11.968 1.00 74.41 C ATOM 235 CG ARG A 16 0.703 -5.859 -13.130 1.00 40.42 C ATOM 236 CD ARG A 16 -0.569 -5.137 -12.637 1.00 63.53 C ATOM 237 NE ARG A 16 -1.179 -5.850 -11.500 1.00 32.50 N ATOM 238 CZ ARG A 16 -1.571 -5.293 -10.348 1.00 71.41 C ATOM 239 NH1 ARG A 16 -1.450 -3.986 -10.139 1.00 12.32 N ATOM 240 NH2 ARG A 16 -1.999 -6.074 -9.372 1.00 22.21 N ATOM 0 H ARG A 16 1.468 -3.399 -12.279 1.00 75.50 H new ATOM 0 HA ARG A 16 2.839 -5.249 -10.421 1.00 54.11 H new ATOM 0 HB2 ARG A 16 2.339 -6.986 -12.289 1.00 74.41 H new ATOM 0 HB3 ARG A 16 1.104 -6.547 -11.125 1.00 74.41 H new ATOM 0 HG2 ARG A 16 1.206 -5.239 -13.872 1.00 40.42 H new ATOM 0 HG3 ARG A 16 0.422 -6.787 -13.628 1.00 40.42 H new ATOM 0 HD2 ARG A 16 -0.320 -4.118 -12.340 1.00 63.53 H new ATOM 0 HD3 ARG A 16 -1.289 -5.064 -13.453 1.00 63.53 H new ATOM 0 HE ARG A 16 -1.314 -6.856 -11.600 1.00 32.50 H new ATOM 0 HH11 ARG A 16 -1.052 -3.388 -10.864 1.00 12.32 H new ATOM 0 HH12 ARG A 16 -1.755 -3.581 -9.254 1.00 12.32 H new ATOM 0 HH21 ARG A 16 -2.027 -7.085 -9.503 1.00 22.21 H new ATOM 0 HH22 ARG A 16 -2.301 -5.666 -8.488 1.00 22.21 H new ATOM 254 N ASP A 17 3.847 -4.089 -13.354 1.00 1.42 N ATOM 255 CA ASP A 17 4.929 -4.001 -14.366 1.00 43.12 C ATOM 256 C ASP A 17 6.274 -3.572 -13.750 1.00 62.40 C ATOM 257 O ASP A 17 7.263 -4.319 -13.812 1.00 54.03 O ATOM 258 CB ASP A 17 4.504 -3.022 -15.493 1.00 43.25 C ATOM 259 CG ASP A 17 5.512 -2.916 -16.641 1.00 45.33 C ATOM 260 OD1 ASP A 17 5.683 -3.908 -17.383 1.00 23.04 O ATOM 261 OD2 ASP A 17 6.117 -1.838 -16.829 1.00 74.22 O ATOM 0 H ASP A 17 3.061 -3.471 -13.553 1.00 1.42 H new ATOM 0 HA ASP A 17 5.081 -4.997 -14.783 1.00 43.12 H new ATOM 0 HB2 ASP A 17 3.543 -3.343 -15.896 1.00 43.25 H new ATOM 0 HB3 ASP A 17 4.354 -2.032 -15.062 1.00 43.25 H new ATOM 266 N GLU A 18 6.286 -2.379 -13.130 1.00 44.32 N ATOM 267 CA GLU A 18 7.494 -1.830 -12.496 1.00 4.23 C ATOM 268 C GLU A 18 7.798 -2.560 -11.174 1.00 60.34 C ATOM 269 O GLU A 18 8.961 -2.782 -10.857 1.00 43.33 O ATOM 270 CB GLU A 18 7.374 -0.305 -12.232 1.00 60.21 C ATOM 271 CG GLU A 18 6.210 0.107 -11.310 1.00 61.11 C ATOM 272 CD GLU A 18 6.353 1.525 -10.752 1.00 14.41 C ATOM 273 OE1 GLU A 18 7.158 1.714 -9.817 1.00 20.12 O ATOM 274 OE2 GLU A 18 5.674 2.453 -11.237 1.00 15.01 O ATOM 0 H GLU A 18 5.467 -1.775 -13.055 1.00 44.32 H new ATOM 0 HA GLU A 18 8.315 -1.988 -13.195 1.00 4.23 H new ATOM 0 HB2 GLU A 18 8.307 0.047 -11.793 1.00 60.21 H new ATOM 0 HB3 GLU A 18 7.259 0.206 -13.188 1.00 60.21 H new ATOM 0 HG2 GLU A 18 5.274 0.034 -11.864 1.00 61.11 H new ATOM 0 HG3 GLU A 18 6.145 -0.598 -10.481 1.00 61.11 H new ATOM 281 N LYS A 19 6.732 -2.936 -10.418 1.00 22.51 N ATOM 282 CA LYS A 19 6.878 -3.511 -9.060 1.00 34.35 C ATOM 283 C LYS A 19 7.482 -4.934 -9.123 1.00 51.33 C ATOM 284 O LYS A 19 8.119 -5.380 -8.172 1.00 70.42 O ATOM 285 CB LYS A 19 5.521 -3.537 -8.303 1.00 5.04 C ATOM 286 CG LYS A 19 4.740 -2.200 -8.310 1.00 70.22 C ATOM 287 CD LYS A 19 5.503 -0.995 -7.708 1.00 14.31 C ATOM 288 CE LYS A 19 4.641 0.295 -7.727 1.00 71.21 C ATOM 289 NZ LYS A 19 5.426 1.504 -7.369 1.00 21.12 N ATOM 0 H LYS A 19 5.764 -2.850 -10.729 1.00 22.51 H new ATOM 0 HA LYS A 19 7.561 -2.866 -8.507 1.00 34.35 H new ATOM 0 HB2 LYS A 19 4.891 -4.310 -8.744 1.00 5.04 H new ATOM 0 HB3 LYS A 19 5.705 -3.827 -7.269 1.00 5.04 H new ATOM 0 HG2 LYS A 19 4.467 -1.961 -9.338 1.00 70.22 H new ATOM 0 HG3 LYS A 19 3.811 -2.336 -7.757 1.00 70.22 H new ATOM 0 HD2 LYS A 19 5.794 -1.224 -6.683 1.00 14.31 H new ATOM 0 HD3 LYS A 19 6.422 -0.828 -8.270 1.00 14.31 H new ATOM 0 HE2 LYS A 19 4.209 0.426 -8.719 1.00 71.21 H new ATOM 0 HE3 LYS A 19 3.810 0.184 -7.030 1.00 71.21 H new ATOM 0 HZ1 LYS A 19 4.804 2.198 -6.908 1.00 21.12 H new ATOM 0 HZ2 LYS A 19 6.192 1.240 -6.718 1.00 21.12 H new ATOM 0 HZ3 LYS A 19 5.832 1.922 -8.230 1.00 21.12 H new ATOM 303 N ASP A 20 7.272 -5.619 -10.263 1.00 11.50 N ATOM 304 CA ASP A 20 7.826 -6.960 -10.538 1.00 4.25 C ATOM 305 C ASP A 20 9.350 -6.900 -10.653 1.00 42.14 C ATOM 306 O ASP A 20 10.079 -7.567 -9.907 1.00 53.23 O ATOM 307 CB ASP A 20 7.203 -7.534 -11.834 1.00 32.23 C ATOM 308 CG ASP A 20 7.806 -8.877 -12.263 1.00 14.32 C ATOM 309 OD1 ASP A 20 7.417 -9.920 -11.704 1.00 45.54 O ATOM 310 OD2 ASP A 20 8.655 -8.893 -13.172 1.00 61.43 O ATOM 0 H ASP A 20 6.706 -5.253 -11.029 1.00 11.50 H new ATOM 0 HA ASP A 20 7.576 -7.620 -9.707 1.00 4.25 H new ATOM 0 HB2 ASP A 20 6.130 -7.657 -11.688 1.00 32.23 H new ATOM 0 HB3 ASP A 20 7.334 -6.812 -12.640 1.00 32.23 H new ATOM 315 N ARG A 21 9.813 -6.031 -11.563 1.00 60.33 N ATOM 316 CA ARG A 21 11.241 -5.867 -11.854 1.00 63.41 C ATOM 317 C ARG A 21 11.903 -5.005 -10.763 1.00 33.13 C ATOM 318 O ARG A 21 13.121 -4.860 -10.740 1.00 54.25 O ATOM 319 CB ARG A 21 11.446 -5.248 -13.259 1.00 33.33 C ATOM 320 CG ARG A 21 10.944 -3.795 -13.402 1.00 42.45 C ATOM 321 CD ARG A 21 11.121 -3.247 -14.819 1.00 24.41 C ATOM 322 NE ARG A 21 10.292 -3.981 -15.800 1.00 24.35 N ATOM 323 CZ ARG A 21 9.238 -3.475 -16.456 1.00 75.01 C ATOM 324 NH1 ARG A 21 8.855 -2.221 -16.274 1.00 42.43 N ATOM 325 NH2 ARG A 21 8.568 -4.234 -17.297 1.00 24.43 N ATOM 0 H ARG A 21 9.208 -5.424 -12.116 1.00 60.33 H new ATOM 0 HA ARG A 21 11.717 -6.848 -11.854 1.00 63.41 H new ATOM 0 HB2 ARG A 21 12.508 -5.277 -13.503 1.00 33.33 H new ATOM 0 HB3 ARG A 21 10.933 -5.869 -13.993 1.00 33.33 H new ATOM 0 HG2 ARG A 21 9.890 -3.750 -13.128 1.00 42.45 H new ATOM 0 HG3 ARG A 21 11.483 -3.158 -12.700 1.00 42.45 H new ATOM 0 HD2 ARG A 21 10.854 -2.190 -14.836 1.00 24.41 H new ATOM 0 HD3 ARG A 21 12.170 -3.315 -15.107 1.00 24.41 H new ATOM 0 HE ARG A 21 10.543 -4.951 -15.993 1.00 24.35 H new ATOM 0 HH11 ARG A 21 9.365 -1.621 -15.625 1.00 42.43 H new ATOM 0 HH12 ARG A 21 8.050 -1.855 -16.783 1.00 42.43 H new ATOM 0 HH21 ARG A 21 8.851 -5.202 -17.447 1.00 24.43 H new ATOM 0 HH22 ARG A 21 7.765 -3.854 -17.799 1.00 24.43 H new ATOM 339 N PHE A 22 11.070 -4.395 -9.892 1.00 35.30 N ATOM 340 CA PHE A 22 11.530 -3.720 -8.675 1.00 11.01 C ATOM 341 C PHE A 22 12.130 -4.751 -7.712 1.00 2.44 C ATOM 342 O PHE A 22 13.177 -4.524 -7.133 1.00 72.23 O ATOM 343 CB PHE A 22 10.356 -2.956 -8.008 1.00 75.23 C ATOM 344 CG PHE A 22 10.755 -1.986 -6.900 1.00 63.14 C ATOM 345 CD1 PHE A 22 11.000 -2.431 -5.596 1.00 71.12 C ATOM 346 CD2 PHE A 22 10.884 -0.624 -7.164 1.00 63.13 C ATOM 347 CE1 PHE A 22 11.359 -1.548 -4.607 1.00 40.43 C ATOM 348 CE2 PHE A 22 11.240 0.252 -6.165 1.00 21.14 C ATOM 349 CZ PHE A 22 11.480 -0.214 -4.890 1.00 1.35 C ATOM 0 H PHE A 22 10.059 -4.361 -10.020 1.00 35.30 H new ATOM 0 HA PHE A 22 12.300 -2.993 -8.933 1.00 11.01 H new ATOM 0 HB2 PHE A 22 9.821 -2.401 -8.779 1.00 75.23 H new ATOM 0 HB3 PHE A 22 9.657 -3.684 -7.596 1.00 75.23 H new ATOM 0 HD1 PHE A 22 10.906 -3.482 -5.364 1.00 71.12 H new ATOM 0 HD2 PHE A 22 10.703 -0.253 -8.162 1.00 63.13 H new ATOM 0 HE1 PHE A 22 11.546 -1.906 -3.605 1.00 40.43 H new ATOM 0 HE2 PHE A 22 11.332 1.306 -6.380 1.00 21.14 H new ATOM 0 HZ PHE A 22 11.765 0.477 -4.110 1.00 1.35 H new ATOM 359 N PHE A 23 11.440 -5.882 -7.557 1.00 11.35 N ATOM 360 CA PHE A 23 11.871 -6.972 -6.668 1.00 21.43 C ATOM 361 C PHE A 23 12.927 -7.862 -7.358 1.00 63.32 C ATOM 362 O PHE A 23 13.757 -8.475 -6.688 1.00 14.35 O ATOM 363 CB PHE A 23 10.642 -7.812 -6.207 1.00 11.25 C ATOM 364 CG PHE A 23 9.735 -7.119 -5.170 1.00 35.22 C ATOM 365 CD1 PHE A 23 9.327 -5.789 -5.320 1.00 32.43 C ATOM 366 CD2 PHE A 23 9.302 -7.801 -4.033 1.00 34.24 C ATOM 367 CE1 PHE A 23 8.519 -5.176 -4.380 1.00 33.15 C ATOM 368 CE2 PHE A 23 8.494 -7.186 -3.091 1.00 51.10 C ATOM 369 CZ PHE A 23 8.105 -5.875 -3.263 1.00 65.44 C ATOM 0 H PHE A 23 10.564 -6.072 -8.044 1.00 11.35 H new ATOM 0 HA PHE A 23 12.336 -6.534 -5.785 1.00 21.43 H new ATOM 0 HB2 PHE A 23 10.043 -8.063 -7.082 1.00 11.25 H new ATOM 0 HB3 PHE A 23 11.000 -8.751 -5.785 1.00 11.25 H new ATOM 0 HD1 PHE A 23 9.649 -5.231 -6.186 1.00 32.43 H new ATOM 0 HD2 PHE A 23 9.602 -8.828 -3.884 1.00 34.24 H new ATOM 0 HE1 PHE A 23 8.212 -4.150 -4.519 1.00 33.15 H new ATOM 0 HE2 PHE A 23 8.168 -7.735 -2.220 1.00 51.10 H new ATOM 0 HZ PHE A 23 7.478 -5.395 -2.526 1.00 65.44 H new ATOM 379 N SER A 24 12.902 -7.917 -8.699 1.00 14.11 N ATOM 380 CA SER A 24 13.794 -8.803 -9.476 1.00 10.41 C ATOM 381 C SER A 24 15.143 -8.135 -9.839 1.00 3.31 C ATOM 382 O SER A 24 16.195 -8.781 -9.756 1.00 61.41 O ATOM 383 CB SER A 24 13.068 -9.271 -10.753 1.00 43.31 C ATOM 384 OG SER A 24 11.885 -9.988 -10.443 1.00 52.43 O ATOM 0 H SER A 24 12.272 -7.357 -9.273 1.00 14.11 H new ATOM 0 HA SER A 24 14.033 -9.659 -8.844 1.00 10.41 H new ATOM 0 HB2 SER A 24 12.820 -8.407 -11.370 1.00 43.31 H new ATOM 0 HB3 SER A 24 13.734 -9.902 -11.341 1.00 43.31 H new ATOM 0 HG SER A 24 11.161 -9.357 -10.249 1.00 52.43 H new ATOM 390 N GLU A 25 15.111 -6.844 -10.227 1.00 1.25 N ATOM 391 CA GLU A 25 16.250 -6.170 -10.905 1.00 61.11 C ATOM 392 C GLU A 25 16.739 -4.940 -10.101 1.00 24.44 C ATOM 393 O GLU A 25 17.939 -4.778 -9.862 1.00 15.12 O ATOM 394 CB GLU A 25 15.816 -5.706 -12.333 1.00 72.00 C ATOM 395 CG GLU A 25 15.176 -6.794 -13.231 1.00 60.11 C ATOM 396 CD GLU A 25 16.137 -7.938 -13.604 1.00 61.23 C ATOM 397 OE1 GLU A 25 16.934 -7.779 -14.554 1.00 41.51 O ATOM 398 OE2 GLU A 25 16.096 -9.010 -12.953 1.00 0.15 O ATOM 0 H GLU A 25 14.303 -6.238 -10.083 1.00 1.25 H new ATOM 0 HA GLU A 25 17.068 -6.887 -10.974 1.00 61.11 H new ATOM 0 HB2 GLU A 25 15.106 -4.885 -12.228 1.00 72.00 H new ATOM 0 HB3 GLU A 25 16.691 -5.307 -12.846 1.00 72.00 H new ATOM 0 HG2 GLU A 25 14.310 -7.212 -12.717 1.00 60.11 H new ATOM 0 HG3 GLU A 25 14.809 -6.327 -14.145 1.00 60.11 H new ATOM 405 N HIS A 26 15.782 -4.087 -9.692 1.00 62.32 N ATOM 406 CA HIS A 26 16.052 -2.760 -9.085 1.00 51.14 C ATOM 407 C HIS A 26 16.519 -2.885 -7.615 1.00 34.44 C ATOM 408 O HIS A 26 17.490 -2.246 -7.199 1.00 30.34 O ATOM 409 CB HIS A 26 14.761 -1.901 -9.183 1.00 40.13 C ATOM 410 CG HIS A 26 14.852 -0.523 -8.575 1.00 25.55 C ATOM 411 ND1 HIS A 26 14.336 -0.270 -7.337 1.00 35.52 N ATOM 412 CD2 HIS A 26 15.379 0.625 -9.073 1.00 14.45 C ATOM 413 CE1 HIS A 26 14.553 1.000 -7.093 1.00 73.14 C ATOM 414 NE2 HIS A 26 15.182 1.596 -8.116 1.00 30.23 N ATOM 0 H HIS A 26 14.787 -4.297 -9.772 1.00 62.32 H new ATOM 0 HA HIS A 26 16.864 -2.278 -9.630 1.00 51.14 H new ATOM 0 HB2 HIS A 26 14.492 -1.799 -10.234 1.00 40.13 H new ATOM 0 HB3 HIS A 26 13.948 -2.441 -8.697 1.00 40.13 H new ATOM 0 HD2 HIS A 26 15.859 0.752 -10.032 1.00 14.45 H new ATOM 0 HE1 HIS A 26 14.262 1.503 -6.183 1.00 73.14 H new ATOM 0 HE2 HIS A 26 15.460 2.576 -8.174 1.00 30.23 H new ATOM 422 N ARG A 27 15.793 -3.707 -6.853 1.00 44.24 N ATOM 423 CA ARG A 27 15.999 -3.937 -5.404 1.00 35.45 C ATOM 424 C ARG A 27 16.010 -5.436 -5.113 1.00 34.31 C ATOM 425 O ARG A 27 15.437 -6.228 -5.878 1.00 24.04 O ATOM 426 CB ARG A 27 14.893 -3.242 -4.549 1.00 44.13 C ATOM 427 CG ARG A 27 14.964 -1.706 -4.544 1.00 22.35 C ATOM 428 CD ARG A 27 16.303 -1.189 -4.024 1.00 44.11 C ATOM 429 NE ARG A 27 16.433 0.269 -4.120 1.00 33.34 N ATOM 430 CZ ARG A 27 17.473 0.957 -3.635 1.00 53.05 C ATOM 431 NH1 ARG A 27 18.466 0.335 -3.006 1.00 34.50 N ATOM 432 NH2 ARG A 27 17.504 2.260 -3.768 1.00 65.33 N ATOM 0 H ARG A 27 15.019 -4.253 -7.231 1.00 44.24 H new ATOM 0 HA ARG A 27 16.960 -3.501 -5.130 1.00 35.45 H new ATOM 0 HB2 ARG A 27 13.916 -3.547 -4.924 1.00 44.13 H new ATOM 0 HB3 ARG A 27 14.966 -3.600 -3.522 1.00 44.13 H new ATOM 0 HG2 ARG A 27 14.802 -1.334 -5.556 1.00 22.35 H new ATOM 0 HG3 ARG A 27 14.159 -1.309 -3.925 1.00 22.35 H new ATOM 0 HD2 ARG A 27 16.423 -1.491 -2.984 1.00 44.11 H new ATOM 0 HD3 ARG A 27 17.110 -1.658 -4.587 1.00 44.11 H new ATOM 0 HE ARG A 27 15.687 0.788 -4.583 1.00 33.34 H new ATOM 0 HH11 ARG A 27 18.440 -0.678 -2.889 1.00 34.50 H new ATOM 0 HH12 ARG A 27 19.253 0.871 -2.641 1.00 34.50 H new ATOM 0 HH21 ARG A 27 16.739 2.743 -4.239 1.00 65.33 H new ATOM 0 HH22 ARG A 27 18.293 2.791 -3.401 1.00 65.33 H new ATOM 446 N GLN A 28 16.706 -5.806 -4.028 1.00 51.11 N ATOM 447 CA GLN A 28 16.780 -7.190 -3.534 1.00 5.13 C ATOM 448 C GLN A 28 15.362 -7.730 -3.204 1.00 13.04 C ATOM 449 O GLN A 28 14.592 -7.077 -2.484 1.00 11.43 O ATOM 450 CB GLN A 28 17.710 -7.253 -2.285 1.00 55.21 C ATOM 451 CG GLN A 28 17.292 -6.325 -1.120 1.00 63.42 C ATOM 452 CD GLN A 28 18.251 -6.366 0.062 1.00 64.54 C ATOM 453 OE1 GLN A 28 18.087 -7.161 0.985 1.00 0.32 O ATOM 454 NE2 GLN A 28 19.262 -5.518 0.042 1.00 14.22 N ATOM 0 H GLN A 28 17.239 -5.146 -3.462 1.00 51.11 H new ATOM 0 HA GLN A 28 17.201 -7.825 -4.313 1.00 5.13 H new ATOM 0 HB2 GLN A 28 17.738 -8.280 -1.921 1.00 55.21 H new ATOM 0 HB3 GLN A 28 18.724 -6.995 -2.591 1.00 55.21 H new ATOM 0 HG2 GLN A 28 17.224 -5.301 -1.488 1.00 63.42 H new ATOM 0 HG3 GLN A 28 16.296 -6.608 -0.780 1.00 63.42 H new ATOM 0 HE21 GLN A 28 19.370 -4.871 -0.739 1.00 14.22 H new ATOM 0 HE22 GLN A 28 19.936 -5.510 0.808 1.00 14.22 H new ATOM 463 N SER A 29 15.011 -8.891 -3.797 1.00 44.12 N ATOM 464 CA SER A 29 13.723 -9.557 -3.542 1.00 54.14 C ATOM 465 C SER A 29 13.672 -10.031 -2.076 1.00 15.14 C ATOM 466 O SER A 29 14.544 -10.804 -1.656 1.00 61.24 O ATOM 467 CB SER A 29 13.533 -10.767 -4.500 1.00 54.11 C ATOM 468 OG SER A 29 12.257 -11.375 -4.336 1.00 71.32 O ATOM 0 H SER A 29 15.608 -9.386 -4.459 1.00 44.12 H new ATOM 0 HA SER A 29 12.916 -8.847 -3.723 1.00 54.14 H new ATOM 0 HB2 SER A 29 13.648 -10.435 -5.532 1.00 54.11 H new ATOM 0 HB3 SER A 29 14.314 -11.504 -4.314 1.00 54.11 H new ATOM 0 HG SER A 29 12.172 -12.130 -4.955 1.00 71.32 H new ATOM 474 N PRO A 30 12.664 -9.578 -1.267 1.00 70.44 N ATOM 475 CA PRO A 30 12.480 -10.072 0.111 1.00 14.44 C ATOM 476 C PRO A 30 11.919 -11.503 0.135 1.00 54.24 C ATOM 477 O PRO A 30 12.062 -12.197 1.135 1.00 72.24 O ATOM 478 CB PRO A 30 11.493 -9.056 0.724 1.00 60.21 C ATOM 479 CG PRO A 30 10.682 -8.577 -0.442 1.00 51.34 C ATOM 480 CD PRO A 30 11.663 -8.524 -1.602 1.00 4.24 C ATOM 0 HA PRO A 30 13.416 -10.138 0.666 1.00 14.44 H new ATOM 0 HB2 PRO A 30 10.863 -9.521 1.482 1.00 60.21 H new ATOM 0 HB3 PRO A 30 12.019 -8.233 1.208 1.00 60.21 H new ATOM 0 HG2 PRO A 30 9.855 -9.255 -0.654 1.00 51.34 H new ATOM 0 HG3 PRO A 30 10.248 -7.597 -0.246 1.00 51.34 H new ATOM 0 HD2 PRO A 30 11.170 -8.727 -2.553 1.00 4.24 H new ATOM 0 HD3 PRO A 30 12.129 -7.542 -1.688 1.00 4.24 H new ATOM 488 N ILE A 31 11.265 -11.915 -0.981 1.00 12.22 N ATOM 489 CA ILE A 31 10.718 -13.275 -1.146 1.00 72.14 C ATOM 490 C ILE A 31 11.859 -14.312 -0.953 1.00 34.14 C ATOM 491 O ILE A 31 12.755 -14.366 -1.795 1.00 65.20 O ATOM 492 CB ILE A 31 10.050 -13.480 -2.567 1.00 41.41 C ATOM 493 CG1 ILE A 31 9.146 -12.260 -2.972 1.00 11.33 C ATOM 494 CG2 ILE A 31 9.242 -14.810 -2.602 1.00 5.15 C ATOM 495 CD1 ILE A 31 7.981 -11.982 -2.045 1.00 61.20 C ATOM 0 H ILE A 31 11.105 -11.311 -1.787 1.00 12.22 H new ATOM 0 HA ILE A 31 9.941 -13.417 -0.394 1.00 72.14 H new ATOM 0 HB ILE A 31 10.852 -13.541 -3.303 1.00 41.41 H new ATOM 0 HG12 ILE A 31 9.770 -11.368 -3.022 1.00 11.33 H new ATOM 0 HG13 ILE A 31 8.757 -12.434 -3.975 1.00 11.33 H new ATOM 0 HG21 ILE A 31 8.790 -14.935 -3.586 1.00 5.15 H new ATOM 0 HG22 ILE A 31 9.910 -15.647 -2.401 1.00 5.15 H new ATOM 0 HG23 ILE A 31 8.459 -14.780 -1.844 1.00 5.15 H new ATOM 0 HD11 ILE A 31 7.421 -11.122 -2.412 1.00 61.20 H new ATOM 0 HD12 ILE A 31 7.327 -12.853 -2.011 1.00 61.20 H new ATOM 0 HD13 ILE A 31 8.355 -11.770 -1.043 1.00 61.20 H new ATOM 507 N PRO A 32 11.852 -15.105 0.171 1.00 14.41 N ATOM 508 CA PRO A 32 12.979 -15.998 0.563 1.00 3.24 C ATOM 509 C PRO A 32 13.415 -16.951 -0.571 1.00 71.14 C ATOM 510 O PRO A 32 12.541 -17.492 -1.255 1.00 30.42 O ATOM 511 CB PRO A 32 12.401 -16.798 1.760 1.00 34.33 C ATOM 512 CG PRO A 32 11.337 -15.922 2.326 1.00 10.21 C ATOM 513 CD PRO A 32 10.732 -15.212 1.139 1.00 11.30 C ATOM 0 HA PRO A 32 13.878 -15.431 0.803 1.00 3.24 H new ATOM 0 HB2 PRO A 32 11.994 -17.756 1.436 1.00 34.33 H new ATOM 0 HB3 PRO A 32 13.171 -17.013 2.501 1.00 34.33 H new ATOM 0 HG2 PRO A 32 10.587 -16.508 2.858 1.00 10.21 H new ATOM 0 HG3 PRO A 32 11.752 -15.211 3.040 1.00 10.21 H new ATOM 0 HD2 PRO A 32 9.897 -15.774 0.722 1.00 11.30 H new ATOM 0 HD3 PRO A 32 10.349 -14.230 1.415 1.00 11.30 H new ATOM 521 N PRO A 33 14.757 -17.155 -0.806 1.00 63.21 N ATOM 522 CA PRO A 33 15.279 -18.145 -1.794 1.00 53.53 C ATOM 523 C PRO A 33 14.643 -19.556 -1.654 1.00 0.14 C ATOM 524 O PRO A 33 14.482 -20.270 -2.651 1.00 71.13 O ATOM 525 CB PRO A 33 16.819 -18.169 -1.530 1.00 65.50 C ATOM 526 CG PRO A 33 17.031 -17.374 -0.267 1.00 21.10 C ATOM 527 CD PRO A 33 15.879 -16.393 -0.190 1.00 71.22 C ATOM 0 HA PRO A 33 15.028 -17.857 -2.815 1.00 53.53 H new ATOM 0 HB2 PRO A 33 17.180 -19.191 -1.414 1.00 65.50 H new ATOM 0 HB3 PRO A 33 17.366 -17.730 -2.365 1.00 65.50 H new ATOM 0 HG2 PRO A 33 17.046 -18.026 0.606 1.00 21.10 H new ATOM 0 HG3 PRO A 33 17.987 -16.851 -0.291 1.00 21.10 H new ATOM 0 HD2 PRO A 33 15.658 -16.108 0.839 1.00 71.22 H new ATOM 0 HD3 PRO A 33 16.092 -15.474 -0.736 1.00 71.22 H new ATOM 535 N GLU A 34 14.265 -19.928 -0.410 1.00 14.11 N ATOM 536 CA GLU A 34 13.545 -21.186 -0.124 1.00 54.31 C ATOM 537 C GLU A 34 12.079 -21.133 -0.637 1.00 1.02 C ATOM 538 O GLU A 34 11.621 -22.050 -1.335 1.00 43.31 O ATOM 539 CB GLU A 34 13.601 -21.501 1.408 1.00 43.11 C ATOM 540 CG GLU A 34 12.998 -20.411 2.321 1.00 71.23 C ATOM 541 CD GLU A 34 13.262 -20.643 3.816 1.00 70.44 C ATOM 542 OE1 GLU A 34 14.320 -20.210 4.314 1.00 65.33 O ATOM 543 OE2 GLU A 34 12.417 -21.244 4.507 1.00 63.11 O ATOM 0 H GLU A 34 14.451 -19.365 0.420 1.00 14.11 H new ATOM 0 HA GLU A 34 14.041 -21.994 -0.662 1.00 54.31 H new ATOM 0 HB2 GLU A 34 13.075 -22.438 1.590 1.00 43.11 H new ATOM 0 HB3 GLU A 34 14.641 -21.658 1.693 1.00 43.11 H new ATOM 0 HG2 GLU A 34 13.408 -19.442 2.035 1.00 71.23 H new ATOM 0 HG3 GLU A 34 11.922 -20.364 2.154 1.00 71.23 H new ATOM 550 N GLU A 35 11.361 -20.039 -0.306 1.00 32.14 N ATOM 551 CA GLU A 35 9.918 -19.906 -0.567 1.00 2.44 C ATOM 552 C GLU A 35 9.614 -19.644 -2.052 1.00 14.54 C ATOM 553 O GLU A 35 8.615 -20.145 -2.568 1.00 61.12 O ATOM 554 CB GLU A 35 9.332 -18.784 0.335 1.00 1.22 C ATOM 555 CG GLU A 35 7.821 -18.498 0.133 1.00 10.30 C ATOM 556 CD GLU A 35 7.195 -17.602 1.210 1.00 33.53 C ATOM 557 OE1 GLU A 35 7.794 -16.563 1.546 1.00 32.04 O ATOM 558 OE2 GLU A 35 6.094 -17.926 1.713 1.00 34.23 O ATOM 0 H GLU A 35 11.769 -19.223 0.150 1.00 32.14 H new ATOM 0 HA GLU A 35 9.439 -20.854 -0.321 1.00 2.44 H new ATOM 0 HB2 GLU A 35 9.498 -19.054 1.378 1.00 1.22 H new ATOM 0 HB3 GLU A 35 9.888 -17.864 0.151 1.00 1.22 H new ATOM 0 HG2 GLU A 35 7.680 -18.028 -0.840 1.00 10.30 H new ATOM 0 HG3 GLU A 35 7.284 -19.446 0.110 1.00 10.30 H new ATOM 565 N ARG A 36 10.504 -18.906 -2.759 1.00 32.41 N ATOM 566 CA ARG A 36 10.264 -18.463 -4.156 1.00 0.14 C ATOM 567 C ARG A 36 10.291 -19.627 -5.185 1.00 42.35 C ATOM 568 O ARG A 36 10.103 -19.389 -6.388 1.00 71.52 O ATOM 569 CB ARG A 36 11.290 -17.364 -4.564 1.00 43.44 C ATOM 570 CG ARG A 36 12.754 -17.850 -4.650 1.00 64.12 C ATOM 571 CD ARG A 36 13.729 -16.769 -5.154 1.00 64.41 C ATOM 572 NE ARG A 36 13.890 -15.638 -4.209 1.00 74.25 N ATOM 573 CZ ARG A 36 14.917 -14.760 -4.224 1.00 74.41 C ATOM 574 NH1 ARG A 36 15.888 -14.859 -5.127 1.00 3.11 N ATOM 575 NH2 ARG A 36 14.966 -13.775 -3.337 1.00 32.11 N ATOM 0 H ARG A 36 11.402 -18.603 -2.382 1.00 32.41 H new ATOM 0 HA ARG A 36 9.255 -18.051 -4.176 1.00 0.14 H new ATOM 0 HB2 ARG A 36 10.999 -16.956 -5.532 1.00 43.44 H new ATOM 0 HB3 ARG A 36 11.234 -16.548 -3.844 1.00 43.44 H new ATOM 0 HG2 ARG A 36 13.075 -18.188 -3.665 1.00 64.12 H new ATOM 0 HG3 ARG A 36 12.804 -18.712 -5.315 1.00 64.12 H new ATOM 0 HD2 ARG A 36 14.703 -17.224 -5.335 1.00 64.41 H new ATOM 0 HD3 ARG A 36 13.373 -16.386 -6.111 1.00 64.41 H new ATOM 0 HE ARG A 36 13.173 -15.513 -3.495 1.00 74.25 H new ATOM 0 HH11 ARG A 36 15.864 -15.606 -5.822 1.00 3.11 H new ATOM 0 HH12 ARG A 36 16.656 -14.188 -5.125 1.00 3.11 H new ATOM 0 HH21 ARG A 36 14.227 -13.679 -2.641 1.00 32.11 H new ATOM 0 HH22 ARG A 36 15.743 -13.114 -3.351 1.00 32.11 H new ATOM 589 N ASP A 37 10.550 -20.870 -4.724 1.00 31.13 N ATOM 590 CA ASP A 37 10.447 -22.071 -5.575 1.00 20.21 C ATOM 591 C ASP A 37 9.005 -22.612 -5.562 1.00 71.20 C ATOM 592 O ASP A 37 8.394 -22.799 -6.622 1.00 31.15 O ATOM 593 CB ASP A 37 11.425 -23.170 -5.095 1.00 5.23 C ATOM 594 CG ASP A 37 11.421 -24.406 -6.022 1.00 30.33 C ATOM 595 OD1 ASP A 37 12.157 -24.399 -7.029 1.00 40.02 O ATOM 596 OD2 ASP A 37 10.666 -25.369 -5.768 1.00 75.34 O ATOM 0 H ASP A 37 10.833 -21.066 -3.764 1.00 31.13 H new ATOM 0 HA ASP A 37 10.714 -21.789 -6.594 1.00 20.21 H new ATOM 0 HB2 ASP A 37 12.433 -22.759 -5.046 1.00 5.23 H new ATOM 0 HB3 ASP A 37 11.156 -23.476 -4.084 1.00 5.23 H new ATOM 601 N ASP A 38 8.480 -22.847 -4.341 1.00 53.51 N ATOM 602 CA ASP A 38 7.153 -23.473 -4.125 1.00 40.42 C ATOM 603 C ASP A 38 6.030 -22.459 -4.376 1.00 63.33 C ATOM 604 O ASP A 38 4.944 -22.810 -4.841 1.00 31.33 O ATOM 605 CB ASP A 38 7.059 -24.019 -2.678 1.00 72.30 C ATOM 606 CG ASP A 38 8.184 -25.010 -2.358 1.00 70.04 C ATOM 607 OD1 ASP A 38 9.272 -24.570 -1.928 1.00 11.32 O ATOM 608 OD2 ASP A 38 8.002 -26.231 -2.562 1.00 53.52 O ATOM 0 H ASP A 38 8.963 -22.609 -3.475 1.00 53.51 H new ATOM 0 HA ASP A 38 7.038 -24.297 -4.829 1.00 40.42 H new ATOM 0 HB2 ASP A 38 7.099 -23.187 -1.975 1.00 72.30 H new ATOM 0 HB3 ASP A 38 6.095 -24.509 -2.538 1.00 72.30 H new ATOM 613 N PHE A 39 6.318 -21.208 -4.027 1.00 31.11 N ATOM 614 CA PHE A 39 5.473 -20.041 -4.311 1.00 5.14 C ATOM 615 C PHE A 39 6.109 -19.270 -5.480 1.00 1.12 C ATOM 616 O PHE A 39 7.308 -19.393 -5.725 1.00 65.32 O ATOM 617 CB PHE A 39 5.361 -19.130 -3.049 1.00 51.52 C ATOM 618 CG PHE A 39 4.703 -19.793 -1.827 1.00 21.05 C ATOM 619 CD1 PHE A 39 5.371 -20.780 -1.092 1.00 31.34 C ATOM 620 CD2 PHE A 39 3.424 -19.419 -1.403 1.00 23.10 C ATOM 621 CE1 PHE A 39 4.785 -21.369 0.012 1.00 52.10 C ATOM 622 CE2 PHE A 39 2.841 -20.014 -0.299 1.00 14.42 C ATOM 623 CZ PHE A 39 3.522 -20.987 0.409 1.00 21.03 C ATOM 0 H PHE A 39 7.171 -20.966 -3.523 1.00 31.11 H new ATOM 0 HA PHE A 39 4.465 -20.360 -4.577 1.00 5.14 H new ATOM 0 HB2 PHE A 39 6.361 -18.798 -2.769 1.00 51.52 H new ATOM 0 HB3 PHE A 39 4.791 -18.239 -3.312 1.00 51.52 H new ATOM 0 HD1 PHE A 39 6.362 -21.086 -1.393 1.00 31.34 H new ATOM 0 HD2 PHE A 39 2.885 -18.656 -1.944 1.00 23.10 H new ATOM 0 HE1 PHE A 39 5.317 -22.129 0.564 1.00 52.10 H new ATOM 0 HE2 PHE A 39 1.850 -19.717 0.011 1.00 14.42 H new ATOM 0 HZ PHE A 39 3.064 -21.447 1.272 1.00 21.03 H new ATOM 633 N ASP A 40 5.297 -18.493 -6.205 1.00 44.12 N ATOM 634 CA ASP A 40 5.759 -17.647 -7.328 1.00 60.35 C ATOM 635 C ASP A 40 6.688 -16.516 -6.847 1.00 73.31 C ATOM 636 O ASP A 40 6.830 -16.284 -5.638 1.00 1.23 O ATOM 637 CB ASP A 40 4.541 -17.066 -8.111 1.00 63.34 C ATOM 638 CG ASP A 40 3.826 -18.108 -8.988 1.00 34.01 C ATOM 639 OD1 ASP A 40 3.168 -19.010 -8.438 1.00 73.05 O ATOM 640 OD2 ASP A 40 3.924 -18.034 -10.235 1.00 10.30 O ATOM 0 H ASP A 40 4.294 -18.428 -6.034 1.00 44.12 H new ATOM 0 HA ASP A 40 6.338 -18.279 -8.001 1.00 60.35 H new ATOM 0 HB2 ASP A 40 3.827 -16.649 -7.401 1.00 63.34 H new ATOM 0 HB3 ASP A 40 4.882 -16.244 -8.741 1.00 63.34 H new ATOM 645 N GLY A 41 7.369 -15.882 -7.825 1.00 74.30 N ATOM 646 CA GLY A 41 8.142 -14.636 -7.643 1.00 33.24 C ATOM 647 C GLY A 41 7.342 -13.496 -6.995 1.00 51.43 C ATOM 648 O GLY A 41 6.581 -13.711 -6.045 1.00 40.20 O ATOM 0 H GLY A 41 7.397 -16.230 -8.783 1.00 74.30 H new ATOM 0 HA2 GLY A 41 9.016 -14.849 -7.027 1.00 33.24 H new ATOM 0 HA3 GLY A 41 8.509 -14.303 -8.614 1.00 33.24 H new ATOM 652 N LEU A 42 7.620 -12.248 -7.414 1.00 42.31 N ATOM 653 CA LEU A 42 6.794 -11.088 -7.015 1.00 25.13 C ATOM 654 C LEU A 42 5.325 -11.366 -7.433 1.00 4.14 C ATOM 655 O LEU A 42 4.931 -11.183 -8.595 1.00 25.44 O ATOM 656 CB LEU A 42 7.347 -9.746 -7.602 1.00 42.41 C ATOM 657 CG LEU A 42 6.651 -8.392 -7.143 1.00 50.43 C ATOM 658 CD1 LEU A 42 5.451 -8.007 -8.020 1.00 11.33 C ATOM 659 CD2 LEU A 42 6.230 -8.421 -5.654 1.00 22.41 C ATOM 0 H LEU A 42 8.404 -12.015 -8.024 1.00 42.31 H new ATOM 0 HA LEU A 42 6.835 -10.962 -5.933 1.00 25.13 H new ATOM 0 HB2 LEU A 42 8.405 -9.681 -7.349 1.00 42.41 H new ATOM 0 HB3 LEU A 42 7.282 -9.804 -8.689 1.00 42.41 H new ATOM 0 HG LEU A 42 7.414 -7.624 -7.270 1.00 50.43 H new ATOM 0 HD11 LEU A 42 5.019 -7.075 -7.656 1.00 11.33 H new ATOM 0 HD12 LEU A 42 5.781 -7.877 -9.051 1.00 11.33 H new ATOM 0 HD13 LEU A 42 4.700 -8.796 -7.976 1.00 11.33 H new ATOM 0 HD21 LEU A 42 5.760 -7.474 -5.390 1.00 22.41 H new ATOM 0 HD22 LEU A 42 5.523 -9.235 -5.492 1.00 22.41 H new ATOM 0 HD23 LEU A 42 7.110 -8.575 -5.030 1.00 22.41 H new ATOM 671 N SER A 43 4.581 -11.911 -6.466 1.00 11.52 N ATOM 672 CA SER A 43 3.173 -12.265 -6.582 1.00 64.43 C ATOM 673 C SER A 43 2.491 -11.918 -5.252 1.00 11.45 C ATOM 674 O SER A 43 3.081 -12.077 -4.174 1.00 64.25 O ATOM 675 CB SER A 43 3.014 -13.767 -6.926 1.00 63.00 C ATOM 676 OG SER A 43 3.660 -14.593 -5.971 1.00 0.33 O ATOM 0 H SER A 43 4.964 -12.124 -5.545 1.00 11.52 H new ATOM 0 HA SER A 43 2.704 -11.706 -7.392 1.00 64.43 H new ATOM 0 HB2 SER A 43 1.955 -14.021 -6.970 1.00 63.00 H new ATOM 0 HB3 SER A 43 3.429 -13.960 -7.915 1.00 63.00 H new ATOM 0 HG SER A 43 4.619 -14.391 -5.959 1.00 0.33 H new ATOM 682 N TYR A 44 1.251 -11.454 -5.348 1.00 14.35 N ATOM 683 CA TYR A 44 0.524 -10.821 -4.241 1.00 2.21 C ATOM 684 C TYR A 44 -0.988 -10.856 -4.540 1.00 31.20 C ATOM 685 O TYR A 44 -1.439 -11.656 -5.380 1.00 42.31 O ATOM 686 CB TYR A 44 1.064 -9.372 -4.005 1.00 60.12 C ATOM 687 CG TYR A 44 1.002 -8.435 -5.232 1.00 24.53 C ATOM 688 CD1 TYR A 44 2.018 -8.430 -6.192 1.00 54.23 C ATOM 689 CD2 TYR A 44 -0.073 -7.560 -5.429 1.00 5.30 C ATOM 690 CE1 TYR A 44 1.959 -7.600 -7.291 1.00 62.22 C ATOM 691 CE2 TYR A 44 -0.131 -6.731 -6.531 1.00 32.12 C ATOM 692 CZ TYR A 44 0.888 -6.758 -7.458 1.00 15.41 C ATOM 693 OH TYR A 44 0.839 -5.938 -8.553 1.00 32.44 O ATOM 0 H TYR A 44 0.708 -11.505 -6.210 1.00 14.35 H new ATOM 0 HA TYR A 44 0.687 -11.370 -3.314 1.00 2.21 H new ATOM 0 HB2 TYR A 44 0.496 -8.918 -3.193 1.00 60.12 H new ATOM 0 HB3 TYR A 44 2.100 -9.438 -3.671 1.00 60.12 H new ATOM 0 HD1 TYR A 44 2.865 -9.089 -6.070 1.00 54.23 H new ATOM 0 HD2 TYR A 44 -0.873 -7.533 -4.704 1.00 5.30 H new ATOM 0 HE1 TYR A 44 2.755 -7.612 -8.020 1.00 62.22 H new ATOM 0 HE2 TYR A 44 -0.970 -6.065 -6.666 1.00 32.12 H new ATOM 0 HH TYR A 44 1.407 -5.154 -8.401 1.00 32.44 H new ATOM 703 N PHE A 45 -1.766 -10.038 -3.799 1.00 71.32 N ATOM 704 CA PHE A 45 -3.222 -9.899 -4.008 1.00 50.22 C ATOM 705 C PHE A 45 -3.507 -9.512 -5.480 1.00 21.15 C ATOM 706 O PHE A 45 -2.866 -8.612 -6.030 1.00 54.42 O ATOM 707 CB PHE A 45 -3.818 -8.847 -3.027 1.00 21.13 C ATOM 708 CG PHE A 45 -3.805 -9.288 -1.563 1.00 43.10 C ATOM 709 CD1 PHE A 45 -2.605 -9.441 -0.865 1.00 1.22 C ATOM 710 CD2 PHE A 45 -4.996 -9.575 -0.891 1.00 4.13 C ATOM 711 CE1 PHE A 45 -2.599 -9.861 0.449 1.00 13.23 C ATOM 712 CE2 PHE A 45 -4.986 -9.998 0.421 1.00 53.24 C ATOM 713 CZ PHE A 45 -3.789 -10.142 1.091 1.00 20.41 C ATOM 0 H PHE A 45 -1.404 -9.458 -3.042 1.00 71.32 H new ATOM 0 HA PHE A 45 -3.703 -10.855 -3.802 1.00 50.22 H new ATOM 0 HB2 PHE A 45 -3.256 -7.918 -3.121 1.00 21.13 H new ATOM 0 HB3 PHE A 45 -4.845 -8.630 -3.322 1.00 21.13 H new ATOM 0 HD1 PHE A 45 -1.669 -9.228 -1.361 1.00 1.22 H new ATOM 0 HD2 PHE A 45 -5.938 -9.464 -1.407 1.00 4.13 H new ATOM 0 HE1 PHE A 45 -1.663 -9.970 0.976 1.00 13.23 H new ATOM 0 HE2 PHE A 45 -5.916 -10.217 0.925 1.00 53.24 H new ATOM 0 HZ PHE A 45 -3.782 -10.475 2.118 1.00 20.41 H new ATOM 723 N ASP A 46 -4.437 -10.232 -6.114 1.00 10.31 N ATOM 724 CA ASP A 46 -4.780 -10.048 -7.536 1.00 23.40 C ATOM 725 C ASP A 46 -5.870 -8.956 -7.658 1.00 42.32 C ATOM 726 O ASP A 46 -6.834 -8.980 -6.878 1.00 45.12 O ATOM 727 CB ASP A 46 -5.254 -11.397 -8.144 1.00 64.43 C ATOM 728 CG ASP A 46 -5.720 -11.299 -9.609 1.00 33.24 C ATOM 729 OD1 ASP A 46 -4.865 -11.317 -10.520 1.00 4.34 O ATOM 730 OD2 ASP A 46 -6.937 -11.194 -9.858 1.00 65.40 O ATOM 0 H ASP A 46 -4.979 -10.965 -5.656 1.00 10.31 H new ATOM 0 HA ASP A 46 -3.902 -9.723 -8.095 1.00 23.40 H new ATOM 0 HB2 ASP A 46 -4.439 -12.118 -8.081 1.00 64.43 H new ATOM 0 HB3 ASP A 46 -6.072 -11.788 -7.539 1.00 64.43 H new ATOM 735 N PRO A 47 -5.720 -7.980 -8.624 1.00 54.43 N ATOM 736 CA PRO A 47 -6.640 -6.811 -8.775 1.00 64.23 C ATOM 737 C PRO A 47 -8.117 -7.222 -8.952 1.00 44.24 C ATOM 738 O PRO A 47 -8.508 -7.769 -9.988 1.00 61.22 O ATOM 739 CB PRO A 47 -6.089 -6.088 -10.039 1.00 53.40 C ATOM 740 CG PRO A 47 -5.246 -7.109 -10.743 1.00 43.03 C ATOM 741 CD PRO A 47 -4.637 -7.935 -9.645 1.00 42.20 C ATOM 0 HA PRO A 47 -6.653 -6.182 -7.885 1.00 64.23 H new ATOM 0 HB2 PRO A 47 -6.900 -5.740 -10.678 1.00 53.40 H new ATOM 0 HB3 PRO A 47 -5.500 -5.212 -9.766 1.00 53.40 H new ATOM 0 HG2 PRO A 47 -5.848 -7.724 -11.412 1.00 43.03 H new ATOM 0 HG3 PRO A 47 -4.477 -6.634 -11.352 1.00 43.03 H new ATOM 0 HD2 PRO A 47 -4.367 -8.932 -9.992 1.00 42.20 H new ATOM 0 HD3 PRO A 47 -3.729 -7.478 -9.251 1.00 42.20 H new ATOM 749 N ASP A 48 -8.934 -6.955 -7.928 1.00 0.32 N ATOM 750 CA ASP A 48 -10.341 -7.368 -7.900 1.00 55.41 C ATOM 751 C ASP A 48 -11.240 -6.119 -8.052 1.00 23.53 C ATOM 752 O ASP A 48 -11.307 -5.294 -7.137 1.00 41.40 O ATOM 753 CB ASP A 48 -10.641 -8.122 -6.583 1.00 13.50 C ATOM 754 CG ASP A 48 -11.990 -8.852 -6.606 1.00 40.50 C ATOM 755 OD1 ASP A 48 -13.035 -8.204 -6.404 1.00 25.23 O ATOM 756 OD2 ASP A 48 -12.012 -10.078 -6.848 1.00 65.10 O ATOM 0 H ASP A 48 -8.638 -6.446 -7.095 1.00 0.32 H new ATOM 0 HA ASP A 48 -10.548 -8.047 -8.727 1.00 55.41 H new ATOM 0 HB2 ASP A 48 -9.846 -8.844 -6.395 1.00 13.50 H new ATOM 0 HB3 ASP A 48 -10.631 -7.414 -5.755 1.00 13.50 H new ATOM 761 N PRO A 49 -11.943 -5.959 -9.217 1.00 74.41 N ATOM 762 CA PRO A 49 -12.793 -4.766 -9.493 1.00 55.43 C ATOM 763 C PRO A 49 -14.024 -4.647 -8.552 1.00 72.55 C ATOM 764 O PRO A 49 -14.611 -3.569 -8.428 1.00 51.42 O ATOM 765 CB PRO A 49 -13.237 -4.968 -10.978 1.00 1.30 C ATOM 766 CG PRO A 49 -12.341 -6.043 -11.531 1.00 3.45 C ATOM 767 CD PRO A 49 -11.973 -6.916 -10.355 1.00 42.23 C ATOM 0 HA PRO A 49 -12.244 -3.840 -9.320 1.00 55.43 H new ATOM 0 HB2 PRO A 49 -14.284 -5.264 -11.036 1.00 1.30 H new ATOM 0 HB3 PRO A 49 -13.135 -4.043 -11.546 1.00 1.30 H new ATOM 0 HG2 PRO A 49 -12.852 -6.620 -12.302 1.00 3.45 H new ATOM 0 HG3 PRO A 49 -11.452 -5.612 -11.992 1.00 3.45 H new ATOM 0 HD2 PRO A 49 -12.706 -7.707 -10.196 1.00 42.23 H new ATOM 0 HD3 PRO A 49 -11.007 -7.400 -10.500 1.00 42.23 H new ATOM 775 N ASP A 50 -14.389 -5.759 -7.888 1.00 3.23 N ATOM 776 CA ASP A 50 -15.612 -5.851 -7.063 1.00 23.23 C ATOM 777 C ASP A 50 -15.324 -5.464 -5.600 1.00 10.32 C ATOM 778 O ASP A 50 -16.176 -4.871 -4.924 1.00 52.32 O ATOM 779 CB ASP A 50 -16.201 -7.286 -7.148 1.00 73.22 C ATOM 780 CG ASP A 50 -17.426 -7.497 -6.238 1.00 62.33 C ATOM 781 OD1 ASP A 50 -18.482 -6.885 -6.505 1.00 72.32 O ATOM 782 OD2 ASP A 50 -17.334 -8.250 -5.236 1.00 61.44 O ATOM 0 H ASP A 50 -13.845 -6.621 -7.907 1.00 3.23 H new ATOM 0 HA ASP A 50 -16.346 -5.146 -7.452 1.00 23.23 H new ATOM 0 HB2 ASP A 50 -16.483 -7.495 -8.180 1.00 73.22 H new ATOM 0 HB3 ASP A 50 -15.428 -8.005 -6.877 1.00 73.22 H new ATOM 787 N TYR A 51 -14.109 -5.780 -5.128 1.00 61.34 N ATOM 788 CA TYR A 51 -13.715 -5.570 -3.718 1.00 32.43 C ATOM 789 C TYR A 51 -13.232 -4.109 -3.516 1.00 5.12 C ATOM 790 O TYR A 51 -13.202 -3.597 -2.390 1.00 21.45 O ATOM 791 CB TYR A 51 -12.612 -6.596 -3.313 1.00 72.23 C ATOM 792 CG TYR A 51 -12.498 -6.821 -1.793 1.00 62.15 C ATOM 793 CD1 TYR A 51 -11.754 -5.959 -0.972 1.00 72.24 C ATOM 794 CD2 TYR A 51 -13.176 -7.877 -1.176 1.00 42.43 C ATOM 795 CE1 TYR A 51 -11.686 -6.152 0.392 1.00 51.43 C ATOM 796 CE2 TYR A 51 -13.113 -8.067 0.191 1.00 21.21 C ATOM 797 CZ TYR A 51 -12.371 -7.202 0.967 1.00 43.01 C ATOM 798 OH TYR A 51 -12.327 -7.379 2.325 1.00 75.05 O ATOM 0 H TYR A 51 -13.372 -6.186 -5.705 1.00 61.34 H new ATOM 0 HA TYR A 51 -14.577 -5.732 -3.072 1.00 32.43 H new ATOM 0 HB2 TYR A 51 -12.821 -7.550 -3.797 1.00 72.23 H new ATOM 0 HB3 TYR A 51 -11.651 -6.250 -3.693 1.00 72.23 H new ATOM 0 HD1 TYR A 51 -11.225 -5.129 -1.417 1.00 72.24 H new ATOM 0 HD2 TYR A 51 -13.760 -8.557 -1.779 1.00 42.43 H new ATOM 0 HE1 TYR A 51 -11.100 -5.485 1.006 1.00 51.43 H new ATOM 0 HE2 TYR A 51 -13.642 -8.889 0.650 1.00 21.21 H new ATOM 0 HH TYR A 51 -12.336 -8.337 2.530 1.00 75.05 H new ATOM 808 N ARG A 52 -12.883 -3.464 -4.642 1.00 23.44 N ATOM 809 CA ARG A 52 -12.386 -2.075 -4.704 1.00 22.11 C ATOM 810 C ARG A 52 -13.397 -1.077 -4.087 1.00 22.12 C ATOM 811 O ARG A 52 -14.595 -1.157 -4.377 1.00 63.23 O ATOM 812 CB ARG A 52 -12.156 -1.723 -6.195 1.00 72.23 C ATOM 813 CG ARG A 52 -11.396 -0.405 -6.457 1.00 13.21 C ATOM 814 CD ARG A 52 -11.302 -0.076 -7.963 1.00 32.44 C ATOM 815 NE ARG A 52 -12.603 0.353 -8.522 1.00 53.52 N ATOM 816 CZ ARG A 52 -13.315 -0.302 -9.451 1.00 50.14 C ATOM 817 NH1 ARG A 52 -12.877 -1.444 -9.970 1.00 51.04 N ATOM 818 NH2 ARG A 52 -14.467 0.196 -9.864 1.00 34.00 N ATOM 0 H ARG A 52 -12.940 -3.905 -5.560 1.00 23.44 H new ATOM 0 HA ARG A 52 -11.462 -1.999 -4.130 1.00 22.11 H new ATOM 0 HB2 ARG A 52 -11.605 -2.539 -6.662 1.00 72.23 H new ATOM 0 HB3 ARG A 52 -13.125 -1.668 -6.691 1.00 72.23 H new ATOM 0 HG2 ARG A 52 -11.899 0.412 -5.939 1.00 13.21 H new ATOM 0 HG3 ARG A 52 -10.392 -0.477 -6.039 1.00 13.21 H new ATOM 0 HD2 ARG A 52 -10.565 0.712 -8.116 1.00 32.44 H new ATOM 0 HD3 ARG A 52 -10.947 -0.953 -8.504 1.00 32.44 H new ATOM 0 HE ARG A 52 -12.994 1.226 -8.169 1.00 53.52 H new ATOM 0 HH11 ARG A 52 -11.987 -1.836 -9.663 1.00 51.04 H new ATOM 0 HH12 ARG A 52 -13.431 -1.929 -10.676 1.00 51.04 H new ATOM 0 HH21 ARG A 52 -14.811 1.075 -9.477 1.00 34.00 H new ATOM 0 HH22 ARG A 52 -15.012 -0.298 -10.570 1.00 34.00 H new ATOM 832 N VAL A 53 -12.904 -0.151 -3.240 1.00 34.31 N ATOM 833 CA VAL A 53 -13.721 0.938 -2.644 1.00 2.14 C ATOM 834 C VAL A 53 -13.114 2.303 -3.023 1.00 1.44 C ATOM 835 O VAL A 53 -12.018 2.365 -3.586 1.00 41.14 O ATOM 836 CB VAL A 53 -13.831 0.822 -1.066 1.00 42.53 C ATOM 837 CG1 VAL A 53 -14.400 -0.552 -0.638 1.00 1.11 C ATOM 838 CG2 VAL A 53 -12.476 1.107 -0.368 1.00 44.31 C ATOM 0 H VAL A 53 -11.927 -0.133 -2.946 1.00 34.31 H new ATOM 0 HA VAL A 53 -14.730 0.846 -3.046 1.00 2.14 H new ATOM 0 HB VAL A 53 -14.532 1.590 -0.739 1.00 42.53 H new ATOM 0 HG11 VAL A 53 -14.462 -0.597 0.449 1.00 1.11 H new ATOM 0 HG12 VAL A 53 -15.395 -0.682 -1.064 1.00 1.11 H new ATOM 0 HG13 VAL A 53 -13.745 -1.345 -0.998 1.00 1.11 H new ATOM 0 HG21 VAL A 53 -12.597 1.017 0.712 1.00 44.31 H new ATOM 0 HG22 VAL A 53 -11.732 0.388 -0.711 1.00 44.31 H new ATOM 0 HG23 VAL A 53 -12.146 2.116 -0.613 1.00 44.31 H new ATOM 848 N GLU A 54 -13.844 3.387 -2.728 1.00 24.20 N ATOM 849 CA GLU A 54 -13.349 4.777 -2.856 1.00 51.00 C ATOM 850 C GLU A 54 -13.238 5.408 -1.454 1.00 51.32 C ATOM 851 O GLU A 54 -13.932 4.986 -0.525 1.00 20.30 O ATOM 852 CB GLU A 54 -14.291 5.617 -3.763 1.00 41.21 C ATOM 853 CG GLU A 54 -15.755 5.696 -3.279 1.00 13.11 C ATOM 854 CD GLU A 54 -16.640 6.585 -4.168 1.00 31.00 C ATOM 855 OE1 GLU A 54 -17.013 6.151 -5.280 1.00 24.24 O ATOM 856 OE2 GLU A 54 -16.953 7.730 -3.774 1.00 30.03 O ATOM 0 H GLU A 54 -14.805 3.330 -2.390 1.00 24.20 H new ATOM 0 HA GLU A 54 -12.364 4.764 -3.324 1.00 51.00 H new ATOM 0 HB2 GLU A 54 -13.893 6.629 -3.838 1.00 41.21 H new ATOM 0 HB3 GLU A 54 -14.278 5.194 -4.767 1.00 41.21 H new ATOM 0 HG2 GLU A 54 -16.175 4.691 -3.248 1.00 13.11 H new ATOM 0 HG3 GLU A 54 -15.773 6.080 -2.259 1.00 13.11 H new ATOM 863 N ALA A 55 -12.351 6.402 -1.307 1.00 21.32 N ATOM 864 CA ALA A 55 -12.121 7.105 -0.030 1.00 60.41 C ATOM 865 C ALA A 55 -11.948 8.612 -0.262 1.00 15.14 C ATOM 866 O ALA A 55 -11.482 9.040 -1.325 1.00 73.44 O ATOM 867 CB ALA A 55 -10.882 6.532 0.672 1.00 0.15 C ATOM 0 H ALA A 55 -11.769 6.745 -2.071 1.00 21.32 H new ATOM 0 HA ALA A 55 -12.992 6.954 0.608 1.00 60.41 H new ATOM 0 HB1 ALA A 55 -10.721 7.058 1.613 1.00 0.15 H new ATOM 0 HB2 ALA A 55 -11.034 5.471 0.870 1.00 0.15 H new ATOM 0 HB3 ALA A 55 -10.009 6.660 0.032 1.00 0.15 H new ATOM 873 N THR A 56 -12.343 9.401 0.743 1.00 41.21 N ATOM 874 CA THR A 56 -12.167 10.853 0.755 1.00 1.15 C ATOM 875 C THR A 56 -10.849 11.203 1.477 1.00 73.21 C ATOM 876 O THR A 56 -10.610 10.753 2.598 1.00 75.34 O ATOM 877 CB THR A 56 -13.374 11.545 1.463 1.00 3.30 C ATOM 878 OG1 THR A 56 -14.607 11.102 0.856 1.00 43.25 O ATOM 879 CG2 THR A 56 -13.290 13.087 1.390 1.00 44.21 C ATOM 0 H THR A 56 -12.800 9.042 1.581 1.00 41.21 H new ATOM 0 HA THR A 56 -12.123 11.216 -0.272 1.00 1.15 H new ATOM 0 HB THR A 56 -13.344 11.262 2.515 1.00 3.30 H new ATOM 0 HG1 THR A 56 -15.365 11.535 1.301 1.00 43.25 H new ATOM 0 HG21 THR A 56 -14.151 13.523 1.896 1.00 44.21 H new ATOM 0 HG22 THR A 56 -12.375 13.425 1.876 1.00 44.21 H new ATOM 0 HG23 THR A 56 -13.285 13.402 0.347 1.00 44.21 H new ATOM 887 N VAL A 57 -10.008 11.997 0.809 1.00 42.20 N ATOM 888 CA VAL A 57 -8.690 12.409 1.301 1.00 41.32 C ATOM 889 C VAL A 57 -8.831 13.500 2.385 1.00 23.51 C ATOM 890 O VAL A 57 -9.697 14.371 2.287 1.00 11.22 O ATOM 891 CB VAL A 57 -7.800 12.960 0.122 1.00 34.43 C ATOM 892 CG1 VAL A 57 -6.334 13.182 0.566 1.00 31.13 C ATOM 893 CG2 VAL A 57 -7.873 12.031 -1.114 1.00 14.13 C ATOM 0 H VAL A 57 -10.229 12.380 -0.110 1.00 42.20 H new ATOM 0 HA VAL A 57 -8.208 11.532 1.733 1.00 41.32 H new ATOM 0 HB VAL A 57 -8.204 13.931 -0.163 1.00 34.43 H new ATOM 0 HG11 VAL A 57 -5.753 13.562 -0.274 1.00 31.13 H new ATOM 0 HG12 VAL A 57 -6.306 13.904 1.382 1.00 31.13 H new ATOM 0 HG13 VAL A 57 -5.909 12.237 0.903 1.00 31.13 H new ATOM 0 HG21 VAL A 57 -7.250 12.436 -1.911 1.00 14.13 H new ATOM 0 HG22 VAL A 57 -7.516 11.037 -0.844 1.00 14.13 H new ATOM 0 HG23 VAL A 57 -8.905 11.965 -1.459 1.00 14.13 H new ATOM 903 N THR A 58 -7.976 13.425 3.411 1.00 3.21 N ATOM 904 CA THR A 58 -7.914 14.405 4.506 1.00 1.30 C ATOM 905 C THR A 58 -6.443 14.815 4.691 1.00 62.52 C ATOM 906 O THR A 58 -5.673 14.104 5.344 1.00 60.02 O ATOM 907 CB THR A 58 -8.487 13.793 5.832 1.00 52.24 C ATOM 908 OG1 THR A 58 -9.789 13.233 5.577 1.00 64.45 O ATOM 909 CG2 THR A 58 -8.586 14.835 6.969 1.00 75.34 C ATOM 0 H THR A 58 -7.296 12.671 3.507 1.00 3.21 H new ATOM 0 HA THR A 58 -8.520 15.277 4.262 1.00 1.30 H new ATOM 0 HB THR A 58 -7.795 13.018 6.161 1.00 52.24 H new ATOM 0 HG1 THR A 58 -10.148 12.849 6.404 1.00 64.45 H new ATOM 0 HG21 THR A 58 -8.988 14.360 7.864 1.00 75.34 H new ATOM 0 HG22 THR A 58 -7.595 15.234 7.184 1.00 75.34 H new ATOM 0 HG23 THR A 58 -9.245 15.647 6.662 1.00 75.34 H new ATOM 917 N VAL A 59 -6.052 15.957 4.111 1.00 1.21 N ATOM 918 CA VAL A 59 -4.636 16.359 4.029 1.00 54.23 C ATOM 919 C VAL A 59 -4.251 17.163 5.273 1.00 1.14 C ATOM 920 O VAL A 59 -4.946 18.109 5.657 1.00 22.25 O ATOM 921 CB VAL A 59 -4.335 17.166 2.711 1.00 72.20 C ATOM 922 CG1 VAL A 59 -2.927 17.823 2.722 1.00 31.44 C ATOM 923 CG2 VAL A 59 -4.494 16.236 1.485 1.00 24.13 C ATOM 0 H VAL A 59 -6.698 16.624 3.689 1.00 1.21 H new ATOM 0 HA VAL A 59 -4.026 15.457 3.992 1.00 54.23 H new ATOM 0 HB VAL A 59 -5.057 17.981 2.650 1.00 72.20 H new ATOM 0 HG11 VAL A 59 -2.772 18.366 1.790 1.00 31.44 H new ATOM 0 HG12 VAL A 59 -2.855 18.514 3.562 1.00 31.44 H new ATOM 0 HG13 VAL A 59 -2.165 17.050 2.822 1.00 31.44 H new ATOM 0 HG21 VAL A 59 -4.285 16.796 0.574 1.00 24.13 H new ATOM 0 HG22 VAL A 59 -3.795 15.403 1.567 1.00 24.13 H new ATOM 0 HG23 VAL A 59 -5.514 15.852 1.449 1.00 24.13 H new ATOM 933 N HIS A 60 -3.135 16.755 5.897 1.00 64.33 N ATOM 934 CA HIS A 60 -2.610 17.348 7.123 1.00 70.44 C ATOM 935 C HIS A 60 -1.593 18.443 6.761 1.00 40.10 C ATOM 936 O HIS A 60 -0.541 18.152 6.187 1.00 41.04 O ATOM 937 CB HIS A 60 -1.966 16.244 8.015 1.00 12.22 C ATOM 938 CG HIS A 60 -2.966 15.249 8.551 1.00 63.42 C ATOM 939 ND1 HIS A 60 -3.818 14.527 7.740 1.00 23.21 N ATOM 940 CD2 HIS A 60 -3.296 14.910 9.820 1.00 44.30 C ATOM 941 CE1 HIS A 60 -4.619 13.797 8.485 1.00 35.23 C ATOM 942 NE2 HIS A 60 -4.324 14.008 9.751 1.00 3.02 N ATOM 0 H HIS A 60 -2.564 15.985 5.550 1.00 64.33 H new ATOM 0 HA HIS A 60 -3.420 17.804 7.693 1.00 70.44 H new ATOM 0 HB2 HIS A 60 -1.211 15.713 7.435 1.00 12.22 H new ATOM 0 HB3 HIS A 60 -1.451 16.717 8.851 1.00 12.22 H new ATOM 0 HD2 HIS A 60 -2.833 15.283 10.722 1.00 44.30 H new ATOM 0 HE1 HIS A 60 -5.390 13.135 8.120 1.00 35.23 H new ATOM 0 HE2 HIS A 60 -4.785 13.571 10.549 1.00 3.02 H new ATOM 951 N GLU A 61 -1.949 19.703 7.094 1.00 21.42 N ATOM 952 CA GLU A 61 -1.069 20.876 6.916 1.00 40.02 C ATOM 953 C GLU A 61 0.174 20.751 7.826 1.00 1.14 C ATOM 954 O GLU A 61 1.227 21.333 7.541 1.00 21.33 O ATOM 955 CB GLU A 61 -1.833 22.194 7.230 1.00 13.42 C ATOM 956 CG GLU A 61 -2.284 22.333 8.697 1.00 72.41 C ATOM 957 CD GLU A 61 -2.905 23.694 9.018 1.00 12.04 C ATOM 958 OE1 GLU A 61 -4.088 23.905 8.700 1.00 12.14 O ATOM 959 OE2 GLU A 61 -2.213 24.568 9.580 1.00 65.13 O ATOM 0 H GLU A 61 -2.858 19.934 7.495 1.00 21.42 H new ATOM 0 HA GLU A 61 -0.746 20.908 5.875 1.00 40.02 H new ATOM 0 HB2 GLU A 61 -1.193 23.040 6.977 1.00 13.42 H new ATOM 0 HB3 GLU A 61 -2.710 22.254 6.586 1.00 13.42 H new ATOM 0 HG2 GLU A 61 -3.008 21.550 8.922 1.00 72.41 H new ATOM 0 HG3 GLU A 61 -1.426 22.171 9.350 1.00 72.41 H new ATOM 966 N THR A 62 0.025 19.977 8.922 1.00 74.43 N ATOM 967 CA THR A 62 1.089 19.700 9.891 1.00 62.22 C ATOM 968 C THR A 62 1.371 18.173 9.911 1.00 73.14 C ATOM 969 O THR A 62 0.696 17.420 10.629 1.00 25.40 O ATOM 970 CB THR A 62 0.683 20.226 11.316 1.00 34.43 C ATOM 971 OG1 THR A 62 -0.608 19.709 11.685 1.00 32.55 O ATOM 972 CG2 THR A 62 0.632 21.765 11.369 1.00 13.54 C ATOM 0 H THR A 62 -0.857 19.522 9.156 1.00 74.43 H new ATOM 0 HA THR A 62 2.000 20.222 9.598 1.00 62.22 H new ATOM 0 HB THR A 62 1.445 19.880 12.014 1.00 34.43 H new ATOM 0 HG1 THR A 62 -0.652 18.754 11.468 1.00 32.55 H new ATOM 0 HG21 THR A 62 0.348 22.085 12.371 1.00 13.54 H new ATOM 0 HG22 THR A 62 1.614 22.170 11.123 1.00 13.54 H new ATOM 0 HG23 THR A 62 -0.101 22.130 10.650 1.00 13.54 H new ATOM 980 N PRO A 63 2.335 17.681 9.061 1.00 74.10 N ATOM 981 CA PRO A 63 2.677 16.238 8.981 1.00 74.05 C ATOM 982 C PRO A 63 3.612 15.771 10.130 1.00 63.22 C ATOM 983 O PRO A 63 4.612 16.431 10.435 1.00 64.31 O ATOM 984 CB PRO A 63 3.371 16.135 7.599 1.00 23.42 C ATOM 985 CG PRO A 63 4.041 17.467 7.402 1.00 70.33 C ATOM 986 CD PRO A 63 3.148 18.490 8.097 1.00 31.13 C ATOM 0 HA PRO A 63 1.804 15.594 9.085 1.00 74.05 H new ATOM 0 HB2 PRO A 63 4.096 15.321 7.581 1.00 23.42 H new ATOM 0 HB3 PRO A 63 2.648 15.935 6.808 1.00 23.42 H new ATOM 0 HG2 PRO A 63 5.043 17.468 7.831 1.00 70.33 H new ATOM 0 HG3 PRO A 63 4.148 17.698 6.342 1.00 70.33 H new ATOM 0 HD2 PRO A 63 3.738 19.247 8.613 1.00 31.13 H new ATOM 0 HD3 PRO A 63 2.512 19.013 7.383 1.00 31.13 H new ATOM 994 N GLU A 64 3.262 14.634 10.767 1.00 43.21 N ATOM 995 CA GLU A 64 4.088 14.010 11.826 1.00 73.35 C ATOM 996 C GLU A 64 5.096 13.020 11.205 1.00 41.43 C ATOM 997 O GLU A 64 4.907 12.552 10.073 1.00 52.35 O ATOM 998 CB GLU A 64 3.189 13.293 12.876 1.00 71.21 C ATOM 999 CG GLU A 64 2.339 12.132 12.322 1.00 21.22 C ATOM 1000 CD GLU A 64 1.556 11.388 13.418 1.00 20.24 C ATOM 1001 OE1 GLU A 64 0.465 11.852 13.805 1.00 33.15 O ATOM 1002 OE2 GLU A 64 2.032 10.342 13.910 1.00 73.52 O ATOM 0 H GLU A 64 2.403 14.123 10.564 1.00 43.21 H new ATOM 0 HA GLU A 64 4.644 14.796 12.338 1.00 73.35 H new ATOM 0 HB2 GLU A 64 3.824 12.910 13.675 1.00 71.21 H new ATOM 0 HB3 GLU A 64 2.522 14.029 13.325 1.00 71.21 H new ATOM 0 HG2 GLU A 64 1.639 12.521 11.583 1.00 21.22 H new ATOM 0 HG3 GLU A 64 2.989 11.427 11.805 1.00 21.22 H new ATOM 1009 N SER A 65 6.155 12.700 11.966 1.00 11.11 N ATOM 1010 CA SER A 65 7.247 11.820 11.517 1.00 14.32 C ATOM 1011 C SER A 65 7.012 10.368 11.997 1.00 40.31 C ATOM 1012 O SER A 65 6.900 10.116 13.201 1.00 23.14 O ATOM 1013 CB SER A 65 8.597 12.370 12.035 1.00 4.22 C ATOM 1014 OG SER A 65 8.622 12.514 13.450 1.00 54.13 O ATOM 0 H SER A 65 6.279 13.047 12.917 1.00 11.11 H new ATOM 0 HA SER A 65 7.271 11.803 10.427 1.00 14.32 H new ATOM 0 HB2 SER A 65 9.400 11.700 11.727 1.00 4.22 H new ATOM 0 HB3 SER A 65 8.793 13.337 11.572 1.00 4.22 H new ATOM 0 HG SER A 65 7.974 11.899 13.853 1.00 54.13 H new ATOM 1020 N VAL A 66 6.932 9.431 11.031 1.00 12.52 N ATOM 1021 CA VAL A 66 6.658 7.997 11.257 1.00 50.05 C ATOM 1022 C VAL A 66 7.732 7.177 10.511 1.00 3.13 C ATOM 1023 O VAL A 66 7.839 7.287 9.291 1.00 50.14 O ATOM 1024 CB VAL A 66 5.224 7.596 10.715 1.00 52.05 C ATOM 1025 CG1 VAL A 66 4.814 6.175 11.189 1.00 2.52 C ATOM 1026 CG2 VAL A 66 4.153 8.656 11.096 1.00 71.12 C ATOM 0 H VAL A 66 7.060 9.657 10.045 1.00 12.52 H new ATOM 0 HA VAL A 66 6.684 7.793 12.327 1.00 50.05 H new ATOM 0 HB VAL A 66 5.283 7.572 9.627 1.00 52.05 H new ATOM 0 HG11 VAL A 66 3.825 5.932 10.799 1.00 2.52 H new ATOM 0 HG12 VAL A 66 5.537 5.446 10.823 1.00 2.52 H new ATOM 0 HG13 VAL A 66 4.791 6.147 12.278 1.00 2.52 H new ATOM 0 HG21 VAL A 66 3.182 8.348 10.708 1.00 71.12 H new ATOM 0 HG22 VAL A 66 4.099 8.745 12.181 1.00 71.12 H new ATOM 0 HG23 VAL A 66 4.426 9.620 10.667 1.00 71.12 H new ATOM 1036 N ASP A 67 8.521 6.352 11.227 1.00 42.51 N ATOM 1037 CA ASP A 67 9.642 5.607 10.603 1.00 21.25 C ATOM 1038 C ASP A 67 9.122 4.288 9.984 1.00 24.24 C ATOM 1039 O ASP A 67 8.536 3.449 10.673 1.00 72.13 O ATOM 1040 CB ASP A 67 10.808 5.375 11.606 1.00 30.33 C ATOM 1041 CG ASP A 67 10.444 4.515 12.828 1.00 12.21 C ATOM 1042 OD1 ASP A 67 9.758 5.021 13.745 1.00 1.54 O ATOM 1043 OD2 ASP A 67 10.841 3.334 12.878 1.00 64.42 O ATOM 0 H ASP A 67 8.408 6.183 12.227 1.00 42.51 H new ATOM 0 HA ASP A 67 10.057 6.212 9.797 1.00 21.25 H new ATOM 0 HB2 ASP A 67 11.634 4.900 11.078 1.00 30.33 H new ATOM 0 HB3 ASP A 67 11.167 6.343 11.954 1.00 30.33 H new ATOM 1048 N LEU A 68 9.293 4.147 8.654 1.00 32.41 N ATOM 1049 CA LEU A 68 8.744 3.014 7.869 1.00 54.00 C ATOM 1050 C LEU A 68 9.799 2.465 6.890 1.00 12.44 C ATOM 1051 O LEU A 68 10.791 3.147 6.584 1.00 2.25 O ATOM 1052 CB LEU A 68 7.491 3.470 7.056 1.00 73.44 C ATOM 1053 CG LEU A 68 6.292 4.073 7.864 1.00 14.41 C ATOM 1054 CD1 LEU A 68 5.203 4.601 6.919 1.00 11.43 C ATOM 1055 CD2 LEU A 68 5.697 3.054 8.865 1.00 52.20 C ATOM 0 H LEU A 68 9.817 4.816 8.089 1.00 32.41 H new ATOM 0 HA LEU A 68 8.461 2.230 8.572 1.00 54.00 H new ATOM 0 HB2 LEU A 68 7.814 4.213 6.327 1.00 73.44 H new ATOM 0 HB3 LEU A 68 7.122 2.612 6.495 1.00 73.44 H new ATOM 0 HG LEU A 68 6.684 4.909 8.443 1.00 14.41 H new ATOM 0 HD11 LEU A 68 4.382 5.014 7.505 1.00 11.43 H new ATOM 0 HD12 LEU A 68 5.621 5.379 6.281 1.00 11.43 H new ATOM 0 HD13 LEU A 68 4.832 3.785 6.300 1.00 11.43 H new ATOM 0 HD21 LEU A 68 4.869 3.514 9.403 1.00 52.20 H new ATOM 0 HD22 LEU A 68 5.336 2.180 8.323 1.00 52.20 H new ATOM 0 HD23 LEU A 68 6.466 2.749 9.575 1.00 52.20 H new ATOM 1067 N GLU A 69 9.558 1.231 6.396 1.00 23.20 N ATOM 1068 CA GLU A 69 10.328 0.635 5.285 1.00 63.40 C ATOM 1069 C GLU A 69 10.108 1.462 4.013 1.00 14.44 C ATOM 1070 O GLU A 69 8.966 1.801 3.673 1.00 61.03 O ATOM 1071 CB GLU A 69 9.884 -0.829 5.033 1.00 55.21 C ATOM 1072 CG GLU A 69 10.223 -1.805 6.171 1.00 62.51 C ATOM 1073 CD GLU A 69 9.476 -3.139 6.044 1.00 45.42 C ATOM 1074 OE1 GLU A 69 8.248 -3.137 6.205 1.00 24.41 O ATOM 1075 OE2 GLU A 69 10.099 -4.179 5.788 1.00 61.14 O ATOM 0 H GLU A 69 8.824 0.621 6.757 1.00 23.20 H new ATOM 0 HA GLU A 69 11.385 0.637 5.552 1.00 63.40 H new ATOM 0 HB2 GLU A 69 8.807 -0.845 4.867 1.00 55.21 H new ATOM 0 HB3 GLU A 69 10.353 -1.184 4.115 1.00 55.21 H new ATOM 0 HG2 GLU A 69 11.297 -1.993 6.176 1.00 62.51 H new ATOM 0 HG3 GLU A 69 9.975 -1.343 7.127 1.00 62.51 H new ATOM 1082 N THR A 70 11.201 1.807 3.338 1.00 12.33 N ATOM 1083 CA THR A 70 11.172 2.657 2.140 1.00 24.34 C ATOM 1084 C THR A 70 11.516 1.862 0.867 1.00 4.35 C ATOM 1085 O THR A 70 11.677 0.635 0.905 1.00 62.02 O ATOM 1086 CB THR A 70 12.132 3.877 2.357 1.00 33.24 C ATOM 1087 OG1 THR A 70 11.986 4.840 1.310 1.00 32.21 O ATOM 1088 CG2 THR A 70 13.606 3.465 2.475 1.00 10.31 C ATOM 0 H THR A 70 12.139 1.506 3.604 1.00 12.33 H new ATOM 0 HA THR A 70 10.160 3.032 1.990 1.00 24.34 H new ATOM 0 HB THR A 70 11.838 4.324 3.307 1.00 33.24 H new ATOM 0 HG1 THR A 70 12.837 5.306 1.173 1.00 32.21 H new ATOM 0 HG21 THR A 70 14.221 4.352 2.624 1.00 10.31 H new ATOM 0 HG22 THR A 70 13.729 2.792 3.323 1.00 10.31 H new ATOM 0 HG23 THR A 70 13.916 2.958 1.561 1.00 10.31 H new ATOM 1096 N SER A 71 11.671 2.597 -0.249 1.00 70.23 N ATOM 1097 CA SER A 71 11.876 2.058 -1.595 1.00 34.54 C ATOM 1098 C SER A 71 13.403 1.885 -1.858 1.00 23.12 C ATOM 1099 O SER A 71 13.837 1.598 -2.978 1.00 55.50 O ATOM 1100 CB SER A 71 11.220 3.073 -2.577 1.00 0.12 C ATOM 1101 OG SER A 71 11.129 2.580 -3.894 1.00 52.02 O ATOM 0 H SER A 71 11.656 3.617 -0.232 1.00 70.23 H new ATOM 0 HA SER A 71 11.424 1.075 -1.725 1.00 34.54 H new ATOM 0 HB2 SER A 71 10.222 3.325 -2.219 1.00 0.12 H new ATOM 0 HB3 SER A 71 11.800 3.996 -2.579 1.00 0.12 H new ATOM 0 HG SER A 71 10.709 3.255 -4.468 1.00 52.02 H new ATOM 1107 N ASP A 72 14.198 2.034 -0.776 1.00 41.31 N ATOM 1108 CA ASP A 72 15.674 2.096 -0.813 1.00 65.14 C ATOM 1109 C ASP A 72 16.293 0.988 0.082 1.00 64.53 C ATOM 1110 O ASP A 72 17.491 1.006 0.366 1.00 73.22 O ATOM 1111 CB ASP A 72 16.099 3.532 -0.349 1.00 32.12 C ATOM 1112 CG ASP A 72 17.612 3.838 -0.451 1.00 24.02 C ATOM 1113 OD1 ASP A 72 18.137 3.923 -1.583 1.00 73.21 O ATOM 1114 OD2 ASP A 72 18.273 4.030 0.593 1.00 34.21 O ATOM 0 H ASP A 72 13.822 2.116 0.169 1.00 41.31 H new ATOM 0 HA ASP A 72 16.044 1.915 -1.822 1.00 65.14 H new ATOM 0 HB2 ASP A 72 15.556 4.265 -0.946 1.00 32.12 H new ATOM 0 HB3 ASP A 72 15.786 3.669 0.686 1.00 32.12 H new ATOM 1119 N ASP A 73 15.449 0.004 0.497 1.00 53.15 N ATOM 1120 CA ASP A 73 15.823 -1.130 1.413 1.00 2.22 C ATOM 1121 C ASP A 73 16.063 -0.675 2.876 1.00 74.25 C ATOM 1122 O ASP A 73 16.414 -1.494 3.739 1.00 12.04 O ATOM 1123 CB ASP A 73 17.073 -1.946 0.933 1.00 3.33 C ATOM 1124 CG ASP A 73 17.002 -2.415 -0.522 1.00 74.24 C ATOM 1125 OD1 ASP A 73 16.061 -3.152 -0.870 1.00 33.23 O ATOM 1126 OD2 ASP A 73 17.889 -2.037 -1.323 1.00 45.53 O ATOM 0 H ASP A 73 14.472 -0.032 0.205 1.00 53.15 H new ATOM 0 HA ASP A 73 14.951 -1.783 1.378 1.00 2.22 H new ATOM 0 HB2 ASP A 73 17.964 -1.331 1.061 1.00 3.33 H new ATOM 0 HB3 ASP A 73 17.192 -2.817 1.577 1.00 3.33 H new ATOM 1131 N ARG A 74 15.845 0.615 3.147 1.00 23.12 N ATOM 1132 CA ARG A 74 16.201 1.254 4.426 1.00 60.15 C ATOM 1133 C ARG A 74 14.925 1.452 5.291 1.00 1.13 C ATOM 1134 O ARG A 74 13.818 1.055 4.891 1.00 72.43 O ATOM 1135 CB ARG A 74 16.932 2.603 4.078 1.00 63.01 C ATOM 1136 CG ARG A 74 17.679 3.308 5.242 1.00 71.42 C ATOM 1137 CD ARG A 74 18.503 4.528 4.799 1.00 31.32 C ATOM 1138 NE ARG A 74 19.593 4.153 3.884 1.00 50.35 N ATOM 1139 CZ ARG A 74 20.439 5.008 3.289 1.00 42.01 C ATOM 1140 NH1 ARG A 74 20.353 6.316 3.504 1.00 74.45 N ATOM 1141 NH2 ARG A 74 21.357 4.544 2.455 1.00 33.21 N ATOM 0 H ARG A 74 15.412 1.255 2.481 1.00 23.12 H new ATOM 0 HA ARG A 74 16.871 0.636 5.023 1.00 60.15 H new ATOM 0 HB2 ARG A 74 17.650 2.406 3.282 1.00 63.01 H new ATOM 0 HB3 ARG A 74 16.194 3.297 3.677 1.00 63.01 H new ATOM 0 HG2 ARG A 74 16.952 3.624 5.990 1.00 71.42 H new ATOM 0 HG3 ARG A 74 18.341 2.589 5.725 1.00 71.42 H new ATOM 0 HD2 ARG A 74 17.849 5.249 4.308 1.00 31.32 H new ATOM 0 HD3 ARG A 74 18.920 5.022 5.677 1.00 31.32 H new ATOM 0 HE ARG A 74 19.716 3.160 3.685 1.00 50.35 H new ATOM 0 HH11 ARG A 74 19.636 6.684 4.129 1.00 74.45 H new ATOM 0 HH12 ARG A 74 21.004 6.952 3.044 1.00 74.45 H new ATOM 0 HH21 ARG A 74 21.417 3.543 2.269 1.00 33.21 H new ATOM 0 HH22 ARG A 74 22.004 5.188 1.999 1.00 33.21 H new ATOM 1155 N THR A 75 15.097 2.076 6.457 1.00 24.40 N ATOM 1156 CA THR A 75 14.010 2.526 7.323 1.00 24.04 C ATOM 1157 C THR A 75 14.238 4.029 7.518 1.00 62.12 C ATOM 1158 O THR A 75 15.329 4.439 7.937 1.00 74.25 O ATOM 1159 CB THR A 75 13.988 1.778 8.690 1.00 72.30 C ATOM 1160 OG1 THR A 75 13.686 0.390 8.460 1.00 14.21 O ATOM 1161 CG2 THR A 75 12.952 2.374 9.672 1.00 60.25 C ATOM 0 H THR A 75 16.021 2.287 6.834 1.00 24.40 H new ATOM 0 HA THR A 75 13.042 2.314 6.870 1.00 24.04 H new ATOM 0 HB THR A 75 14.971 1.891 9.147 1.00 72.30 H new ATOM 0 HG1 THR A 75 14.445 -0.161 8.742 1.00 14.21 H new ATOM 0 HG21 THR A 75 12.977 1.817 10.609 1.00 60.25 H new ATOM 0 HG22 THR A 75 13.193 3.419 9.865 1.00 60.25 H new ATOM 0 HG23 THR A 75 11.956 2.306 9.235 1.00 60.25 H new ATOM 1169 N VAL A 76 13.220 4.842 7.206 1.00 33.31 N ATOM 1170 CA VAL A 76 13.373 6.303 7.072 1.00 20.03 C ATOM 1171 C VAL A 76 12.150 7.029 7.620 1.00 23.20 C ATOM 1172 O VAL A 76 11.074 6.441 7.786 1.00 44.22 O ATOM 1173 CB VAL A 76 13.636 6.776 5.579 1.00 54.35 C ATOM 1174 CG1 VAL A 76 14.942 6.182 4.994 1.00 1.31 C ATOM 1175 CG2 VAL A 76 12.438 6.487 4.672 1.00 51.51 C ATOM 0 H VAL A 76 12.270 4.511 7.039 1.00 33.31 H new ATOM 0 HA VAL A 76 14.256 6.561 7.656 1.00 20.03 H new ATOM 0 HB VAL A 76 13.767 7.857 5.617 1.00 54.35 H new ATOM 0 HG11 VAL A 76 15.076 6.535 3.972 1.00 1.31 H new ATOM 0 HG12 VAL A 76 15.790 6.498 5.602 1.00 1.31 H new ATOM 0 HG13 VAL A 76 14.880 5.094 4.996 1.00 1.31 H new ATOM 0 HG21 VAL A 76 12.658 6.826 3.660 1.00 51.51 H new ATOM 0 HG22 VAL A 76 12.240 5.415 4.661 1.00 51.51 H new ATOM 0 HG23 VAL A 76 11.561 7.014 5.048 1.00 51.51 H new ATOM 1185 N ARG A 77 12.364 8.315 7.900 1.00 25.11 N ATOM 1186 CA ARG A 77 11.339 9.255 8.340 1.00 15.43 C ATOM 1187 C ARG A 77 10.329 9.459 7.197 1.00 50.14 C ATOM 1188 O ARG A 77 10.725 9.802 6.087 1.00 24.01 O ATOM 1189 CB ARG A 77 12.056 10.591 8.749 1.00 75.41 C ATOM 1190 CG ARG A 77 11.198 11.694 9.441 1.00 65.35 C ATOM 1191 CD ARG A 77 10.253 12.455 8.489 1.00 63.11 C ATOM 1192 NE ARG A 77 10.958 12.954 7.293 1.00 73.24 N ATOM 1193 CZ ARG A 77 11.205 14.240 7.013 1.00 63.25 C ATOM 1194 NH1 ARG A 77 10.798 15.211 7.825 1.00 15.32 N ATOM 1195 NH2 ARG A 77 11.894 14.549 5.940 1.00 41.24 N ATOM 0 H ARG A 77 13.287 8.743 7.823 1.00 25.11 H new ATOM 0 HA ARG A 77 10.786 8.882 9.202 1.00 15.43 H new ATOM 0 HB2 ARG A 77 12.879 10.338 9.417 1.00 75.41 H new ATOM 0 HB3 ARG A 77 12.496 11.024 7.851 1.00 75.41 H new ATOM 0 HG2 ARG A 77 10.605 11.234 10.231 1.00 65.35 H new ATOM 0 HG3 ARG A 77 11.866 12.410 9.920 1.00 65.35 H new ATOM 0 HD2 ARG A 77 9.440 11.797 8.182 1.00 63.11 H new ATOM 0 HD3 ARG A 77 9.802 13.293 9.020 1.00 63.11 H new ATOM 0 HE ARG A 77 11.286 12.260 6.621 1.00 73.24 H new ATOM 0 HH11 ARG A 77 10.288 14.982 8.678 1.00 15.32 H new ATOM 0 HH12 ARG A 77 10.996 16.185 7.595 1.00 15.32 H new ATOM 0 HH21 ARG A 77 12.238 13.812 5.325 1.00 41.24 H new ATOM 0 HH22 ARG A 77 12.086 15.527 5.721 1.00 41.24 H new ATOM 1209 N TYR A 78 9.048 9.200 7.473 1.00 14.45 N ATOM 1210 CA TYR A 78 7.916 9.545 6.586 1.00 15.23 C ATOM 1211 C TYR A 78 7.097 10.679 7.230 1.00 22.43 C ATOM 1212 O TYR A 78 6.966 10.731 8.446 1.00 22.51 O ATOM 1213 CB TYR A 78 7.000 8.304 6.347 1.00 71.14 C ATOM 1214 CG TYR A 78 7.480 7.308 5.278 1.00 31.31 C ATOM 1215 CD1 TYR A 78 8.741 6.719 5.336 1.00 1.23 C ATOM 1216 CD2 TYR A 78 6.652 6.953 4.205 1.00 2.21 C ATOM 1217 CE1 TYR A 78 9.148 5.824 4.370 1.00 5.55 C ATOM 1218 CE2 TYR A 78 7.057 6.062 3.248 1.00 24.51 C ATOM 1219 CZ TYR A 78 8.299 5.504 3.328 1.00 14.44 C ATOM 1220 OH TYR A 78 8.688 4.611 2.370 1.00 2.51 O ATOM 0 H TYR A 78 8.755 8.736 8.333 1.00 14.45 H new ATOM 0 HA TYR A 78 8.309 9.870 5.623 1.00 15.23 H new ATOM 0 HB2 TYR A 78 6.892 7.770 7.291 1.00 71.14 H new ATOM 0 HB3 TYR A 78 6.008 8.658 6.066 1.00 71.14 H new ATOM 0 HD1 TYR A 78 9.408 6.967 6.148 1.00 1.23 H new ATOM 0 HD2 TYR A 78 5.669 7.394 4.131 1.00 2.21 H new ATOM 0 HE1 TYR A 78 10.128 5.374 4.427 1.00 5.55 H new ATOM 0 HE2 TYR A 78 6.397 5.802 2.434 1.00 24.51 H new ATOM 0 HH TYR A 78 7.969 4.502 1.713 1.00 2.51 H new ATOM 1230 N LEU A 79 6.568 11.580 6.406 1.00 32.40 N ATOM 1231 CA LEU A 79 5.669 12.658 6.833 1.00 73.10 C ATOM 1232 C LEU A 79 4.232 12.292 6.464 1.00 22.03 C ATOM 1233 O LEU A 79 3.943 12.034 5.287 1.00 33.41 O ATOM 1234 CB LEU A 79 6.083 14.001 6.168 1.00 71.35 C ATOM 1235 CG LEU A 79 7.413 14.632 6.683 1.00 61.14 C ATOM 1236 CD1 LEU A 79 7.758 15.922 5.911 1.00 44.12 C ATOM 1237 CD2 LEU A 79 7.346 14.891 8.210 1.00 23.52 C ATOM 0 H LEU A 79 6.753 11.585 5.403 1.00 32.40 H new ATOM 0 HA LEU A 79 5.738 12.782 7.914 1.00 73.10 H new ATOM 0 HB2 LEU A 79 6.171 13.841 5.093 1.00 71.35 H new ATOM 0 HB3 LEU A 79 5.279 14.722 6.318 1.00 71.35 H new ATOM 0 HG LEU A 79 8.215 13.917 6.499 1.00 61.14 H new ATOM 0 HD11 LEU A 79 8.690 16.337 6.294 1.00 44.12 H new ATOM 0 HD12 LEU A 79 7.871 15.693 4.851 1.00 44.12 H new ATOM 0 HD13 LEU A 79 6.957 16.649 6.041 1.00 44.12 H new ATOM 0 HD21 LEU A 79 8.285 15.331 8.546 1.00 23.52 H new ATOM 0 HD22 LEU A 79 6.526 15.575 8.427 1.00 23.52 H new ATOM 0 HD23 LEU A 79 7.180 13.949 8.732 1.00 23.52 H new ATOM 1249 N HIS A 80 3.346 12.260 7.480 1.00 34.22 N ATOM 1250 CA HIS A 80 1.928 11.936 7.294 1.00 50.15 C ATOM 1251 C HIS A 80 1.219 13.117 6.603 1.00 40.11 C ATOM 1252 O HIS A 80 0.858 14.107 7.245 1.00 25.43 O ATOM 1253 CB HIS A 80 1.279 11.611 8.670 1.00 55.24 C ATOM 1254 CG HIS A 80 -0.194 11.302 8.603 1.00 51.20 C ATOM 1255 ND1 HIS A 80 -1.072 11.819 9.519 1.00 60.24 N ATOM 1256 CD2 HIS A 80 -0.885 10.526 7.726 1.00 21.30 C ATOM 1257 CE1 HIS A 80 -2.254 11.357 9.188 1.00 31.44 C ATOM 1258 NE2 HIS A 80 -2.194 10.571 8.111 1.00 31.04 N ATOM 0 H HIS A 80 3.598 12.458 8.448 1.00 34.22 H new ATOM 0 HA HIS A 80 1.827 11.057 6.658 1.00 50.15 H new ATOM 0 HB2 HIS A 80 1.797 10.760 9.111 1.00 55.24 H new ATOM 0 HB3 HIS A 80 1.431 12.458 9.339 1.00 55.24 H new ATOM 0 HD1 HIS A 80 -0.851 12.437 10.300 1.00 60.24 H new ATOM 0 HD2 HIS A 80 -0.478 9.980 6.888 1.00 21.30 H new ATOM 0 HE1 HIS A 80 -3.165 11.585 9.722 1.00 31.44 H new ATOM 1266 N VAL A 81 1.027 12.989 5.287 1.00 45.13 N ATOM 1267 CA VAL A 81 0.502 14.072 4.437 1.00 71.53 C ATOM 1268 C VAL A 81 -1.021 13.987 4.262 1.00 12.02 C ATOM 1269 O VAL A 81 -1.665 15.013 4.072 1.00 71.00 O ATOM 1270 CB VAL A 81 1.212 14.094 3.027 1.00 32.21 C ATOM 1271 CG1 VAL A 81 2.722 14.422 3.180 1.00 0.13 C ATOM 1272 CG2 VAL A 81 1.000 12.756 2.261 1.00 34.10 C ATOM 0 H VAL A 81 1.231 12.130 4.775 1.00 45.13 H new ATOM 0 HA VAL A 81 0.725 15.005 4.954 1.00 71.53 H new ATOM 0 HB VAL A 81 0.752 14.883 2.432 1.00 32.21 H new ATOM 0 HG11 VAL A 81 3.193 14.432 2.197 1.00 0.13 H new ATOM 0 HG12 VAL A 81 2.836 15.400 3.648 1.00 0.13 H new ATOM 0 HG13 VAL A 81 3.198 13.664 3.803 1.00 0.13 H new ATOM 0 HG21 VAL A 81 1.502 12.806 1.295 1.00 34.10 H new ATOM 0 HG22 VAL A 81 1.415 11.934 2.843 1.00 34.10 H new ATOM 0 HG23 VAL A 81 -0.066 12.590 2.108 1.00 34.10 H new ATOM 1282 N ALA A 82 -1.596 12.774 4.317 1.00 34.21 N ATOM 1283 CA ALA A 82 -3.044 12.583 4.091 1.00 71.22 C ATOM 1284 C ALA A 82 -3.586 11.372 4.845 1.00 43.04 C ATOM 1285 O ALA A 82 -2.831 10.505 5.248 1.00 21.44 O ATOM 1286 CB ALA A 82 -3.334 12.453 2.581 1.00 40.11 C ATOM 0 H ALA A 82 -1.086 11.913 4.515 1.00 34.21 H new ATOM 0 HA ALA A 82 -3.557 13.462 4.480 1.00 71.22 H new ATOM 0 HB1 ALA A 82 -4.404 12.313 2.427 1.00 40.11 H new ATOM 0 HB2 ALA A 82 -3.009 13.359 2.069 1.00 40.11 H new ATOM 0 HB3 ALA A 82 -2.794 11.596 2.179 1.00 40.11 H new ATOM 1292 N THR A 83 -4.911 11.346 5.041 1.00 32.13 N ATOM 1293 CA THR A 83 -5.641 10.178 5.553 1.00 24.01 C ATOM 1294 C THR A 83 -6.836 9.896 4.625 1.00 34.02 C ATOM 1295 O THR A 83 -7.641 10.788 4.354 1.00 5.15 O ATOM 1296 CB THR A 83 -6.143 10.386 7.016 1.00 4.14 C ATOM 1297 OG1 THR A 83 -5.034 10.691 7.872 1.00 72.52 O ATOM 1298 CG2 THR A 83 -6.870 9.142 7.557 1.00 54.31 C ATOM 0 H THR A 83 -5.514 12.145 4.846 1.00 32.13 H new ATOM 0 HA THR A 83 -4.956 9.330 5.569 1.00 24.01 H new ATOM 0 HB THR A 83 -6.851 11.215 7.003 1.00 4.14 H new ATOM 0 HG1 THR A 83 -4.200 10.420 7.435 1.00 72.52 H new ATOM 0 HG21 THR A 83 -7.203 9.330 8.578 1.00 54.31 H new ATOM 0 HG22 THR A 83 -7.733 8.923 6.929 1.00 54.31 H new ATOM 0 HG23 THR A 83 -6.190 8.290 7.548 1.00 54.31 H new ATOM 1306 N LEU A 84 -6.922 8.662 4.136 1.00 64.53 N ATOM 1307 CA LEU A 84 -7.945 8.230 3.186 1.00 11.22 C ATOM 1308 C LEU A 84 -9.091 7.577 3.984 1.00 15.23 C ATOM 1309 O LEU A 84 -8.971 6.434 4.423 1.00 40.05 O ATOM 1310 CB LEU A 84 -7.300 7.244 2.161 1.00 4.34 C ATOM 1311 CG LEU A 84 -5.888 7.669 1.606 1.00 10.10 C ATOM 1312 CD1 LEU A 84 -5.324 6.625 0.627 1.00 12.15 C ATOM 1313 CD2 LEU A 84 -5.922 9.082 0.967 1.00 33.23 C ATOM 0 H LEU A 84 -6.271 7.920 4.393 1.00 64.53 H new ATOM 0 HA LEU A 84 -8.353 9.068 2.621 1.00 11.22 H new ATOM 0 HB2 LEU A 84 -7.206 6.266 2.634 1.00 4.34 H new ATOM 0 HB3 LEU A 84 -7.982 7.126 1.319 1.00 4.34 H new ATOM 0 HG LEU A 84 -5.212 7.715 2.460 1.00 10.10 H new ATOM 0 HD11 LEU A 84 -4.349 6.954 0.266 1.00 12.15 H new ATOM 0 HD12 LEU A 84 -5.218 5.668 1.137 1.00 12.15 H new ATOM 0 HD13 LEU A 84 -6.005 6.513 -0.217 1.00 12.15 H new ATOM 0 HD21 LEU A 84 -4.929 9.338 0.597 1.00 33.23 H new ATOM 0 HD22 LEU A 84 -6.631 9.090 0.139 1.00 33.23 H new ATOM 0 HD23 LEU A 84 -6.229 9.812 1.715 1.00 33.23 H new ATOM 1325 N SER A 85 -10.167 8.347 4.205 1.00 50.24 N ATOM 1326 CA SER A 85 -11.307 7.957 5.059 1.00 73.43 C ATOM 1327 C SER A 85 -12.429 7.304 4.223 1.00 24.14 C ATOM 1328 O SER A 85 -12.842 7.852 3.195 1.00 24.11 O ATOM 1329 CB SER A 85 -11.831 9.213 5.786 1.00 21.43 C ATOM 1330 OG SER A 85 -10.785 9.865 6.492 1.00 3.34 O ATOM 0 H SER A 85 -10.274 9.273 3.791 1.00 50.24 H new ATOM 0 HA SER A 85 -10.975 7.219 5.789 1.00 73.43 H new ATOM 0 HB2 SER A 85 -12.270 9.900 5.062 1.00 21.43 H new ATOM 0 HB3 SER A 85 -12.623 8.932 6.480 1.00 21.43 H new ATOM 0 HG SER A 85 -11.140 10.659 6.943 1.00 3.34 H new ATOM 1336 N PHE A 86 -12.923 6.144 4.693 1.00 42.11 N ATOM 1337 CA PHE A 86 -13.918 5.310 3.976 1.00 41.11 C ATOM 1338 C PHE A 86 -14.622 4.357 4.965 1.00 52.24 C ATOM 1339 O PHE A 86 -14.482 4.494 6.185 1.00 73.41 O ATOM 1340 CB PHE A 86 -13.235 4.512 2.816 1.00 32.45 C ATOM 1341 CG PHE A 86 -12.108 3.569 3.263 1.00 32.04 C ATOM 1342 CD1 PHE A 86 -10.812 4.048 3.465 1.00 74.32 C ATOM 1343 CD2 PHE A 86 -12.347 2.213 3.494 1.00 52.31 C ATOM 1344 CE1 PHE A 86 -9.800 3.210 3.882 1.00 74.54 C ATOM 1345 CE2 PHE A 86 -11.333 1.376 3.909 1.00 11.35 C ATOM 1346 CZ PHE A 86 -10.058 1.876 4.107 1.00 14.34 C ATOM 0 H PHE A 86 -12.642 5.751 5.591 1.00 42.11 H new ATOM 0 HA PHE A 86 -14.670 5.963 3.534 1.00 41.11 H new ATOM 0 HB2 PHE A 86 -13.996 3.927 2.298 1.00 32.45 H new ATOM 0 HB3 PHE A 86 -12.832 5.221 2.093 1.00 32.45 H new ATOM 0 HD1 PHE A 86 -10.599 5.092 3.292 1.00 74.32 H new ATOM 0 HD2 PHE A 86 -13.340 1.814 3.346 1.00 52.31 H new ATOM 0 HE1 PHE A 86 -8.804 3.600 4.032 1.00 74.54 H new ATOM 0 HE2 PHE A 86 -11.534 0.329 4.080 1.00 11.35 H new ATOM 0 HZ PHE A 86 -9.266 1.221 4.438 1.00 14.34 H new ATOM 1356 N ASP A 87 -15.418 3.421 4.428 1.00 15.45 N ATOM 1357 CA ASP A 87 -15.988 2.306 5.213 1.00 72.44 C ATOM 1358 C ASP A 87 -15.726 0.980 4.471 1.00 74.45 C ATOM 1359 O ASP A 87 -15.583 0.958 3.241 1.00 43.43 O ATOM 1360 CB ASP A 87 -17.508 2.514 5.486 1.00 72.32 C ATOM 1361 CG ASP A 87 -18.388 2.352 4.235 1.00 72.10 C ATOM 1362 OD1 ASP A 87 -18.471 3.299 3.425 1.00 11.35 O ATOM 1363 OD2 ASP A 87 -18.986 1.268 4.048 1.00 71.15 O ATOM 0 H ASP A 87 -15.686 3.411 3.444 1.00 15.45 H new ATOM 0 HA ASP A 87 -15.500 2.274 6.187 1.00 72.44 H new ATOM 0 HB2 ASP A 87 -17.833 1.801 6.243 1.00 72.32 H new ATOM 0 HB3 ASP A 87 -17.661 3.510 5.900 1.00 72.32 H new ATOM 1368 N LEU A 88 -15.650 -0.115 5.230 1.00 62.12 N ATOM 1369 CA LEU A 88 -15.415 -1.460 4.696 1.00 31.23 C ATOM 1370 C LEU A 88 -16.034 -2.482 5.668 1.00 21.31 C ATOM 1371 O LEU A 88 -15.874 -2.332 6.891 1.00 33.04 O ATOM 1372 CB LEU A 88 -13.889 -1.722 4.504 1.00 31.45 C ATOM 1373 CG LEU A 88 -13.504 -3.073 3.801 1.00 60.43 C ATOM 1374 CD1 LEU A 88 -14.082 -3.151 2.366 1.00 22.52 C ATOM 1375 CD2 LEU A 88 -11.972 -3.292 3.805 1.00 3.03 C ATOM 0 H LEU A 88 -15.751 -0.094 6.245 1.00 62.12 H new ATOM 0 HA LEU A 88 -15.882 -1.557 3.716 1.00 31.23 H new ATOM 0 HB2 LEU A 88 -13.470 -0.901 3.922 1.00 31.45 H new ATOM 0 HB3 LEU A 88 -13.410 -1.696 5.483 1.00 31.45 H new ATOM 0 HG LEU A 88 -13.954 -3.881 4.377 1.00 60.43 H new ATOM 0 HD11 LEU A 88 -13.796 -4.099 1.910 1.00 22.52 H new ATOM 0 HD12 LEU A 88 -15.169 -3.081 2.407 1.00 22.52 H new ATOM 0 HD13 LEU A 88 -13.688 -2.328 1.770 1.00 22.52 H new ATOM 0 HD21 LEU A 88 -11.738 -4.235 3.311 1.00 3.03 H new ATOM 0 HD22 LEU A 88 -11.486 -2.474 3.273 1.00 3.03 H new ATOM 0 HD23 LEU A 88 -11.611 -3.321 4.833 1.00 3.03 H new ATOM 1387 N ASP A 89 -16.760 -3.473 5.099 1.00 70.44 N ATOM 1388 CA ASP A 89 -17.399 -4.596 5.830 1.00 25.02 C ATOM 1389 C ASP A 89 -18.613 -4.114 6.655 1.00 51.22 C ATOM 1390 O ASP A 89 -19.766 -4.342 6.273 1.00 61.01 O ATOM 1391 CB ASP A 89 -16.376 -5.361 6.721 1.00 14.15 C ATOM 1392 CG ASP A 89 -16.996 -6.553 7.475 1.00 42.53 C ATOM 1393 OD1 ASP A 89 -17.240 -7.599 6.847 1.00 64.43 O ATOM 1394 OD2 ASP A 89 -17.252 -6.446 8.689 1.00 65.22 O ATOM 0 H ASP A 89 -16.922 -3.516 4.093 1.00 70.44 H new ATOM 0 HA ASP A 89 -17.766 -5.299 5.082 1.00 25.02 H new ATOM 0 HB2 ASP A 89 -15.558 -5.721 6.096 1.00 14.15 H new ATOM 0 HB3 ASP A 89 -15.944 -4.668 7.443 1.00 14.15 H new ATOM 1399 N GLY A 90 -18.335 -3.434 7.775 1.00 11.44 N ATOM 1400 CA GLY A 90 -19.371 -2.898 8.654 1.00 42.44 C ATOM 1401 C GLY A 90 -18.802 -1.903 9.652 1.00 53.12 C ATOM 1402 O GLY A 90 -19.387 -1.672 10.717 1.00 41.35 O ATOM 0 H GLY A 90 -17.385 -3.242 8.093 1.00 11.44 H new ATOM 0 HA2 GLY A 90 -20.141 -2.412 8.055 1.00 42.44 H new ATOM 0 HA3 GLY A 90 -19.853 -3.716 9.190 1.00 42.44 H new ATOM 1406 N GLU A 91 -17.646 -1.319 9.296 1.00 3.12 N ATOM 1407 CA GLU A 91 -16.886 -0.408 10.165 1.00 12.24 C ATOM 1408 C GLU A 91 -16.218 0.713 9.344 1.00 52.41 C ATOM 1409 O GLU A 91 -15.778 0.493 8.207 1.00 43.31 O ATOM 1410 CB GLU A 91 -15.842 -1.236 10.962 1.00 74.23 C ATOM 1411 CG GLU A 91 -14.945 -2.139 10.089 1.00 72.44 C ATOM 1412 CD GLU A 91 -14.083 -3.102 10.920 1.00 54.24 C ATOM 1413 OE1 GLU A 91 -14.543 -4.227 11.203 1.00 5.15 O ATOM 1414 OE2 GLU A 91 -12.969 -2.725 11.329 1.00 21.01 O ATOM 0 H GLU A 91 -17.209 -1.468 8.387 1.00 3.12 H new ATOM 0 HA GLU A 91 -17.563 0.081 10.866 1.00 12.24 H new ATOM 0 HB2 GLU A 91 -15.208 -0.552 11.527 1.00 74.23 H new ATOM 0 HB3 GLU A 91 -16.366 -1.858 11.688 1.00 74.23 H new ATOM 0 HG2 GLU A 91 -15.571 -2.715 9.407 1.00 72.44 H new ATOM 0 HG3 GLU A 91 -14.296 -1.514 9.475 1.00 72.44 H new ATOM 1421 N SER A 92 -16.162 1.911 9.945 1.00 50.25 N ATOM 1422 CA SER A 92 -15.567 3.107 9.338 1.00 74.13 C ATOM 1423 C SER A 92 -14.035 2.996 9.419 1.00 54.42 C ATOM 1424 O SER A 92 -13.460 3.123 10.503 1.00 11.03 O ATOM 1425 CB SER A 92 -16.071 4.377 10.073 1.00 2.33 C ATOM 1426 OG SER A 92 -15.509 5.555 9.522 1.00 45.44 O ATOM 0 H SER A 92 -16.535 2.077 10.880 1.00 50.25 H new ATOM 0 HA SER A 92 -15.863 3.183 8.292 1.00 74.13 H new ATOM 0 HB2 SER A 92 -17.158 4.428 10.010 1.00 2.33 H new ATOM 0 HB3 SER A 92 -15.816 4.312 11.131 1.00 2.33 H new ATOM 0 HG SER A 92 -15.848 6.337 10.006 1.00 45.44 H new ATOM 1432 N ARG A 93 -13.396 2.690 8.278 1.00 20.14 N ATOM 1433 CA ARG A 93 -11.939 2.459 8.200 1.00 63.21 C ATOM 1434 C ARG A 93 -11.229 3.647 7.542 1.00 31.20 C ATOM 1435 O ARG A 93 -11.767 4.266 6.624 1.00 40.41 O ATOM 1436 CB ARG A 93 -11.643 1.164 7.398 1.00 72.34 C ATOM 1437 CG ARG A 93 -12.218 -0.148 7.986 1.00 5.21 C ATOM 1438 CD ARG A 93 -11.681 -0.471 9.400 1.00 35.33 C ATOM 1439 NE ARG A 93 -12.414 0.244 10.458 1.00 22.24 N ATOM 1440 CZ ARG A 93 -11.996 0.409 11.723 1.00 4.13 C ATOM 1441 NH1 ARG A 93 -10.830 -0.082 12.133 1.00 20.12 N ATOM 1442 NH2 ARG A 93 -12.744 1.096 12.565 1.00 53.22 N ATOM 0 H ARG A 93 -13.873 2.595 7.381 1.00 20.14 H new ATOM 0 HA ARG A 93 -11.561 2.349 9.216 1.00 63.21 H new ATOM 0 HB2 ARG A 93 -12.035 1.288 6.389 1.00 72.34 H new ATOM 0 HB3 ARG A 93 -10.562 1.055 7.309 1.00 72.34 H new ATOM 0 HG2 ARG A 93 -13.305 -0.075 8.026 1.00 5.21 H new ATOM 0 HG3 ARG A 93 -11.978 -0.974 7.316 1.00 5.21 H new ATOM 0 HD2 ARG A 93 -11.751 -1.544 9.575 1.00 35.33 H new ATOM 0 HD3 ARG A 93 -10.625 -0.208 9.453 1.00 35.33 H new ATOM 0 HE ARG A 93 -13.316 0.649 10.208 1.00 22.24 H new ATOM 0 HH11 ARG A 93 -10.235 -0.595 11.482 1.00 20.12 H new ATOM 0 HH12 ARG A 93 -10.530 0.054 13.098 1.00 20.12 H new ATOM 0 HH21 ARG A 93 -13.629 1.495 12.252 1.00 53.22 H new ATOM 0 HH22 ARG A 93 -12.437 1.228 13.529 1.00 53.22 H new ATOM 1456 N ASP A 94 -10.014 3.951 8.015 1.00 24.30 N ATOM 1457 CA ASP A 94 -9.151 4.988 7.416 1.00 44.33 C ATOM 1458 C ASP A 94 -7.699 4.483 7.321 1.00 34.22 C ATOM 1459 O ASP A 94 -7.233 3.738 8.185 1.00 45.01 O ATOM 1460 CB ASP A 94 -9.230 6.318 8.221 1.00 53.44 C ATOM 1461 CG ASP A 94 -8.592 6.247 9.626 1.00 62.33 C ATOM 1462 OD1 ASP A 94 -9.229 5.704 10.553 1.00 35.42 O ATOM 1463 OD2 ASP A 94 -7.454 6.740 9.809 1.00 14.14 O ATOM 0 H ASP A 94 -9.598 3.488 8.823 1.00 24.30 H new ATOM 0 HA ASP A 94 -9.511 5.194 6.408 1.00 44.33 H new ATOM 0 HB2 ASP A 94 -8.737 7.105 7.650 1.00 53.44 H new ATOM 0 HB3 ASP A 94 -10.276 6.606 8.324 1.00 53.44 H new ATOM 1468 N LEU A 95 -7.007 4.868 6.236 1.00 31.12 N ATOM 1469 CA LEU A 95 -5.594 4.504 5.990 1.00 63.41 C ATOM 1470 C LEU A 95 -4.746 5.775 5.954 1.00 55.24 C ATOM 1471 O LEU A 95 -5.136 6.763 5.337 1.00 34.33 O ATOM 1472 CB LEU A 95 -5.431 3.715 4.660 1.00 55.42 C ATOM 1473 CG LEU A 95 -6.190 2.353 4.558 1.00 51.54 C ATOM 1474 CD1 LEU A 95 -5.782 1.588 3.286 1.00 43.33 C ATOM 1475 CD2 LEU A 95 -5.987 1.486 5.821 1.00 32.22 C ATOM 0 H LEU A 95 -7.411 5.444 5.498 1.00 31.12 H new ATOM 0 HA LEU A 95 -5.259 3.856 6.800 1.00 63.41 H new ATOM 0 HB2 LEU A 95 -5.765 4.353 3.842 1.00 55.42 H new ATOM 0 HB3 LEU A 95 -4.369 3.526 4.504 1.00 55.42 H new ATOM 0 HG LEU A 95 -7.254 2.578 4.490 1.00 51.54 H new ATOM 0 HD11 LEU A 95 -6.325 0.644 3.239 1.00 43.33 H new ATOM 0 HD12 LEU A 95 -6.022 2.188 2.408 1.00 43.33 H new ATOM 0 HD13 LEU A 95 -4.710 1.390 3.309 1.00 43.33 H new ATOM 0 HD21 LEU A 95 -6.531 0.548 5.710 1.00 32.22 H new ATOM 0 HD22 LEU A 95 -4.925 1.277 5.952 1.00 32.22 H new ATOM 0 HD23 LEU A 95 -6.361 2.021 6.694 1.00 32.22 H new ATOM 1487 N HIS A 96 -3.582 5.744 6.609 1.00 24.25 N ATOM 1488 CA HIS A 96 -2.692 6.910 6.711 1.00 60.13 C ATOM 1489 C HIS A 96 -1.667 6.869 5.569 1.00 3.54 C ATOM 1490 O HIS A 96 -0.965 5.874 5.392 1.00 21.35 O ATOM 1491 CB HIS A 96 -2.012 6.949 8.101 1.00 71.44 C ATOM 1492 CG HIS A 96 -2.968 7.244 9.227 1.00 2.23 C ATOM 1493 ND1 HIS A 96 -2.827 8.360 10.016 1.00 53.13 N ATOM 1494 CD2 HIS A 96 -4.080 6.578 9.613 1.00 4.31 C ATOM 1495 CE1 HIS A 96 -3.849 8.351 10.840 1.00 21.35 C ATOM 1496 NE2 HIS A 96 -4.639 7.295 10.634 1.00 43.42 N ATOM 0 H HIS A 96 -3.228 4.913 7.083 1.00 24.25 H new ATOM 0 HA HIS A 96 -3.272 7.828 6.613 1.00 60.13 H new ATOM 0 HB2 HIS A 96 -1.528 5.990 8.287 1.00 71.44 H new ATOM 0 HB3 HIS A 96 -1.228 7.706 8.092 1.00 71.44 H new ATOM 0 HD2 HIS A 96 -4.455 5.656 9.194 1.00 4.31 H new ATOM 0 HE1 HIS A 96 -4.028 9.105 11.592 1.00 21.35 H new ATOM 0 HE2 HIS A 96 -5.495 7.067 11.141 1.00 43.42 H new ATOM 1504 N ALA A 97 -1.640 7.948 4.775 1.00 13.24 N ATOM 1505 CA ALA A 97 -0.796 8.094 3.579 1.00 21.21 C ATOM 1506 C ALA A 97 0.382 9.012 3.898 1.00 35.34 C ATOM 1507 O ALA A 97 0.187 10.162 4.323 1.00 61.42 O ATOM 1508 CB ALA A 97 -1.625 8.662 2.406 1.00 13.23 C ATOM 0 H ALA A 97 -2.221 8.768 4.951 1.00 13.24 H new ATOM 0 HA ALA A 97 -0.415 7.116 3.284 1.00 21.21 H new ATOM 0 HB1 ALA A 97 -0.989 8.765 1.527 1.00 13.23 H new ATOM 0 HB2 ALA A 97 -2.448 7.984 2.180 1.00 13.23 H new ATOM 0 HB3 ALA A 97 -2.024 9.638 2.682 1.00 13.23 H new ATOM 1514 N PHE A 98 1.606 8.494 3.710 1.00 43.03 N ATOM 1515 CA PHE A 98 2.844 9.235 3.986 1.00 12.22 C ATOM 1516 C PHE A 98 3.802 9.117 2.780 1.00 15.04 C ATOM 1517 O PHE A 98 3.516 8.425 1.792 1.00 73.25 O ATOM 1518 CB PHE A 98 3.566 8.728 5.297 1.00 2.11 C ATOM 1519 CG PHE A 98 2.773 7.849 6.270 1.00 65.13 C ATOM 1520 CD1 PHE A 98 2.434 6.539 5.934 1.00 13.33 C ATOM 1521 CD2 PHE A 98 2.416 8.310 7.535 1.00 21.44 C ATOM 1522 CE1 PHE A 98 1.762 5.729 6.826 1.00 75.03 C ATOM 1523 CE2 PHE A 98 1.751 7.494 8.426 1.00 74.22 C ATOM 1524 CZ PHE A 98 1.423 6.206 8.070 1.00 62.25 C ATOM 0 H PHE A 98 1.764 7.548 3.362 1.00 43.03 H new ATOM 0 HA PHE A 98 2.573 10.278 4.147 1.00 12.22 H new ATOM 0 HB2 PHE A 98 4.453 8.172 4.994 1.00 2.11 H new ATOM 0 HB3 PHE A 98 3.911 9.604 5.846 1.00 2.11 H new ATOM 0 HD1 PHE A 98 2.701 6.153 4.961 1.00 13.33 H new ATOM 0 HD2 PHE A 98 2.664 9.321 7.822 1.00 21.44 H new ATOM 0 HE1 PHE A 98 1.502 4.719 6.547 1.00 75.03 H new ATOM 0 HE2 PHE A 98 1.487 7.867 9.405 1.00 74.22 H new ATOM 0 HZ PHE A 98 0.899 5.570 8.768 1.00 62.25 H new ATOM 1534 N ARG A 99 4.944 9.806 2.909 1.00 2.45 N ATOM 1535 CA ARG A 99 6.070 9.774 1.955 1.00 32.50 C ATOM 1536 C ARG A 99 7.311 10.317 2.675 1.00 63.15 C ATOM 1537 O ARG A 99 7.153 11.065 3.636 1.00 75.21 O ATOM 1538 CB ARG A 99 5.747 10.604 0.691 1.00 20.35 C ATOM 1539 CG ARG A 99 5.524 12.138 0.928 1.00 41.22 C ATOM 1540 CD ARG A 99 4.258 12.672 0.241 1.00 54.15 C ATOM 1541 NE ARG A 99 4.183 12.296 -1.184 1.00 31.41 N ATOM 1542 CZ ARG A 99 3.277 12.753 -2.052 1.00 33.03 C ATOM 1543 NH1 ARG A 99 2.345 13.627 -1.678 1.00 33.13 N ATOM 1544 NH2 ARG A 99 3.295 12.310 -3.294 1.00 31.34 N ATOM 0 H ARG A 99 5.119 10.421 3.704 1.00 2.45 H new ATOM 0 HA ARG A 99 6.252 8.752 1.621 1.00 32.50 H new ATOM 0 HB2 ARG A 99 6.562 10.479 -0.022 1.00 20.35 H new ATOM 0 HB3 ARG A 99 4.851 10.192 0.227 1.00 20.35 H new ATOM 0 HG2 ARG A 99 5.458 12.329 1.999 1.00 41.22 H new ATOM 0 HG3 ARG A 99 6.390 12.687 0.559 1.00 41.22 H new ATOM 0 HD2 ARG A 99 3.379 12.290 0.760 1.00 54.15 H new ATOM 0 HD3 ARG A 99 4.233 13.758 0.328 1.00 54.15 H new ATOM 0 HE ARG A 99 4.877 11.635 -1.533 1.00 31.41 H new ATOM 0 HH11 ARG A 99 2.315 13.959 -0.714 1.00 33.13 H new ATOM 0 HH12 ARG A 99 1.661 13.965 -2.355 1.00 33.13 H new ATOM 0 HH21 ARG A 99 3.995 11.626 -3.582 1.00 31.34 H new ATOM 0 HH22 ARG A 99 2.609 12.651 -3.967 1.00 31.34 H new ATOM 1558 N GLN A 100 8.521 9.956 2.195 1.00 2.41 N ATOM 1559 CA GLN A 100 9.794 10.170 2.941 1.00 3.21 C ATOM 1560 C GLN A 100 9.955 11.633 3.442 1.00 70.45 C ATOM 1561 O GLN A 100 9.789 11.906 4.639 1.00 51.11 O ATOM 1562 CB GLN A 100 11.011 9.756 2.070 1.00 65.11 C ATOM 1563 CG GLN A 100 10.927 8.333 1.489 1.00 33.33 C ATOM 1564 CD GLN A 100 12.157 7.921 0.670 1.00 62.30 C ATOM 1565 OE1 GLN A 100 12.036 7.192 -0.313 1.00 21.35 O ATOM 1566 NE2 GLN A 100 13.349 8.328 1.092 1.00 34.11 N ATOM 0 H GLN A 100 8.650 9.511 1.286 1.00 2.41 H new ATOM 0 HA GLN A 100 9.754 9.535 3.826 1.00 3.21 H new ATOM 0 HB2 GLN A 100 11.111 10.465 1.248 1.00 65.11 H new ATOM 0 HB3 GLN A 100 11.916 9.836 2.672 1.00 65.11 H new ATOM 0 HG2 GLN A 100 10.794 7.625 2.307 1.00 33.33 H new ATOM 0 HG3 GLN A 100 10.042 8.261 0.857 1.00 33.33 H new ATOM 0 HE21 GLN A 100 13.421 8.933 1.910 1.00 34.11 H new ATOM 0 HE22 GLN A 100 14.192 8.036 0.598 1.00 34.11 H new ATOM 1575 N ALA A 101 10.258 12.575 2.534 1.00 25.32 N ATOM 1576 CA ALA A 101 10.292 14.008 2.877 1.00 33.31 C ATOM 1577 C ALA A 101 9.249 14.796 2.075 1.00 63.45 C ATOM 1578 O ALA A 101 8.161 15.094 2.573 1.00 40.34 O ATOM 1579 CB ALA A 101 11.710 14.572 2.663 1.00 21.14 C ATOM 0 H ALA A 101 10.482 12.372 1.560 1.00 25.32 H new ATOM 0 HA ALA A 101 10.036 14.117 3.931 1.00 33.31 H new ATOM 0 HB1 ALA A 101 11.723 15.631 2.920 1.00 21.14 H new ATOM 0 HB2 ALA A 101 12.415 14.036 3.299 1.00 21.14 H new ATOM 0 HB3 ALA A 101 11.997 14.448 1.619 1.00 21.14 H new ATOM 1585 N ALA A 102 9.572 15.070 0.804 1.00 34.53 N ATOM 1586 CA ALA A 102 8.848 16.041 -0.030 1.00 55.34 C ATOM 1587 C ALA A 102 8.507 15.456 -1.408 1.00 75.42 C ATOM 1588 O ALA A 102 8.633 16.147 -2.430 1.00 4.10 O ATOM 1589 CB ALA A 102 9.697 17.318 -0.137 1.00 42.41 C ATOM 0 H ALA A 102 10.350 14.620 0.321 1.00 34.53 H new ATOM 0 HA ALA A 102 7.893 16.286 0.435 1.00 55.34 H new ATOM 0 HB1 ALA A 102 9.176 18.051 -0.753 1.00 42.41 H new ATOM 0 HB2 ALA A 102 9.860 17.731 0.858 1.00 42.41 H new ATOM 0 HB3 ALA A 102 10.658 17.079 -0.593 1.00 42.41 H new ATOM 1595 N ASP A 103 8.089 14.176 -1.443 1.00 31.04 N ATOM 1596 CA ASP A 103 7.781 13.478 -2.708 1.00 2.13 C ATOM 1597 C ASP A 103 6.633 14.191 -3.453 1.00 60.45 C ATOM 1598 O ASP A 103 5.649 14.618 -2.838 1.00 14.22 O ATOM 1599 CB ASP A 103 7.397 11.993 -2.448 1.00 51.04 C ATOM 1600 CG ASP A 103 7.028 11.216 -3.731 1.00 44.44 C ATOM 1601 OD1 ASP A 103 7.943 10.697 -4.405 1.00 43.21 O ATOM 1602 OD2 ASP A 103 5.825 11.155 -4.085 1.00 21.44 O ATOM 0 H ASP A 103 7.957 13.603 -0.609 1.00 31.04 H new ATOM 0 HA ASP A 103 8.677 13.501 -3.328 1.00 2.13 H new ATOM 0 HB2 ASP A 103 8.231 11.492 -1.957 1.00 51.04 H new ATOM 0 HB3 ASP A 103 6.554 11.960 -1.758 1.00 51.04 H new ATOM 1607 N GLU A 104 6.794 14.316 -4.771 1.00 41.13 N ATOM 1608 CA GLU A 104 5.794 14.901 -5.675 1.00 72.50 C ATOM 1609 C GLU A 104 5.558 13.977 -6.881 1.00 33.41 C ATOM 1610 O GLU A 104 4.850 14.332 -7.826 1.00 54.30 O ATOM 1611 CB GLU A 104 6.247 16.310 -6.119 1.00 65.21 C ATOM 1612 CG GLU A 104 7.633 16.363 -6.799 1.00 45.42 C ATOM 1613 CD GLU A 104 8.027 17.788 -7.221 1.00 35.54 C ATOM 1614 OE1 GLU A 104 8.618 18.522 -6.405 1.00 63.24 O ATOM 1615 OE2 GLU A 104 7.720 18.190 -8.362 1.00 24.51 O ATOM 0 H GLU A 104 7.639 14.008 -5.253 1.00 41.13 H new ATOM 0 HA GLU A 104 4.846 15.002 -5.147 1.00 72.50 H new ATOM 0 HB2 GLU A 104 5.505 16.714 -6.807 1.00 65.21 H new ATOM 0 HB3 GLU A 104 6.261 16.963 -5.246 1.00 65.21 H new ATOM 0 HG2 GLU A 104 8.385 15.969 -6.115 1.00 45.42 H new ATOM 0 HG3 GLU A 104 7.629 15.716 -7.676 1.00 45.42 H new ATOM 1622 N SER A 105 6.108 12.748 -6.790 1.00 15.13 N ATOM 1623 CA SER A 105 5.931 11.689 -7.796 1.00 32.20 C ATOM 1624 C SER A 105 4.606 10.914 -7.536 1.00 72.30 C ATOM 1625 O SER A 105 4.406 9.812 -8.070 1.00 70.32 O ATOM 1626 CB SER A 105 7.164 10.750 -7.741 1.00 44.45 C ATOM 1627 OG SER A 105 7.129 9.751 -8.741 1.00 22.20 O ATOM 0 H SER A 105 6.694 12.464 -6.005 1.00 15.13 H new ATOM 0 HA SER A 105 5.859 12.121 -8.794 1.00 32.20 H new ATOM 0 HB2 SER A 105 8.072 11.342 -7.855 1.00 44.45 H new ATOM 0 HB3 SER A 105 7.213 10.276 -6.760 1.00 44.45 H new ATOM 0 HG SER A 105 6.209 9.433 -8.854 1.00 22.20 H new ATOM 1633 N ARG A 106 3.719 11.517 -6.692 1.00 63.13 N ATOM 1634 CA ARG A 106 2.361 11.015 -6.387 1.00 71.32 C ATOM 1635 C ARG A 106 2.403 9.712 -5.568 1.00 20.33 C ATOM 1636 O ARG A 106 1.368 9.096 -5.327 1.00 14.25 O ATOM 1637 CB ARG A 106 1.509 10.852 -7.691 1.00 55.04 C ATOM 1638 CG ARG A 106 1.410 12.130 -8.563 1.00 12.33 C ATOM 1639 CD ARG A 106 0.774 13.320 -7.828 1.00 10.01 C ATOM 1640 NE ARG A 106 0.851 14.562 -8.628 1.00 70.33 N ATOM 1641 CZ ARG A 106 1.404 15.718 -8.211 1.00 54.03 C ATOM 1642 NH1 ARG A 106 1.952 15.817 -7.009 1.00 74.54 N ATOM 1643 NH2 ARG A 106 1.416 16.768 -9.004 1.00 14.31 N ATOM 0 H ARG A 106 3.940 12.382 -6.199 1.00 63.13 H new ATOM 0 HA ARG A 106 1.869 11.764 -5.766 1.00 71.32 H new ATOM 0 HB2 ARG A 106 1.939 10.051 -8.292 1.00 55.04 H new ATOM 0 HB3 ARG A 106 0.502 10.538 -7.414 1.00 55.04 H new ATOM 0 HG2 ARG A 106 2.408 12.411 -8.898 1.00 12.33 H new ATOM 0 HG3 ARG A 106 0.825 11.908 -9.455 1.00 12.33 H new ATOM 0 HD2 ARG A 106 -0.269 13.095 -7.605 1.00 10.01 H new ATOM 0 HD3 ARG A 106 1.279 13.470 -6.874 1.00 10.01 H new ATOM 0 HE ARG A 106 0.455 14.542 -9.568 1.00 70.33 H new ATOM 0 HH11 ARG A 106 1.960 15.011 -6.384 1.00 74.54 H new ATOM 0 HH12 ARG A 106 2.366 16.699 -6.709 1.00 74.54 H new ATOM 0 HH21 ARG A 106 1.006 16.708 -9.936 1.00 14.31 H new ATOM 0 HH22 ARG A 106 1.835 17.642 -8.687 1.00 14.31 H new ATOM 1657 N THR A 107 3.597 9.355 -5.077 1.00 10.35 N ATOM 1658 CA THR A 107 3.858 8.076 -4.424 1.00 42.41 C ATOM 1659 C THR A 107 3.418 8.154 -2.946 1.00 75.25 C ATOM 1660 O THR A 107 4.095 8.765 -2.106 1.00 3.34 O ATOM 1661 CB THR A 107 5.375 7.720 -4.570 1.00 61.34 C ATOM 1662 OG1 THR A 107 5.731 7.753 -5.965 1.00 74.21 O ATOM 1663 CG2 THR A 107 5.719 6.336 -3.991 1.00 42.24 C ATOM 0 H THR A 107 4.417 9.959 -5.126 1.00 10.35 H new ATOM 0 HA THR A 107 3.283 7.280 -4.898 1.00 42.41 H new ATOM 0 HB THR A 107 5.942 8.458 -4.002 1.00 61.34 H new ATOM 0 HG1 THR A 107 5.113 7.188 -6.474 1.00 74.21 H new ATOM 0 HG21 THR A 107 6.784 6.142 -4.120 1.00 42.24 H new ATOM 0 HG22 THR A 107 5.472 6.314 -2.930 1.00 42.24 H new ATOM 0 HG23 THR A 107 5.145 5.570 -4.513 1.00 42.24 H new ATOM 1671 N LEU A 108 2.223 7.609 -2.676 1.00 53.43 N ATOM 1672 CA LEU A 108 1.615 7.573 -1.337 1.00 23.22 C ATOM 1673 C LEU A 108 1.651 6.143 -0.811 1.00 74.32 C ATOM 1674 O LEU A 108 1.107 5.237 -1.446 1.00 33.04 O ATOM 1675 CB LEU A 108 0.152 8.082 -1.403 1.00 45.14 C ATOM 1676 CG LEU A 108 -0.019 9.546 -1.909 1.00 14.44 C ATOM 1677 CD1 LEU A 108 -1.502 9.934 -2.009 1.00 12.23 C ATOM 1678 CD2 LEU A 108 0.763 10.533 -1.012 1.00 51.10 C ATOM 0 H LEU A 108 1.642 7.174 -3.393 1.00 53.43 H new ATOM 0 HA LEU A 108 2.176 8.221 -0.664 1.00 23.22 H new ATOM 0 HB2 LEU A 108 -0.417 7.420 -2.056 1.00 45.14 H new ATOM 0 HB3 LEU A 108 -0.288 8.004 -0.409 1.00 45.14 H new ATOM 0 HG LEU A 108 0.400 9.604 -2.914 1.00 14.44 H new ATOM 0 HD11 LEU A 108 -1.586 10.961 -2.365 1.00 12.23 H new ATOM 0 HD12 LEU A 108 -2.007 9.266 -2.707 1.00 12.23 H new ATOM 0 HD13 LEU A 108 -1.967 9.851 -1.027 1.00 12.23 H new ATOM 0 HD21 LEU A 108 0.629 11.548 -1.385 1.00 51.10 H new ATOM 0 HD22 LEU A 108 0.390 10.469 0.010 1.00 51.10 H new ATOM 0 HD23 LEU A 108 1.823 10.278 -1.028 1.00 51.10 H new ATOM 1690 N PHE A 109 2.267 5.952 0.358 1.00 64.14 N ATOM 1691 CA PHE A 109 2.448 4.628 0.962 1.00 44.03 C ATOM 1692 C PHE A 109 1.463 4.480 2.133 1.00 42.11 C ATOM 1693 O PHE A 109 1.546 5.228 3.110 1.00 22.43 O ATOM 1694 CB PHE A 109 3.922 4.467 1.425 1.00 14.31 C ATOM 1695 CG PHE A 109 4.279 3.098 2.012 1.00 65.01 C ATOM 1696 CD1 PHE A 109 4.021 1.918 1.299 1.00 71.54 C ATOM 1697 CD2 PHE A 109 4.890 2.987 3.267 1.00 13.20 C ATOM 1698 CE1 PHE A 109 4.363 0.682 1.825 1.00 70.41 C ATOM 1699 CE2 PHE A 109 5.227 1.751 3.788 1.00 33.31 C ATOM 1700 CZ PHE A 109 4.963 0.601 3.069 1.00 4.22 C ATOM 0 H PHE A 109 2.656 6.713 0.915 1.00 64.14 H new ATOM 0 HA PHE A 109 2.241 3.841 0.237 1.00 44.03 H new ATOM 0 HB2 PHE A 109 4.576 4.661 0.575 1.00 14.31 H new ATOM 0 HB3 PHE A 109 4.136 5.231 2.172 1.00 14.31 H new ATOM 0 HD1 PHE A 109 3.550 1.973 0.329 1.00 71.54 H new ATOM 0 HD2 PHE A 109 5.101 3.880 3.837 1.00 13.20 H new ATOM 0 HE1 PHE A 109 4.161 -0.218 1.264 1.00 70.41 H new ATOM 0 HE2 PHE A 109 5.697 1.685 4.758 1.00 33.31 H new ATOM 0 HZ PHE A 109 5.226 -0.363 3.479 1.00 4.22 H new ATOM 1710 N VAL A 110 0.501 3.545 1.991 1.00 63.41 N ATOM 1711 CA VAL A 110 -0.455 3.175 3.056 1.00 72.15 C ATOM 1712 C VAL A 110 -0.223 1.692 3.485 1.00 40.43 C ATOM 1713 O VAL A 110 -0.730 0.748 2.858 1.00 73.44 O ATOM 1714 CB VAL A 110 -1.972 3.439 2.637 1.00 72.10 C ATOM 1715 CG1 VAL A 110 -2.255 4.946 2.472 1.00 64.22 C ATOM 1716 CG2 VAL A 110 -2.384 2.692 1.351 1.00 4.53 C ATOM 0 H VAL A 110 0.364 3.021 1.127 1.00 63.41 H new ATOM 0 HA VAL A 110 -0.267 3.822 3.913 1.00 72.15 H new ATOM 0 HB VAL A 110 -2.575 3.044 3.454 1.00 72.10 H new ATOM 0 HG11 VAL A 110 -3.297 5.091 2.186 1.00 64.22 H new ATOM 0 HG12 VAL A 110 -2.062 5.458 3.415 1.00 64.22 H new ATOM 0 HG13 VAL A 110 -1.606 5.355 1.698 1.00 64.22 H new ATOM 0 HG21 VAL A 110 -3.426 2.913 1.120 1.00 4.53 H new ATOM 0 HG22 VAL A 110 -1.752 3.016 0.524 1.00 4.53 H new ATOM 0 HG23 VAL A 110 -2.265 1.619 1.500 1.00 4.53 H new ATOM 1726 N PRO A 111 0.626 1.443 4.527 1.00 41.51 N ATOM 1727 CA PRO A 111 0.728 0.110 5.142 1.00 21.04 C ATOM 1728 C PRO A 111 -0.449 -0.122 6.112 1.00 13.53 C ATOM 1729 O PRO A 111 -0.715 0.710 6.987 1.00 3.35 O ATOM 1730 CB PRO A 111 2.093 0.163 5.873 1.00 24.31 C ATOM 1731 CG PRO A 111 2.277 1.616 6.238 1.00 64.21 C ATOM 1732 CD PRO A 111 1.559 2.420 5.157 1.00 71.31 C ATOM 0 HA PRO A 111 0.677 -0.714 4.430 1.00 21.04 H new ATOM 0 HB2 PRO A 111 2.092 -0.471 6.760 1.00 24.31 H new ATOM 0 HB3 PRO A 111 2.900 -0.189 5.230 1.00 24.31 H new ATOM 0 HG2 PRO A 111 1.859 1.826 7.222 1.00 64.21 H new ATOM 0 HG3 PRO A 111 3.335 1.876 6.279 1.00 64.21 H new ATOM 0 HD2 PRO A 111 1.020 3.266 5.583 1.00 71.31 H new ATOM 0 HD3 PRO A 111 2.262 2.824 4.429 1.00 71.31 H new ATOM 1740 N PHE A 112 -1.159 -1.244 5.947 1.00 64.13 N ATOM 1741 CA PHE A 112 -2.301 -1.597 6.802 1.00 51.13 C ATOM 1742 C PHE A 112 -2.208 -3.065 7.241 1.00 11.01 C ATOM 1743 O PHE A 112 -1.302 -3.794 6.828 1.00 72.02 O ATOM 1744 CB PHE A 112 -3.655 -1.267 6.108 1.00 63.32 C ATOM 1745 CG PHE A 112 -4.019 -2.078 4.857 1.00 43.00 C ATOM 1746 CD1 PHE A 112 -3.474 -1.773 3.606 1.00 42.25 C ATOM 1747 CD2 PHE A 112 -4.950 -3.122 4.927 1.00 53.31 C ATOM 1748 CE1 PHE A 112 -3.848 -2.485 2.479 1.00 33.24 C ATOM 1749 CE2 PHE A 112 -5.315 -3.832 3.799 1.00 43.41 C ATOM 1750 CZ PHE A 112 -4.764 -3.512 2.575 1.00 33.42 C ATOM 0 H PHE A 112 -0.960 -1.931 5.220 1.00 64.13 H new ATOM 0 HA PHE A 112 -2.262 -0.985 7.703 1.00 51.13 H new ATOM 0 HB2 PHE A 112 -4.451 -1.401 6.840 1.00 63.32 H new ATOM 0 HB3 PHE A 112 -3.646 -0.212 5.836 1.00 63.32 H new ATOM 0 HD1 PHE A 112 -2.753 -0.973 3.518 1.00 42.25 H new ATOM 0 HD2 PHE A 112 -5.391 -3.377 5.880 1.00 53.31 H new ATOM 0 HE1 PHE A 112 -3.420 -2.235 1.519 1.00 33.24 H new ATOM 0 HE2 PHE A 112 -6.031 -4.637 3.875 1.00 43.41 H new ATOM 0 HZ PHE A 112 -5.050 -4.065 1.693 1.00 33.42 H new ATOM 1760 N ARG A 113 -3.127 -3.470 8.124 1.00 42.13 N ATOM 1761 CA ARG A 113 -3.202 -4.841 8.664 1.00 15.54 C ATOM 1762 C ARG A 113 -4.667 -5.207 8.890 1.00 24.33 C ATOM 1763 O ARG A 113 -5.420 -4.412 9.446 1.00 4.51 O ATOM 1764 CB ARG A 113 -2.416 -4.957 10.007 1.00 33.01 C ATOM 1765 CG ARG A 113 -0.882 -5.127 9.881 1.00 43.14 C ATOM 1766 CD ARG A 113 -0.196 -5.200 11.265 1.00 44.32 C ATOM 1767 NE ARG A 113 1.110 -5.888 11.247 1.00 34.35 N ATOM 1768 CZ ARG A 113 1.821 -6.189 12.352 1.00 5.22 C ATOM 1769 NH1 ARG A 113 1.380 -5.852 13.552 1.00 33.30 N ATOM 1770 NH2 ARG A 113 2.951 -6.856 12.249 1.00 62.14 N ATOM 0 H ARG A 113 -3.850 -2.851 8.491 1.00 42.13 H new ATOM 0 HA ARG A 113 -2.750 -5.527 7.947 1.00 15.54 H new ATOM 0 HB2 ARG A 113 -2.616 -4.065 10.600 1.00 33.01 H new ATOM 0 HB3 ARG A 113 -2.811 -5.806 10.565 1.00 33.01 H new ATOM 0 HG2 ARG A 113 -0.662 -6.034 9.318 1.00 43.14 H new ATOM 0 HG3 ARG A 113 -0.469 -4.292 9.314 1.00 43.14 H new ATOM 0 HD2 ARG A 113 -0.058 -4.188 11.645 1.00 44.32 H new ATOM 0 HD3 ARG A 113 -0.858 -5.715 11.961 1.00 44.32 H new ATOM 0 HE ARG A 113 1.499 -6.152 10.342 1.00 34.35 H new ATOM 0 HH11 ARG A 113 0.493 -5.359 13.649 1.00 33.30 H new ATOM 0 HH12 ARG A 113 1.927 -6.085 14.381 1.00 33.30 H new ATOM 0 HH21 ARG A 113 3.290 -7.146 11.332 1.00 62.14 H new ATOM 0 HH22 ARG A 113 3.488 -7.083 13.086 1.00 62.14 H new ATOM 1784 N ASP A 114 -5.058 -6.412 8.467 1.00 3.42 N ATOM 1785 CA ASP A 114 -6.437 -6.918 8.591 1.00 61.35 C ATOM 1786 C ASP A 114 -6.432 -8.206 9.454 1.00 4.24 C ATOM 1787 O ASP A 114 -5.456 -8.468 10.166 1.00 64.33 O ATOM 1788 CB ASP A 114 -7.011 -7.152 7.174 1.00 73.41 C ATOM 1789 CG ASP A 114 -6.389 -8.354 6.456 1.00 62.04 C ATOM 1790 OD1 ASP A 114 -5.187 -8.315 6.132 1.00 5.04 O ATOM 1791 OD2 ASP A 114 -7.091 -9.358 6.255 1.00 32.41 O ATOM 0 H ASP A 114 -4.422 -7.075 8.023 1.00 3.42 H new ATOM 0 HA ASP A 114 -7.080 -6.195 9.093 1.00 61.35 H new ATOM 0 HB2 ASP A 114 -8.089 -7.299 7.246 1.00 73.41 H new ATOM 0 HB3 ASP A 114 -6.851 -6.257 6.573 1.00 73.41 H new ATOM 1796 N LYS A 115 -7.517 -9.013 9.394 1.00 74.14 N ATOM 1797 CA LYS A 115 -7.652 -10.229 10.233 1.00 3.41 C ATOM 1798 C LYS A 115 -6.913 -11.456 9.655 1.00 34.32 C ATOM 1799 O LYS A 115 -6.787 -12.465 10.354 1.00 70.44 O ATOM 1800 CB LYS A 115 -9.144 -10.570 10.509 1.00 62.25 C ATOM 1801 CG LYS A 115 -9.941 -9.527 11.349 1.00 43.45 C ATOM 1802 CD LYS A 115 -9.402 -9.282 12.795 1.00 23.22 C ATOM 1803 CE LYS A 115 -8.325 -8.174 12.891 1.00 12.13 C ATOM 1804 NZ LYS A 115 -7.901 -7.917 14.292 1.00 2.33 N ATOM 0 H LYS A 115 -8.310 -8.845 8.775 1.00 74.14 H new ATOM 0 HA LYS A 115 -7.168 -9.988 11.179 1.00 3.41 H new ATOM 0 HB2 LYS A 115 -9.649 -10.698 9.552 1.00 62.25 H new ATOM 0 HB3 LYS A 115 -9.187 -11.530 11.023 1.00 62.25 H new ATOM 0 HG2 LYS A 115 -9.941 -8.578 10.813 1.00 43.45 H new ATOM 0 HG3 LYS A 115 -10.978 -9.855 11.416 1.00 43.45 H new ATOM 0 HD2 LYS A 115 -10.238 -9.018 13.442 1.00 23.22 H new ATOM 0 HD3 LYS A 115 -8.984 -10.213 13.178 1.00 23.22 H new ATOM 0 HE2 LYS A 115 -7.457 -8.463 12.298 1.00 12.13 H new ATOM 0 HE3 LYS A 115 -8.715 -7.253 12.457 1.00 12.13 H new ATOM 0 HZ1 LYS A 115 -7.473 -6.971 14.357 1.00 2.33 H new ATOM 0 HZ2 LYS A 115 -8.729 -7.967 14.920 1.00 2.33 H new ATOM 0 HZ3 LYS A 115 -7.204 -8.633 14.581 1.00 2.33 H new ATOM 1818 N THR A 116 -6.444 -11.393 8.388 1.00 53.14 N ATOM 1819 CA THR A 116 -5.553 -12.443 7.835 1.00 13.20 C ATOM 1820 C THR A 116 -4.146 -12.304 8.440 1.00 11.31 C ATOM 1821 O THR A 116 -3.439 -13.302 8.602 1.00 52.32 O ATOM 1822 CB THR A 116 -5.458 -12.451 6.262 1.00 13.23 C ATOM 1823 OG1 THR A 116 -4.801 -11.270 5.770 1.00 55.44 O ATOM 1824 CG2 THR A 116 -6.852 -12.587 5.608 1.00 34.22 C ATOM 0 H THR A 116 -6.662 -10.639 7.736 1.00 53.14 H new ATOM 0 HA THR A 116 -6.003 -13.396 8.114 1.00 13.20 H new ATOM 0 HB THR A 116 -4.862 -13.321 5.987 1.00 13.23 H new ATOM 0 HG1 THR A 116 -5.149 -11.048 4.881 1.00 55.44 H new ATOM 0 HG21 THR A 116 -6.746 -12.589 4.523 1.00 34.22 H new ATOM 0 HG22 THR A 116 -7.315 -13.520 5.929 1.00 34.22 H new ATOM 0 HG23 THR A 116 -7.479 -11.748 5.910 1.00 34.22 H new ATOM 1832 N THR A 117 -3.782 -11.059 8.821 1.00 33.15 N ATOM 1833 CA THR A 117 -2.477 -10.750 9.410 1.00 44.43 C ATOM 1834 C THR A 117 -2.371 -11.379 10.821 1.00 45.13 C ATOM 1835 O THR A 117 -3.262 -11.182 11.658 1.00 75.22 O ATOM 1836 CB THR A 117 -2.247 -9.202 9.491 1.00 22.41 C ATOM 1837 OG1 THR A 117 -2.487 -8.599 8.203 1.00 20.03 O ATOM 1838 CG2 THR A 117 -0.818 -8.848 9.960 1.00 71.12 C ATOM 0 H THR A 117 -4.391 -10.246 8.725 1.00 33.15 H new ATOM 0 HA THR A 117 -1.704 -11.174 8.769 1.00 44.43 H new ATOM 0 HB THR A 117 -2.949 -8.811 10.227 1.00 22.41 H new ATOM 0 HG1 THR A 117 -1.773 -8.857 7.583 1.00 20.03 H new ATOM 0 HG21 THR A 117 -0.706 -7.764 10.001 1.00 71.12 H new ATOM 0 HG22 THR A 117 -0.646 -9.268 10.951 1.00 71.12 H new ATOM 0 HG23 THR A 117 -0.092 -9.262 9.260 1.00 71.12 H new ATOM 1846 N GLY A 118 -1.290 -12.143 11.049 1.00 71.21 N ATOM 1847 CA GLY A 118 -1.039 -12.831 12.319 1.00 1.55 C ATOM 1848 C GLY A 118 -1.999 -13.995 12.627 1.00 23.22 C ATOM 1849 O GLY A 118 -1.885 -14.604 13.692 1.00 34.53 O ATOM 0 H GLY A 118 -0.563 -12.299 10.351 1.00 71.21 H new ATOM 0 HA2 GLY A 118 -0.018 -13.213 12.313 1.00 1.55 H new ATOM 0 HA3 GLY A 118 -1.102 -12.103 13.128 1.00 1.55 H new ATOM 1853 N GLN A 119 -2.936 -14.315 11.697 1.00 32.32 N ATOM 1854 CA GLN A 119 -3.943 -15.395 11.881 1.00 31.21 C ATOM 1855 C GLN A 119 -3.893 -16.370 10.680 1.00 44.31 C ATOM 1856 O GLN A 119 -3.409 -17.498 10.806 1.00 72.21 O ATOM 1857 CB GLN A 119 -5.374 -14.799 12.043 1.00 45.23 C ATOM 1858 CG GLN A 119 -5.623 -13.968 13.322 1.00 74.25 C ATOM 1859 CD GLN A 119 -5.478 -14.791 14.607 1.00 63.35 C ATOM 1860 OE1 GLN A 119 -6.421 -15.446 15.045 1.00 34.14 O ATOM 1861 NE2 GLN A 119 -4.321 -14.734 15.239 1.00 73.15 N ATOM 0 H GLN A 119 -3.015 -13.834 10.801 1.00 32.32 H new ATOM 0 HA GLN A 119 -3.703 -15.943 12.792 1.00 31.21 H new ATOM 0 HB2 GLN A 119 -5.583 -14.169 11.178 1.00 45.23 H new ATOM 0 HB3 GLN A 119 -6.092 -15.619 12.021 1.00 45.23 H new ATOM 0 HG2 GLN A 119 -4.921 -13.134 13.350 1.00 74.25 H new ATOM 0 HG3 GLN A 119 -6.625 -13.540 13.282 1.00 74.25 H new ATOM 0 HE21 GLN A 119 -3.555 -14.182 14.852 1.00 73.15 H new ATOM 0 HE22 GLN A 119 -4.192 -15.242 16.114 1.00 73.15 H new ATOM 1870 N GLN A 120 -4.357 -15.895 9.495 1.00 1.33 N ATOM 1871 CA GLN A 120 -4.276 -16.639 8.200 1.00 5.40 C ATOM 1872 C GLN A 120 -2.892 -16.420 7.533 1.00 24.35 C ATOM 1873 O GLN A 120 -2.696 -16.728 6.349 1.00 52.35 O ATOM 1874 CB GLN A 120 -5.415 -16.179 7.231 1.00 33.11 C ATOM 1875 CG GLN A 120 -6.863 -16.586 7.611 1.00 64.24 C ATOM 1876 CD GLN A 120 -7.352 -16.034 8.957 1.00 24.41 C ATOM 1877 OE1 GLN A 120 -7.230 -16.683 9.998 1.00 2.51 O ATOM 1878 NE2 GLN A 120 -7.901 -14.831 8.948 1.00 2.33 N ATOM 0 H GLN A 120 -4.801 -14.981 9.405 1.00 1.33 H new ATOM 0 HA GLN A 120 -4.401 -17.701 8.409 1.00 5.40 H new ATOM 0 HB2 GLN A 120 -5.377 -15.092 7.153 1.00 33.11 H new ATOM 0 HB3 GLN A 120 -5.199 -16.577 6.240 1.00 33.11 H new ATOM 0 HG2 GLN A 120 -7.539 -16.245 6.827 1.00 64.24 H new ATOM 0 HG3 GLN A 120 -6.926 -17.674 7.636 1.00 64.24 H new ATOM 0 HE21 GLN A 120 -7.989 -14.317 8.071 1.00 2.33 H new ATOM 0 HE22 GLN A 120 -8.237 -14.417 9.818 1.00 2.33 H new ATOM 1887 N SER A 121 -1.945 -15.934 8.339 1.00 45.41 N ATOM 1888 CA SER A 121 -0.590 -15.559 7.947 1.00 2.31 C ATOM 1889 C SER A 121 0.234 -15.557 9.237 1.00 60.43 C ATOM 1890 O SER A 121 -0.298 -15.162 10.278 1.00 45.42 O ATOM 1891 CB SER A 121 -0.559 -14.164 7.279 1.00 5.32 C ATOM 1892 OG SER A 121 -1.378 -14.111 6.132 1.00 25.01 O ATOM 0 H SER A 121 -2.114 -15.785 9.334 1.00 45.41 H new ATOM 0 HA SER A 121 -0.190 -16.258 7.212 1.00 2.31 H new ATOM 0 HB2 SER A 121 -0.888 -13.411 7.995 1.00 5.32 H new ATOM 0 HB3 SER A 121 0.466 -13.916 7.005 1.00 5.32 H new ATOM 0 HG SER A 121 -1.333 -13.214 5.739 1.00 25.01 H new ATOM 1898 N TYR A 122 1.498 -16.043 9.199 1.00 11.41 N ATOM 1899 CA TYR A 122 2.421 -15.944 10.365 1.00 73.21 C ATOM 1900 C TYR A 122 2.511 -14.465 10.815 1.00 63.13 C ATOM 1901 O TYR A 122 2.294 -14.121 11.983 1.00 53.14 O ATOM 1902 CB TYR A 122 3.830 -16.502 10.003 1.00 12.50 C ATOM 1903 CG TYR A 122 4.871 -16.311 11.125 1.00 25.12 C ATOM 1904 CD1 TYR A 122 4.848 -17.114 12.275 1.00 15.54 C ATOM 1905 CD2 TYR A 122 5.852 -15.309 11.052 1.00 61.40 C ATOM 1906 CE1 TYR A 122 5.757 -16.923 13.296 1.00 62.14 C ATOM 1907 CE2 TYR A 122 6.753 -15.117 12.078 1.00 42.35 C ATOM 1908 CZ TYR A 122 6.702 -15.929 13.192 1.00 42.34 C ATOM 1909 OH TYR A 122 7.589 -15.729 14.219 1.00 41.03 O ATOM 0 H TYR A 122 1.903 -16.504 8.384 1.00 11.41 H new ATOM 0 HA TYR A 122 2.032 -16.546 11.186 1.00 73.21 H new ATOM 0 HB2 TYR A 122 3.744 -17.564 9.774 1.00 12.50 H new ATOM 0 HB3 TYR A 122 4.187 -16.009 9.099 1.00 12.50 H new ATOM 0 HD1 TYR A 122 4.107 -17.895 12.363 1.00 15.54 H new ATOM 0 HD2 TYR A 122 5.902 -14.678 10.177 1.00 61.40 H new ATOM 0 HE1 TYR A 122 5.726 -17.552 14.173 1.00 62.14 H new ATOM 0 HE2 TYR A 122 7.495 -14.335 12.010 1.00 42.35 H new ATOM 0 HH TYR A 122 8.192 -14.991 13.991 1.00 41.03 H new ATOM 1919 N ASP A 123 2.818 -13.623 9.833 1.00 34.13 N ATOM 1920 CA ASP A 123 2.671 -12.172 9.927 1.00 72.25 C ATOM 1921 C ASP A 123 1.795 -11.719 8.763 1.00 22.12 C ATOM 1922 O ASP A 123 0.596 -11.557 8.943 1.00 52.43 O ATOM 1923 CB ASP A 123 4.037 -11.448 9.959 1.00 23.55 C ATOM 1924 CG ASP A 123 3.893 -9.911 9.948 1.00 22.10 C ATOM 1925 OD1 ASP A 123 3.560 -9.331 10.997 1.00 41.45 O ATOM 1926 OD2 ASP A 123 4.069 -9.285 8.885 1.00 32.43 O ATOM 0 H ASP A 123 3.183 -13.934 8.933 1.00 34.13 H new ATOM 0 HA ASP A 123 2.192 -11.906 10.869 1.00 72.25 H new ATOM 0 HB2 ASP A 123 4.585 -11.752 10.851 1.00 23.55 H new ATOM 0 HB3 ASP A 123 4.630 -11.760 9.099 1.00 23.55 H new ATOM 1931 N GLY A 124 2.388 -11.588 7.563 1.00 65.22 N ATOM 1932 CA GLY A 124 1.652 -11.157 6.382 1.00 55.40 C ATOM 1933 C GLY A 124 1.033 -9.776 6.566 1.00 23.50 C ATOM 1934 O GLY A 124 -0.193 -9.639 6.625 1.00 43.52 O ATOM 0 H GLY A 124 3.376 -11.777 7.395 1.00 65.22 H new ATOM 0 HA2 GLY A 124 2.322 -11.142 5.523 1.00 55.40 H new ATOM 0 HA3 GLY A 124 0.867 -11.880 6.161 1.00 55.40 H new ATOM 1938 N GLY A 125 1.903 -8.770 6.722 1.00 72.14 N ATOM 1939 CA GLY A 125 1.465 -7.375 6.744 1.00 41.21 C ATOM 1940 C GLY A 125 1.001 -6.939 5.363 1.00 3.11 C ATOM 1941 O GLY A 125 1.454 -7.496 4.356 1.00 4.32 O ATOM 0 H GLY A 125 2.909 -8.898 6.834 1.00 72.14 H new ATOM 0 HA2 GLY A 125 0.653 -7.254 7.461 1.00 41.21 H new ATOM 0 HA3 GLY A 125 2.283 -6.736 7.077 1.00 41.21 H new ATOM 1945 N ARG A 126 0.076 -5.975 5.280 1.00 14.31 N ATOM 1946 CA ARG A 126 -0.449 -5.525 3.982 1.00 30.34 C ATOM 1947 C ARG A 126 0.239 -4.204 3.630 1.00 15.52 C ATOM 1948 O ARG A 126 0.286 -3.285 4.450 1.00 4.13 O ATOM 1949 CB ARG A 126 -1.980 -5.337 4.064 1.00 51.00 C ATOM 1950 CG ARG A 126 -2.775 -6.513 4.689 1.00 4.51 C ATOM 1951 CD ARG A 126 -2.888 -7.763 3.789 1.00 21.33 C ATOM 1952 NE ARG A 126 -1.605 -8.485 3.615 1.00 72.12 N ATOM 1953 CZ ARG A 126 -1.411 -9.798 3.823 1.00 52.01 C ATOM 1954 NH1 ARG A 126 -2.400 -10.595 4.234 1.00 61.22 N ATOM 1955 NH2 ARG A 126 -0.212 -10.308 3.618 1.00 50.11 N ATOM 0 H ARG A 126 -0.322 -5.495 6.087 1.00 14.31 H new ATOM 0 HA ARG A 126 -0.247 -6.268 3.210 1.00 30.34 H new ATOM 0 HB2 ARG A 126 -2.185 -4.437 4.643 1.00 51.00 H new ATOM 0 HB3 ARG A 126 -2.359 -5.162 3.057 1.00 51.00 H new ATOM 0 HG2 ARG A 126 -2.299 -6.799 5.627 1.00 4.51 H new ATOM 0 HG3 ARG A 126 -3.779 -6.166 4.934 1.00 4.51 H new ATOM 0 HD2 ARG A 126 -3.624 -8.444 4.217 1.00 21.33 H new ATOM 0 HD3 ARG A 126 -3.263 -7.463 2.810 1.00 21.33 H new ATOM 0 HE ARG A 126 -0.800 -7.938 3.311 1.00 72.12 H new ATOM 0 HH11 ARG A 126 -3.330 -10.210 4.398 1.00 61.22 H new ATOM 0 HH12 ARG A 126 -2.225 -11.589 4.384 1.00 61.22 H new ATOM 0 HH21 ARG A 126 0.551 -9.707 3.306 1.00 50.11 H new ATOM 0 HH22 ARG A 126 -0.048 -11.303 3.771 1.00 50.11 H new ATOM 1969 N TYR A 127 0.806 -4.131 2.422 1.00 43.34 N ATOM 1970 CA TYR A 127 1.505 -2.938 1.922 1.00 52.00 C ATOM 1971 C TYR A 127 0.757 -2.475 0.687 1.00 23.41 C ATOM 1972 O TYR A 127 0.538 -3.270 -0.209 1.00 33.14 O ATOM 1973 CB TYR A 127 2.988 -3.281 1.556 1.00 4.21 C ATOM 1974 CG TYR A 127 3.873 -3.750 2.733 1.00 45.23 C ATOM 1975 CD1 TYR A 127 3.474 -4.793 3.569 1.00 74.21 C ATOM 1976 CD2 TYR A 127 5.106 -3.156 3.001 1.00 1.52 C ATOM 1977 CE1 TYR A 127 4.239 -5.214 4.619 1.00 75.13 C ATOM 1978 CE2 TYR A 127 5.887 -3.588 4.056 1.00 54.31 C ATOM 1979 CZ TYR A 127 5.442 -4.622 4.861 1.00 12.24 C ATOM 1980 OH TYR A 127 6.200 -5.071 5.913 1.00 12.51 O ATOM 0 H TYR A 127 0.794 -4.904 1.756 1.00 43.34 H new ATOM 0 HA TYR A 127 1.528 -2.158 2.683 1.00 52.00 H new ATOM 0 HB2 TYR A 127 2.985 -4.060 0.794 1.00 4.21 H new ATOM 0 HB3 TYR A 127 3.447 -2.399 1.108 1.00 4.21 H new ATOM 0 HD1 TYR A 127 2.530 -5.283 3.380 1.00 74.21 H new ATOM 0 HD2 TYR A 127 5.455 -2.348 2.376 1.00 1.52 H new ATOM 0 HE1 TYR A 127 3.891 -6.014 5.256 1.00 75.13 H new ATOM 0 HE2 TYR A 127 6.841 -3.121 4.252 1.00 54.31 H new ATOM 0 HH TYR A 127 6.950 -4.458 6.061 1.00 12.51 H new ATOM 1990 N MET A 128 0.379 -1.206 0.629 1.00 12.52 N ATOM 1991 CA MET A 128 -0.422 -0.665 -0.485 1.00 74.23 C ATOM 1992 C MET A 128 0.139 0.706 -0.861 1.00 73.32 C ATOM 1993 O MET A 128 0.535 1.472 0.019 1.00 31.13 O ATOM 1994 CB MET A 128 -1.942 -0.606 -0.079 1.00 52.12 C ATOM 1995 CG MET A 128 -2.883 -1.422 -0.988 1.00 33.55 C ATOM 1996 SD MET A 128 -3.092 -0.679 -2.619 1.00 15.03 S ATOM 1997 CE MET A 128 -4.044 0.792 -2.217 1.00 23.43 C ATOM 0 H MET A 128 0.612 -0.517 1.344 1.00 12.52 H new ATOM 0 HA MET A 128 -0.359 -1.312 -1.360 1.00 74.23 H new ATOM 0 HB2 MET A 128 -2.045 -0.966 0.945 1.00 52.12 H new ATOM 0 HB3 MET A 128 -2.266 0.435 -0.085 1.00 52.12 H new ATOM 0 HG2 MET A 128 -2.487 -2.431 -1.101 1.00 33.55 H new ATOM 0 HG3 MET A 128 -3.857 -1.513 -0.507 1.00 33.55 H new ATOM 0 HE1 MET A 128 -4.518 1.177 -3.120 1.00 23.43 H new ATOM 0 HE2 MET A 128 -4.810 0.540 -1.484 1.00 23.43 H new ATOM 0 HE3 MET A 128 -3.382 1.552 -1.803 1.00 23.43 H new ATOM 2007 N GLU A 129 0.217 0.994 -2.161 1.00 75.13 N ATOM 2008 CA GLU A 129 0.775 2.253 -2.667 1.00 53.35 C ATOM 2009 C GLU A 129 -0.119 2.787 -3.793 1.00 34.24 C ATOM 2010 O GLU A 129 -0.456 2.051 -4.727 1.00 72.32 O ATOM 2011 CB GLU A 129 2.216 2.026 -3.176 1.00 10.34 C ATOM 2012 CG GLU A 129 2.962 3.312 -3.574 1.00 60.33 C ATOM 2013 CD GLU A 129 4.280 3.031 -4.303 1.00 2.05 C ATOM 2014 OE1 GLU A 129 5.252 2.591 -3.651 1.00 4.43 O ATOM 2015 OE2 GLU A 129 4.352 3.250 -5.530 1.00 0.41 O ATOM 0 H GLU A 129 -0.104 0.362 -2.894 1.00 75.13 H new ATOM 0 HA GLU A 129 0.809 2.988 -1.863 1.00 53.35 H new ATOM 0 HB2 GLU A 129 2.786 1.516 -2.400 1.00 10.34 H new ATOM 0 HB3 GLU A 129 2.183 1.359 -4.037 1.00 10.34 H new ATOM 0 HG2 GLU A 129 2.319 3.916 -4.214 1.00 60.33 H new ATOM 0 HG3 GLU A 129 3.165 3.901 -2.679 1.00 60.33 H new ATOM 2022 N LEU A 130 -0.501 4.067 -3.687 1.00 34.11 N ATOM 2023 CA LEU A 130 -1.356 4.741 -4.676 1.00 41.34 C ATOM 2024 C LEU A 130 -0.545 5.859 -5.316 1.00 3.23 C ATOM 2025 O LEU A 130 0.148 6.606 -4.616 1.00 63.54 O ATOM 2026 CB LEU A 130 -2.649 5.348 -4.038 1.00 14.02 C ATOM 2027 CG LEU A 130 -3.336 4.518 -2.904 1.00 34.55 C ATOM 2028 CD1 LEU A 130 -2.678 4.787 -1.532 1.00 22.51 C ATOM 2029 CD2 LEU A 130 -4.847 4.781 -2.852 1.00 23.20 C ATOM 0 H LEU A 130 -0.225 4.667 -2.910 1.00 34.11 H new ATOM 0 HA LEU A 130 -1.676 4.002 -5.410 1.00 41.34 H new ATOM 0 HB2 LEU A 130 -2.400 6.330 -3.636 1.00 14.02 H new ATOM 0 HB3 LEU A 130 -3.378 5.504 -4.833 1.00 14.02 H new ATOM 0 HG LEU A 130 -3.192 3.464 -3.141 1.00 34.55 H new ATOM 0 HD11 LEU A 130 -3.179 4.195 -0.766 1.00 22.51 H new ATOM 0 HD12 LEU A 130 -1.624 4.511 -1.573 1.00 22.51 H new ATOM 0 HD13 LEU A 130 -2.766 5.846 -1.288 1.00 22.51 H new ATOM 0 HD21 LEU A 130 -5.292 4.188 -2.053 1.00 23.20 H new ATOM 0 HD22 LEU A 130 -5.026 5.839 -2.662 1.00 23.20 H new ATOM 0 HD23 LEU A 130 -5.298 4.503 -3.805 1.00 23.20 H new ATOM 2041 N GLU A 131 -0.642 5.967 -6.642 1.00 21.22 N ATOM 2042 CA GLU A 131 -0.027 7.048 -7.412 1.00 64.14 C ATOM 2043 C GLU A 131 -1.102 7.670 -8.318 1.00 54.41 C ATOM 2044 O GLU A 131 -1.301 7.214 -9.457 1.00 10.11 O ATOM 2045 CB GLU A 131 1.199 6.543 -8.219 1.00 60.03 C ATOM 2046 CG GLU A 131 2.330 5.959 -7.343 1.00 51.43 C ATOM 2047 CD GLU A 131 3.556 5.533 -8.156 1.00 14.21 C ATOM 2048 OE1 GLU A 131 4.439 6.389 -8.404 1.00 52.33 O ATOM 2049 OE2 GLU A 131 3.638 4.350 -8.570 1.00 21.43 O ATOM 0 H GLU A 131 -1.155 5.299 -7.217 1.00 21.22 H new ATOM 0 HA GLU A 131 0.355 7.813 -6.736 1.00 64.14 H new ATOM 0 HB2 GLU A 131 0.868 5.780 -8.924 1.00 60.03 H new ATOM 0 HB3 GLU A 131 1.599 7.369 -8.808 1.00 60.03 H new ATOM 0 HG2 GLU A 131 2.631 6.702 -6.604 1.00 51.43 H new ATOM 0 HG3 GLU A 131 1.949 5.099 -6.793 1.00 51.43 H new ATOM 2056 N PRO A 132 -1.863 8.693 -7.794 1.00 21.00 N ATOM 2057 CA PRO A 132 -2.881 9.427 -8.587 1.00 54.45 C ATOM 2058 C PRO A 132 -2.239 10.233 -9.734 1.00 50.44 C ATOM 2059 O PRO A 132 -1.017 10.387 -9.790 1.00 33.32 O ATOM 2060 CB PRO A 132 -3.543 10.368 -7.540 1.00 70.13 C ATOM 2061 CG PRO A 132 -2.495 10.547 -6.480 1.00 51.35 C ATOM 2062 CD PRO A 132 -1.792 9.210 -6.390 1.00 73.11 C ATOM 0 HA PRO A 132 -3.593 8.761 -9.074 1.00 54.45 H new ATOM 0 HB2 PRO A 132 -3.824 11.322 -7.986 1.00 70.13 H new ATOM 0 HB3 PRO A 132 -4.452 9.928 -7.129 1.00 70.13 H new ATOM 0 HG2 PRO A 132 -1.798 11.342 -6.745 1.00 51.35 H new ATOM 0 HG3 PRO A 132 -2.943 10.822 -5.525 1.00 51.35 H new ATOM 0 HD2 PRO A 132 -0.761 9.319 -6.052 1.00 73.11 H new ATOM 0 HD3 PRO A 132 -2.289 8.540 -5.688 1.00 73.11 H new ATOM 2070 N ASP A 133 -3.084 10.743 -10.638 1.00 42.10 N ATOM 2071 CA ASP A 133 -2.649 11.624 -11.729 1.00 44.33 C ATOM 2072 C ASP A 133 -2.158 12.958 -11.142 1.00 34.25 C ATOM 2073 O ASP A 133 -0.987 13.336 -11.290 1.00 32.43 O ATOM 2074 CB ASP A 133 -3.826 11.853 -12.723 1.00 22.13 C ATOM 2075 CG ASP A 133 -3.525 12.926 -13.787 1.00 53.11 C ATOM 2076 OD1 ASP A 133 -2.717 12.658 -14.697 1.00 31.25 O ATOM 2077 OD2 ASP A 133 -4.074 14.050 -13.703 1.00 75.44 O ATOM 0 H ASP A 133 -4.087 10.557 -10.634 1.00 42.10 H new ATOM 0 HA ASP A 133 -1.828 11.159 -12.274 1.00 44.33 H new ATOM 0 HB2 ASP A 133 -4.060 10.912 -13.222 1.00 22.13 H new ATOM 0 HB3 ASP A 133 -4.714 12.146 -12.163 1.00 22.13 H new ATOM 2082 N ARG A 134 -3.067 13.640 -10.442 1.00 64.42 N ATOM 2083 CA ARG A 134 -2.791 14.934 -9.799 1.00 52.33 C ATOM 2084 C ARG A 134 -2.632 14.751 -8.283 1.00 71.45 C ATOM 2085 O ARG A 134 -2.824 13.647 -7.759 1.00 31.35 O ATOM 2086 CB ARG A 134 -3.918 15.946 -10.182 1.00 0.34 C ATOM 2087 CG ARG A 134 -5.378 15.520 -9.827 1.00 72.24 C ATOM 2088 CD ARG A 134 -5.827 15.939 -8.408 1.00 50.22 C ATOM 2089 NE ARG A 134 -7.220 15.561 -8.111 1.00 3.22 N ATOM 2090 CZ ARG A 134 -8.313 16.104 -8.678 1.00 72.01 C ATOM 2091 NH1 ARG A 134 -8.223 17.056 -9.608 1.00 40.33 N ATOM 2092 NH2 ARG A 134 -9.504 15.709 -8.285 1.00 33.14 N ATOM 0 H ARG A 134 -4.022 13.311 -10.302 1.00 64.42 H new ATOM 0 HA ARG A 134 -1.847 15.345 -10.157 1.00 52.33 H new ATOM 0 HB2 ARG A 134 -3.708 16.895 -9.688 1.00 0.34 H new ATOM 0 HB3 ARG A 134 -3.865 16.127 -11.256 1.00 0.34 H new ATOM 0 HG2 ARG A 134 -6.060 15.956 -10.557 1.00 72.24 H new ATOM 0 HG3 ARG A 134 -5.462 14.437 -9.919 1.00 72.24 H new ATOM 0 HD2 ARG A 134 -5.167 15.479 -7.673 1.00 50.22 H new ATOM 0 HD3 ARG A 134 -5.719 17.018 -8.302 1.00 50.22 H new ATOM 0 HE ARG A 134 -7.368 14.827 -7.418 1.00 3.22 H new ATOM 0 HH11 ARG A 134 -7.307 17.391 -9.908 1.00 40.33 H new ATOM 0 HH12 ARG A 134 -9.070 17.448 -10.020 1.00 40.33 H new ATOM 0 HH21 ARG A 134 -9.592 14.999 -7.558 1.00 33.14 H new ATOM 0 HH22 ARG A 134 -10.340 16.113 -8.707 1.00 33.14 H new ATOM 2106 N ASP A 135 -2.269 15.837 -7.586 1.00 52.24 N ATOM 2107 CA ASP A 135 -2.050 15.816 -6.127 1.00 13.31 C ATOM 2108 C ASP A 135 -3.398 15.849 -5.394 1.00 2.21 C ATOM 2109 O ASP A 135 -4.283 16.639 -5.744 1.00 75.23 O ATOM 2110 CB ASP A 135 -1.165 17.009 -5.678 1.00 13.15 C ATOM 2111 CG ASP A 135 -0.951 17.069 -4.150 1.00 32.31 C ATOM 2112 OD1 ASP A 135 -0.544 16.045 -3.553 1.00 63.51 O ATOM 2113 OD2 ASP A 135 -1.175 18.139 -3.540 1.00 10.30 O ATOM 0 H ASP A 135 -2.119 16.752 -8.012 1.00 52.24 H new ATOM 0 HA ASP A 135 -1.527 14.894 -5.873 1.00 13.31 H new ATOM 0 HB2 ASP A 135 -0.196 16.939 -6.171 1.00 13.15 H new ATOM 0 HB3 ASP A 135 -1.625 17.939 -6.010 1.00 13.15 H new ATOM 2118 N LEU A 136 -3.531 15.002 -4.368 1.00 63.14 N ATOM 2119 CA LEU A 136 -4.766 14.876 -3.592 1.00 21.24 C ATOM 2120 C LEU A 136 -4.884 16.028 -2.584 1.00 20.24 C ATOM 2121 O LEU A 136 -3.966 16.275 -1.799 1.00 33.45 O ATOM 2122 CB LEU A 136 -4.801 13.510 -2.866 1.00 10.14 C ATOM 2123 CG LEU A 136 -4.809 12.251 -3.789 1.00 53.32 C ATOM 2124 CD1 LEU A 136 -4.806 10.956 -2.959 1.00 62.33 C ATOM 2125 CD2 LEU A 136 -6.009 12.284 -4.762 1.00 62.21 C ATOM 0 H LEU A 136 -2.783 14.384 -4.053 1.00 63.14 H new ATOM 0 HA LEU A 136 -5.616 14.929 -4.272 1.00 21.24 H new ATOM 0 HB2 LEU A 136 -3.936 13.448 -2.206 1.00 10.14 H new ATOM 0 HB3 LEU A 136 -5.688 13.479 -2.233 1.00 10.14 H new ATOM 0 HG LEU A 136 -3.896 12.268 -4.384 1.00 53.32 H new ATOM 0 HD11 LEU A 136 -4.812 10.095 -3.628 1.00 62.33 H new ATOM 0 HD12 LEU A 136 -3.912 10.925 -2.336 1.00 62.33 H new ATOM 0 HD13 LEU A 136 -5.692 10.928 -2.325 1.00 62.33 H new ATOM 0 HD21 LEU A 136 -5.990 11.396 -5.393 1.00 62.21 H new ATOM 0 HD22 LEU A 136 -6.938 12.305 -4.193 1.00 62.21 H new ATOM 0 HD23 LEU A 136 -5.946 13.175 -5.387 1.00 62.21 H new ATOM 2137 N SER A 137 -6.026 16.719 -2.629 1.00 23.32 N ATOM 2138 CA SER A 137 -6.339 17.854 -1.748 1.00 30.21 C ATOM 2139 C SER A 137 -7.163 17.374 -0.536 1.00 42.21 C ATOM 2140 O SER A 137 -7.675 16.243 -0.525 1.00 24.42 O ATOM 2141 CB SER A 137 -7.128 18.911 -2.553 1.00 11.13 C ATOM 2142 OG SER A 137 -6.399 19.347 -3.693 1.00 64.42 O ATOM 0 H SER A 137 -6.774 16.504 -3.289 1.00 23.32 H new ATOM 0 HA SER A 137 -5.415 18.297 -1.377 1.00 30.21 H new ATOM 0 HB2 SER A 137 -8.083 18.491 -2.869 1.00 11.13 H new ATOM 0 HB3 SER A 137 -7.351 19.765 -1.914 1.00 11.13 H new ATOM 0 HG SER A 137 -6.925 20.014 -4.182 1.00 64.42 H new ATOM 2148 N ASP A 138 -7.253 18.222 0.502 1.00 64.52 N ATOM 2149 CA ASP A 138 -8.133 17.967 1.657 1.00 4.40 C ATOM 2150 C ASP A 138 -9.600 18.130 1.201 1.00 1.00 C ATOM 2151 O ASP A 138 -10.039 19.232 0.852 1.00 20.12 O ATOM 2152 CB ASP A 138 -7.772 18.890 2.861 1.00 33.33 C ATOM 2153 CG ASP A 138 -7.734 20.391 2.521 1.00 40.43 C ATOM 2154 OD1 ASP A 138 -6.774 20.828 1.854 1.00 30.25 O ATOM 2155 OD2 ASP A 138 -8.663 21.134 2.896 1.00 65.30 O ATOM 0 H ASP A 138 -6.726 19.093 0.566 1.00 64.52 H new ATOM 0 HA ASP A 138 -7.991 16.948 2.016 1.00 4.40 H new ATOM 0 HB2 ASP A 138 -8.498 18.728 3.658 1.00 33.33 H new ATOM 0 HB3 ASP A 138 -6.799 18.593 3.252 1.00 33.33 H new ATOM 2160 N GLY A 139 -10.315 16.995 1.121 1.00 0.30 N ATOM 2161 CA GLY A 139 -11.694 16.945 0.622 1.00 33.45 C ATOM 2162 C GLY A 139 -11.791 16.323 -0.773 1.00 72.10 C ATOM 2163 O GLY A 139 -12.893 16.185 -1.320 1.00 45.41 O ATOM 0 H GLY A 139 -9.949 16.085 1.402 1.00 0.30 H new ATOM 0 HA2 GLY A 139 -12.307 16.370 1.316 1.00 33.45 H new ATOM 0 HA3 GLY A 139 -12.104 17.955 0.595 1.00 33.45 H new ATOM 2167 N ASP A 140 -10.629 15.958 -1.356 1.00 13.53 N ATOM 2168 CA ASP A 140 -10.546 15.290 -2.681 1.00 22.23 C ATOM 2169 C ASP A 140 -10.955 13.807 -2.518 1.00 34.01 C ATOM 2170 O ASP A 140 -11.180 13.354 -1.397 1.00 71.32 O ATOM 2171 CB ASP A 140 -9.092 15.411 -3.235 1.00 42.14 C ATOM 2172 CG ASP A 140 -8.984 15.335 -4.770 1.00 24.33 C ATOM 2173 OD1 ASP A 140 -8.954 14.228 -5.335 1.00 33.14 O ATOM 2174 OD2 ASP A 140 -8.929 16.397 -5.417 1.00 62.34 O ATOM 0 H ASP A 140 -9.719 16.117 -0.924 1.00 13.53 H new ATOM 0 HA ASP A 140 -11.222 15.767 -3.391 1.00 22.23 H new ATOM 0 HB2 ASP A 140 -8.667 16.357 -2.900 1.00 42.14 H new ATOM 0 HB3 ASP A 140 -8.484 14.617 -2.801 1.00 42.14 H new ATOM 2179 N GLU A 141 -11.084 13.055 -3.619 1.00 32.14 N ATOM 2180 CA GLU A 141 -11.378 11.603 -3.575 1.00 0.32 C ATOM 2181 C GLU A 141 -10.252 10.802 -4.251 1.00 71.35 C ATOM 2182 O GLU A 141 -9.502 11.336 -5.072 1.00 15.24 O ATOM 2183 CB GLU A 141 -12.737 11.327 -4.258 1.00 71.53 C ATOM 2184 CG GLU A 141 -13.918 12.106 -3.642 1.00 52.20 C ATOM 2185 CD GLU A 141 -15.254 11.806 -4.330 1.00 35.23 C ATOM 2186 OE1 GLU A 141 -15.487 12.314 -5.445 1.00 3.15 O ATOM 2187 OE2 GLU A 141 -16.069 11.040 -3.776 1.00 53.44 O ATOM 0 H GLU A 141 -10.989 13.427 -4.564 1.00 32.14 H new ATOM 0 HA GLU A 141 -11.436 11.283 -2.535 1.00 0.32 H new ATOM 0 HB2 GLU A 141 -12.659 11.581 -5.315 1.00 71.53 H new ATOM 0 HB3 GLU A 141 -12.950 10.260 -4.202 1.00 71.53 H new ATOM 0 HG2 GLU A 141 -13.997 11.859 -2.583 1.00 52.20 H new ATOM 0 HG3 GLU A 141 -13.714 13.175 -3.706 1.00 52.20 H new ATOM 2194 N ILE A 142 -10.163 9.507 -3.900 1.00 34.14 N ATOM 2195 CA ILE A 142 -9.099 8.598 -4.364 1.00 55.02 C ATOM 2196 C ILE A 142 -9.624 7.142 -4.383 1.00 3.05 C ATOM 2197 O ILE A 142 -10.428 6.748 -3.529 1.00 63.45 O ATOM 2198 CB ILE A 142 -7.819 8.723 -3.442 1.00 14.10 C ATOM 2199 CG1 ILE A 142 -6.651 7.771 -3.892 1.00 12.22 C ATOM 2200 CG2 ILE A 142 -8.182 8.503 -1.951 1.00 31.04 C ATOM 2201 CD1 ILE A 142 -6.068 8.061 -5.273 1.00 52.34 C ATOM 0 H ILE A 142 -10.835 9.057 -3.279 1.00 34.14 H new ATOM 0 HA ILE A 142 -8.811 8.879 -5.377 1.00 55.02 H new ATOM 0 HB ILE A 142 -7.449 9.742 -3.557 1.00 14.10 H new ATOM 0 HG12 ILE A 142 -5.849 7.834 -3.157 1.00 12.22 H new ATOM 0 HG13 ILE A 142 -7.016 6.744 -3.878 1.00 12.22 H new ATOM 0 HG21 ILE A 142 -7.284 8.595 -1.340 1.00 31.04 H new ATOM 0 HG22 ILE A 142 -8.910 9.252 -1.640 1.00 31.04 H new ATOM 0 HG23 ILE A 142 -8.608 7.508 -1.823 1.00 31.04 H new ATOM 0 HD11 ILE A 142 -5.270 7.350 -5.488 1.00 52.34 H new ATOM 0 HD12 ILE A 142 -6.851 7.967 -6.026 1.00 52.34 H new ATOM 0 HD13 ILE A 142 -5.666 9.074 -5.293 1.00 52.34 H new ATOM 2213 N THR A 143 -9.172 6.370 -5.381 1.00 60.44 N ATOM 2214 CA THR A 143 -9.503 4.949 -5.541 1.00 64.04 C ATOM 2215 C THR A 143 -8.628 4.085 -4.601 1.00 22.21 C ATOM 2216 O THR A 143 -7.399 4.177 -4.653 1.00 20.53 O ATOM 2217 CB THR A 143 -9.265 4.520 -7.025 1.00 24.25 C ATOM 2218 OG1 THR A 143 -10.035 5.356 -7.908 1.00 51.03 O ATOM 2219 CG2 THR A 143 -9.628 3.047 -7.273 1.00 30.24 C ATOM 0 H THR A 143 -8.555 6.723 -6.112 1.00 60.44 H new ATOM 0 HA THR A 143 -10.551 4.798 -5.282 1.00 64.04 H new ATOM 0 HB THR A 143 -8.200 4.639 -7.226 1.00 24.25 H new ATOM 0 HG1 THR A 143 -9.879 5.082 -8.836 1.00 51.03 H new ATOM 0 HG21 THR A 143 -9.445 2.798 -8.318 1.00 30.24 H new ATOM 0 HG22 THR A 143 -9.016 2.409 -6.636 1.00 30.24 H new ATOM 0 HG23 THR A 143 -10.681 2.888 -7.041 1.00 30.24 H new ATOM 2227 N LEU A 144 -9.265 3.243 -3.759 1.00 64.31 N ATOM 2228 CA LEU A 144 -8.578 2.354 -2.790 1.00 11.25 C ATOM 2229 C LEU A 144 -8.829 0.885 -3.182 1.00 22.24 C ATOM 2230 O LEU A 144 -9.852 0.299 -2.805 1.00 11.24 O ATOM 2231 CB LEU A 144 -9.072 2.624 -1.317 1.00 71.25 C ATOM 2232 CG LEU A 144 -8.263 3.659 -0.473 1.00 24.30 C ATOM 2233 CD1 LEU A 144 -6.842 3.137 -0.160 1.00 63.32 C ATOM 2234 CD2 LEU A 144 -8.215 5.025 -1.166 1.00 31.11 C ATOM 0 H LEU A 144 -10.281 3.159 -3.731 1.00 64.31 H new ATOM 0 HA LEU A 144 -7.509 2.562 -2.820 1.00 11.25 H new ATOM 0 HB2 LEU A 144 -10.107 2.962 -1.364 1.00 71.25 H new ATOM 0 HB3 LEU A 144 -9.070 1.675 -0.781 1.00 71.25 H new ATOM 0 HG LEU A 144 -8.782 3.790 0.476 1.00 24.30 H new ATOM 0 HD11 LEU A 144 -6.303 3.879 0.429 1.00 63.32 H new ATOM 0 HD12 LEU A 144 -6.912 2.207 0.405 1.00 63.32 H new ATOM 0 HD13 LEU A 144 -6.307 2.956 -1.092 1.00 63.32 H new ATOM 0 HD21 LEU A 144 -7.645 5.724 -0.554 1.00 31.11 H new ATOM 0 HD22 LEU A 144 -7.737 4.922 -2.140 1.00 31.11 H new ATOM 0 HD23 LEU A 144 -9.229 5.402 -1.298 1.00 31.11 H new ATOM 2246 N ASP A 145 -7.907 0.308 -3.963 1.00 54.35 N ATOM 2247 CA ASP A 145 -7.947 -1.116 -4.329 1.00 61.32 C ATOM 2248 C ASP A 145 -6.928 -1.866 -3.451 1.00 33.01 C ATOM 2249 O ASP A 145 -5.735 -1.893 -3.752 1.00 53.31 O ATOM 2250 CB ASP A 145 -7.651 -1.300 -5.849 1.00 2.51 C ATOM 2251 CG ASP A 145 -7.992 -2.712 -6.377 1.00 11.32 C ATOM 2252 OD1 ASP A 145 -9.150 -2.949 -6.771 1.00 72.41 O ATOM 2253 OD2 ASP A 145 -7.115 -3.580 -6.404 1.00 1.30 O ATOM 0 H ASP A 145 -7.114 0.812 -4.359 1.00 54.35 H new ATOM 0 HA ASP A 145 -8.941 -1.527 -4.153 1.00 61.32 H new ATOM 0 HB2 ASP A 145 -8.221 -0.562 -6.414 1.00 2.51 H new ATOM 0 HB3 ASP A 145 -6.596 -1.097 -6.033 1.00 2.51 H new ATOM 2258 N PHE A 146 -7.418 -2.422 -2.324 1.00 60.24 N ATOM 2259 CA PHE A 146 -6.595 -3.209 -1.350 1.00 4.33 C ATOM 2260 C PHE A 146 -6.091 -4.522 -1.967 1.00 14.44 C ATOM 2261 O PHE A 146 -5.229 -5.204 -1.410 1.00 54.41 O ATOM 2262 CB PHE A 146 -7.431 -3.530 -0.089 1.00 71.43 C ATOM 2263 CG PHE A 146 -8.173 -2.331 0.458 1.00 5.31 C ATOM 2264 CD1 PHE A 146 -7.489 -1.151 0.751 1.00 12.24 C ATOM 2265 CD2 PHE A 146 -9.557 -2.362 0.638 1.00 43.32 C ATOM 2266 CE1 PHE A 146 -8.164 -0.053 1.209 1.00 65.24 C ATOM 2267 CE2 PHE A 146 -10.223 -1.255 1.095 1.00 2.55 C ATOM 2268 CZ PHE A 146 -9.527 -0.104 1.378 1.00 12.15 C ATOM 0 H PHE A 146 -8.398 -2.344 -2.052 1.00 60.24 H new ATOM 0 HA PHE A 146 -5.732 -2.600 -1.082 1.00 4.33 H new ATOM 0 HB2 PHE A 146 -8.149 -4.315 -0.327 1.00 71.43 H new ATOM 0 HB3 PHE A 146 -6.772 -3.925 0.684 1.00 71.43 H new ATOM 0 HD1 PHE A 146 -6.419 -1.104 0.615 1.00 12.24 H new ATOM 0 HD2 PHE A 146 -10.107 -3.265 0.416 1.00 43.32 H new ATOM 0 HE1 PHE A 146 -7.625 0.855 1.438 1.00 65.24 H new ATOM 0 HE2 PHE A 146 -11.294 -1.287 1.233 1.00 2.55 H new ATOM 0 HZ PHE A 146 -10.055 0.767 1.736 1.00 12.15 H new ATOM 2278 N ASN A 147 -6.675 -4.845 -3.114 1.00 21.21 N ATOM 2279 CA ASN A 147 -6.371 -6.028 -3.911 1.00 23.23 C ATOM 2280 C ASN A 147 -5.078 -5.790 -4.730 1.00 5.35 C ATOM 2281 O ASN A 147 -4.691 -6.620 -5.542 1.00 44.45 O ATOM 2282 CB ASN A 147 -7.591 -6.316 -4.833 1.00 50.11 C ATOM 2283 CG ASN A 147 -8.944 -5.955 -4.184 1.00 11.20 C ATOM 2284 OD1 ASN A 147 -9.798 -5.272 -4.917 1.00 30.24 O flip ATOM 2285 ND2 ASN A 147 -9.175 -6.205 -3.001 1.00 44.42 N flip ATOM 0 H ASN A 147 -7.404 -4.266 -3.532 1.00 21.21 H new ATOM 0 HA ASN A 147 -6.196 -6.894 -3.273 1.00 23.23 H new ATOM 0 HB2 ASN A 147 -7.478 -5.753 -5.760 1.00 50.11 H new ATOM 0 HB3 ASN A 147 -7.594 -7.373 -5.100 1.00 50.11 H new ATOM 0 HD21 ASN A 147 -8.500 -6.736 -2.451 1.00 44.42 H new ATOM 0 HD22 ASN A 147 -10.042 -5.881 -2.571 1.00 44.42 H new ATOM 2292 N LEU A 148 -4.454 -4.605 -4.536 1.00 35.11 N ATOM 2293 CA LEU A 148 -3.091 -4.295 -5.006 1.00 64.21 C ATOM 2294 C LEU A 148 -2.110 -4.302 -3.823 1.00 75.54 C ATOM 2295 O LEU A 148 -1.089 -3.612 -3.855 1.00 14.12 O ATOM 2296 CB LEU A 148 -3.056 -2.906 -5.722 1.00 71.51 C ATOM 2297 CG LEU A 148 -4.017 -2.731 -6.927 1.00 3.00 C ATOM 2298 CD1 LEU A 148 -3.750 -1.414 -7.692 1.00 15.00 C ATOM 2299 CD2 LEU A 148 -3.966 -3.958 -7.849 1.00 14.33 C ATOM 0 H LEU A 148 -4.893 -3.829 -4.041 1.00 35.11 H new ATOM 0 HA LEU A 148 -2.792 -5.060 -5.722 1.00 64.21 H new ATOM 0 HB2 LEU A 148 -3.286 -2.136 -4.986 1.00 71.51 H new ATOM 0 HB3 LEU A 148 -2.038 -2.724 -6.067 1.00 71.51 H new ATOM 0 HG LEU A 148 -5.032 -2.657 -6.536 1.00 3.00 H new ATOM 0 HD11 LEU A 148 -4.445 -1.331 -8.528 1.00 15.00 H new ATOM 0 HD12 LEU A 148 -3.889 -0.568 -7.019 1.00 15.00 H new ATOM 0 HD13 LEU A 148 -2.727 -1.413 -8.069 1.00 15.00 H new ATOM 0 HD21 LEU A 148 -4.648 -3.812 -8.687 1.00 14.33 H new ATOM 0 HD22 LEU A 148 -2.951 -4.088 -8.226 1.00 14.33 H new ATOM 0 HD23 LEU A 148 -4.262 -4.846 -7.290 1.00 14.33 H new ATOM 2311 N ALA A 149 -2.417 -5.082 -2.769 1.00 61.24 N ATOM 2312 CA ALA A 149 -1.528 -5.187 -1.604 1.00 32.31 C ATOM 2313 C ALA A 149 -0.293 -6.035 -1.967 1.00 71.23 C ATOM 2314 O ALA A 149 -0.400 -7.246 -2.151 1.00 23.23 O ATOM 2315 CB ALA A 149 -2.266 -5.751 -0.372 1.00 61.22 C ATOM 0 H ALA A 149 -3.267 -5.643 -2.703 1.00 61.24 H new ATOM 0 HA ALA A 149 -1.193 -4.186 -1.331 1.00 32.31 H new ATOM 0 HB1 ALA A 149 -1.575 -5.814 0.469 1.00 61.22 H new ATOM 0 HB2 ALA A 149 -3.095 -5.093 -0.112 1.00 61.22 H new ATOM 0 HB3 ALA A 149 -2.649 -6.745 -0.601 1.00 61.22 H new ATOM 2321 N TYR A 150 0.867 -5.357 -2.040 1.00 33.21 N ATOM 2322 CA TYR A 150 2.133 -5.903 -2.550 1.00 22.50 C ATOM 2323 C TYR A 150 2.821 -6.757 -1.481 1.00 33.23 C ATOM 2324 O TYR A 150 2.601 -6.551 -0.272 1.00 33.24 O ATOM 2325 CB TYR A 150 3.073 -4.740 -2.990 1.00 61.22 C ATOM 2326 CG TYR A 150 2.377 -3.711 -3.899 1.00 51.15 C ATOM 2327 CD1 TYR A 150 1.849 -4.093 -5.133 1.00 33.42 C ATOM 2328 CD2 TYR A 150 2.208 -2.373 -3.510 1.00 1.03 C ATOM 2329 CE1 TYR A 150 1.185 -3.192 -5.939 1.00 0.44 C ATOM 2330 CE2 TYR A 150 1.550 -1.469 -4.321 1.00 74.22 C ATOM 2331 CZ TYR A 150 1.040 -1.881 -5.531 1.00 23.24 C ATOM 2332 OH TYR A 150 0.364 -0.987 -6.328 1.00 44.04 O ATOM 0 H TYR A 150 0.949 -4.387 -1.737 1.00 33.21 H new ATOM 0 HA TYR A 150 1.917 -6.535 -3.411 1.00 22.50 H new ATOM 0 HB2 TYR A 150 3.454 -4.233 -2.103 1.00 61.22 H new ATOM 0 HB3 TYR A 150 3.934 -5.155 -3.514 1.00 61.22 H new ATOM 0 HD1 TYR A 150 1.963 -5.115 -5.464 1.00 33.42 H new ATOM 0 HD2 TYR A 150 2.600 -2.044 -2.559 1.00 1.03 H new ATOM 0 HE1 TYR A 150 0.779 -3.511 -6.888 1.00 0.44 H new ATOM 0 HE2 TYR A 150 1.436 -0.442 -4.007 1.00 74.22 H new ATOM 0 HH TYR A 150 0.351 -0.108 -5.895 1.00 44.04 H new ATOM 2342 N SER A 151 3.610 -7.741 -1.960 1.00 70.14 N ATOM 2343 CA SER A 151 4.401 -8.662 -1.128 1.00 13.22 C ATOM 2344 C SER A 151 5.173 -7.946 0.021 1.00 71.41 C ATOM 2345 O SER A 151 5.920 -6.982 -0.235 1.00 51.32 O ATOM 2346 CB SER A 151 5.389 -9.424 -2.038 1.00 61.55 C ATOM 2347 OG SER A 151 4.714 -10.054 -3.121 1.00 31.12 O ATOM 0 H SER A 151 3.715 -7.919 -2.959 1.00 70.14 H new ATOM 0 HA SER A 151 3.707 -9.349 -0.644 1.00 13.22 H new ATOM 0 HB2 SER A 151 6.137 -8.732 -2.426 1.00 61.55 H new ATOM 0 HB3 SER A 151 5.921 -10.174 -1.453 1.00 61.55 H new ATOM 0 HG SER A 151 4.252 -10.855 -2.797 1.00 31.12 H new ATOM 2353 N PRO A 152 4.992 -8.413 1.304 1.00 23.31 N ATOM 2354 CA PRO A 152 5.635 -7.795 2.488 1.00 24.21 C ATOM 2355 C PRO A 152 7.156 -8.013 2.529 1.00 42.44 C ATOM 2356 O PRO A 152 7.612 -9.160 2.517 1.00 32.32 O ATOM 2357 CB PRO A 152 4.953 -8.522 3.692 1.00 12.40 C ATOM 2358 CG PRO A 152 3.775 -9.252 3.125 1.00 41.41 C ATOM 2359 CD PRO A 152 4.141 -9.571 1.697 1.00 45.03 C ATOM 0 HA PRO A 152 5.509 -6.712 2.490 1.00 24.21 H new ATOM 0 HB2 PRO A 152 5.645 -9.213 4.172 1.00 12.40 H new ATOM 0 HB3 PRO A 152 4.639 -7.806 4.452 1.00 12.40 H new ATOM 0 HG2 PRO A 152 3.570 -10.162 3.689 1.00 41.41 H new ATOM 0 HG3 PRO A 152 2.875 -8.639 3.171 1.00 41.41 H new ATOM 0 HD2 PRO A 152 4.682 -10.514 1.620 1.00 45.03 H new ATOM 0 HD3 PRO A 152 3.258 -9.657 1.063 1.00 45.03 H new ATOM 2367 N PHE A 153 7.930 -6.910 2.534 1.00 54.23 N ATOM 2368 CA PHE A 153 9.374 -6.946 2.833 1.00 43.43 C ATOM 2369 C PHE A 153 9.677 -7.613 4.193 1.00 21.21 C ATOM 2370 O PHE A 153 10.441 -8.580 4.247 1.00 4.44 O ATOM 2371 CB PHE A 153 9.974 -5.513 2.800 1.00 1.41 C ATOM 2372 CG PHE A 153 9.795 -4.766 1.479 1.00 20.12 C ATOM 2373 CD1 PHE A 153 10.714 -4.926 0.436 1.00 74.14 C ATOM 2374 CD2 PHE A 153 8.721 -3.890 1.284 1.00 43.14 C ATOM 2375 CE1 PHE A 153 10.561 -4.241 -0.756 1.00 63.41 C ATOM 2376 CE2 PHE A 153 8.574 -3.205 0.094 1.00 1.54 C ATOM 2377 CZ PHE A 153 9.493 -3.378 -0.925 1.00 2.34 C ATOM 0 H PHE A 153 7.574 -5.975 2.332 1.00 54.23 H new ATOM 0 HA PHE A 153 9.842 -7.553 2.058 1.00 43.43 H new ATOM 0 HB2 PHE A 153 9.517 -4.926 3.596 1.00 1.41 H new ATOM 0 HB3 PHE A 153 11.039 -5.577 3.022 1.00 1.41 H new ATOM 0 HD1 PHE A 153 11.554 -5.593 0.563 1.00 74.14 H new ATOM 0 HD2 PHE A 153 7.998 -3.748 2.074 1.00 43.14 H new ATOM 0 HE1 PHE A 153 11.275 -4.380 -1.554 1.00 63.41 H new ATOM 0 HE2 PHE A 153 7.740 -2.533 -0.041 1.00 1.54 H new ATOM 0 HZ PHE A 153 9.377 -2.839 -1.854 1.00 2.34 H new ATOM 2387 N CYS A 154 9.058 -7.080 5.268 1.00 52.53 N ATOM 2388 CA CYS A 154 9.313 -7.494 6.664 1.00 3.30 C ATOM 2389 C CYS A 154 9.067 -8.998 6.919 1.00 73.51 C ATOM 2390 O CYS A 154 9.982 -9.713 7.345 1.00 31.34 O ATOM 2391 CB CYS A 154 8.440 -6.648 7.610 1.00 32.42 C ATOM 2392 SG CYS A 154 8.504 -7.163 9.332 1.00 15.32 S ATOM 0 H CYS A 154 8.359 -6.341 5.190 1.00 52.53 H new ATOM 0 HA CYS A 154 10.372 -7.324 6.859 1.00 3.30 H new ATOM 0 HB2 CYS A 154 8.755 -5.607 7.542 1.00 32.42 H new ATOM 0 HB3 CYS A 154 7.406 -6.691 7.268 1.00 32.42 H new ATOM 0 HG CYS A 154 7.732 -6.396 10.043 1.00 15.32 H new ATOM 2398 N ALA A 155 7.835 -9.471 6.646 1.00 64.42 N ATOM 2399 CA ALA A 155 7.419 -10.869 6.928 1.00 2.45 C ATOM 2400 C ALA A 155 8.223 -11.905 6.120 1.00 41.30 C ATOM 2401 O ALA A 155 8.236 -13.090 6.467 1.00 43.33 O ATOM 2402 CB ALA A 155 5.918 -11.047 6.635 1.00 31.23 C ATOM 0 H ALA A 155 7.100 -8.902 6.226 1.00 64.42 H new ATOM 0 HA ALA A 155 7.621 -11.047 7.984 1.00 2.45 H new ATOM 0 HB1 ALA A 155 5.626 -12.076 6.846 1.00 31.23 H new ATOM 0 HB2 ALA A 155 5.341 -10.370 7.265 1.00 31.23 H new ATOM 0 HB3 ALA A 155 5.723 -10.822 5.587 1.00 31.23 H new ATOM 2408 N TYR A 156 8.833 -11.459 5.010 1.00 40.05 N ATOM 2409 CA TYR A 156 9.574 -12.339 4.087 1.00 60.41 C ATOM 2410 C TYR A 156 11.100 -12.181 4.260 1.00 0.34 C ATOM 2411 O TYR A 156 11.857 -13.047 3.815 1.00 14.53 O ATOM 2412 CB TYR A 156 9.113 -12.066 2.620 1.00 4.32 C ATOM 2413 CG TYR A 156 7.691 -12.590 2.279 1.00 13.32 C ATOM 2414 CD1 TYR A 156 6.590 -12.307 3.092 1.00 41.33 C ATOM 2415 CD2 TYR A 156 7.450 -13.363 1.140 1.00 62.43 C ATOM 2416 CE1 TYR A 156 5.323 -12.774 2.797 1.00 13.02 C ATOM 2417 CE2 TYR A 156 6.179 -13.829 0.837 1.00 51.44 C ATOM 2418 CZ TYR A 156 5.121 -13.531 1.669 1.00 44.44 C ATOM 2419 OH TYR A 156 3.856 -13.987 1.373 1.00 22.33 O ATOM 0 H TYR A 156 8.827 -10.479 4.726 1.00 40.05 H new ATOM 0 HA TYR A 156 9.347 -13.378 4.327 1.00 60.41 H new ATOM 0 HB2 TYR A 156 9.143 -10.992 2.438 1.00 4.32 H new ATOM 0 HB3 TYR A 156 9.828 -12.525 1.937 1.00 4.32 H new ATOM 0 HD1 TYR A 156 6.734 -11.705 3.977 1.00 41.33 H new ATOM 0 HD2 TYR A 156 8.271 -13.603 0.481 1.00 62.43 H new ATOM 0 HE1 TYR A 156 4.495 -12.544 3.451 1.00 13.02 H new ATOM 0 HE2 TYR A 156 6.019 -14.425 -0.050 1.00 51.44 H new ATOM 0 HH TYR A 156 3.881 -14.506 0.542 1.00 22.33 H new ATOM 2429 N SER A 157 11.556 -11.094 4.915 1.00 53.25 N ATOM 2430 CA SER A 157 12.992 -10.866 5.199 1.00 2.31 C ATOM 2431 C SER A 157 13.180 -10.051 6.489 1.00 3.25 C ATOM 2432 O SER A 157 12.668 -8.934 6.612 1.00 34.03 O ATOM 2433 CB SER A 157 13.688 -10.148 4.019 1.00 12.14 C ATOM 2434 OG SER A 157 13.817 -10.993 2.901 1.00 23.13 O ATOM 0 H SER A 157 10.946 -10.353 5.261 1.00 53.25 H new ATOM 0 HA SER A 157 13.454 -11.844 5.333 1.00 2.31 H new ATOM 0 HB2 SER A 157 13.115 -9.263 3.742 1.00 12.14 H new ATOM 0 HB3 SER A 157 14.674 -9.805 4.332 1.00 12.14 H new ATOM 0 HG SER A 157 12.928 -11.202 2.545 1.00 23.13 H new ATOM 2440 N ASP A 158 13.971 -10.616 7.420 1.00 32.40 N ATOM 2441 CA ASP A 158 14.264 -10.008 8.734 1.00 33.33 C ATOM 2442 C ASP A 158 15.373 -8.947 8.652 1.00 71.13 C ATOM 2443 O ASP A 158 15.634 -8.260 9.647 1.00 64.01 O ATOM 2444 CB ASP A 158 14.648 -11.099 9.765 1.00 24.41 C ATOM 2445 CG ASP A 158 13.466 -12.010 10.115 1.00 64.31 C ATOM 2446 OD1 ASP A 158 12.596 -11.586 10.902 1.00 62.24 O ATOM 2447 OD2 ASP A 158 13.388 -13.141 9.595 1.00 11.05 O ATOM 0 H ASP A 158 14.430 -11.516 7.281 1.00 32.40 H new ATOM 0 HA ASP A 158 13.354 -9.506 9.062 1.00 33.33 H new ATOM 0 HB2 ASP A 158 15.463 -11.702 9.366 1.00 24.41 H new ATOM 0 HB3 ASP A 158 15.019 -10.623 10.673 1.00 24.41 H new ATOM 2452 N THR A 159 16.034 -8.827 7.476 1.00 53.11 N ATOM 2453 CA THR A 159 17.035 -7.770 7.224 1.00 64.15 C ATOM 2454 C THR A 159 16.351 -6.383 7.179 1.00 2.54 C ATOM 2455 O THR A 159 16.986 -5.360 7.455 1.00 22.54 O ATOM 2456 CB THR A 159 17.846 -8.023 5.898 1.00 41.14 C ATOM 2457 OG1 THR A 159 18.906 -7.057 5.774 1.00 70.23 O ATOM 2458 CG2 THR A 159 16.964 -7.969 4.633 1.00 0.24 C ATOM 0 H THR A 159 15.889 -9.454 6.685 1.00 53.11 H new ATOM 0 HA THR A 159 17.747 -7.794 8.049 1.00 64.15 H new ATOM 0 HB THR A 159 18.253 -9.031 5.972 1.00 41.14 H new ATOM 0 HG1 THR A 159 19.405 -7.224 4.947 1.00 70.23 H new ATOM 0 HG21 THR A 159 17.580 -8.151 3.752 1.00 0.24 H new ATOM 0 HG22 THR A 159 16.188 -8.732 4.697 1.00 0.24 H new ATOM 0 HG23 THR A 159 16.500 -6.986 4.555 1.00 0.24 H new ATOM 2466 N PHE A 160 15.038 -6.370 6.879 1.00 24.43 N ATOM 2467 CA PHE A 160 14.229 -5.152 6.882 1.00 15.43 C ATOM 2468 C PHE A 160 13.643 -4.991 8.297 1.00 11.22 C ATOM 2469 O PHE A 160 13.174 -5.979 8.884 1.00 41.02 O ATOM 2470 CB PHE A 160 13.084 -5.253 5.841 1.00 43.21 C ATOM 2471 CG PHE A 160 13.525 -5.362 4.379 1.00 32.31 C ATOM 2472 CD1 PHE A 160 13.804 -4.221 3.626 1.00 65.41 C ATOM 2473 CD2 PHE A 160 13.643 -6.604 3.753 1.00 73.20 C ATOM 2474 CE1 PHE A 160 14.183 -4.324 2.298 1.00 54.14 C ATOM 2475 CE2 PHE A 160 14.025 -6.703 2.427 1.00 43.31 C ATOM 2476 CZ PHE A 160 14.298 -5.564 1.701 1.00 44.44 C ATOM 0 H PHE A 160 14.515 -7.209 6.628 1.00 24.43 H new ATOM 0 HA PHE A 160 14.842 -4.291 6.616 1.00 15.43 H new ATOM 0 HB2 PHE A 160 12.473 -6.123 6.083 1.00 43.21 H new ATOM 0 HB3 PHE A 160 12.445 -4.376 5.944 1.00 43.21 H new ATOM 0 HD1 PHE A 160 13.723 -3.246 4.084 1.00 65.41 H new ATOM 0 HD2 PHE A 160 13.433 -7.503 4.313 1.00 73.20 H new ATOM 0 HE1 PHE A 160 14.389 -3.431 1.727 1.00 54.14 H new ATOM 0 HE2 PHE A 160 14.109 -7.673 1.961 1.00 43.31 H new ATOM 0 HZ PHE A 160 14.601 -5.641 0.667 1.00 44.44 H new ATOM 2486 N SER A 161 13.706 -3.772 8.854 1.00 53.23 N ATOM 2487 CA SER A 161 13.135 -3.468 10.178 1.00 44.51 C ATOM 2488 C SER A 161 11.596 -3.473 10.086 1.00 4.42 C ATOM 2489 O SER A 161 11.044 -2.940 9.121 1.00 31.42 O ATOM 2490 CB SER A 161 13.649 -2.092 10.667 1.00 43.15 C ATOM 2491 OG SER A 161 15.070 -2.050 10.704 1.00 34.21 O ATOM 0 H SER A 161 14.151 -2.972 8.404 1.00 53.23 H new ATOM 0 HA SER A 161 13.446 -4.227 10.896 1.00 44.51 H new ATOM 0 HB2 SER A 161 13.278 -1.308 10.007 1.00 43.15 H new ATOM 0 HB3 SER A 161 13.252 -1.886 11.661 1.00 43.15 H new ATOM 0 HG SER A 161 15.363 -1.168 11.015 1.00 34.21 H new ATOM 2497 N CYS A 162 10.911 -4.070 11.081 1.00 72.23 N ATOM 2498 CA CYS A 162 9.443 -4.181 11.086 1.00 13.12 C ATOM 2499 C CYS A 162 8.834 -2.865 11.619 1.00 1.14 C ATOM 2500 O CYS A 162 8.979 -2.572 12.810 1.00 43.13 O ATOM 2501 CB CYS A 162 8.993 -5.372 11.968 1.00 23.41 C ATOM 2502 SG CYS A 162 7.203 -5.661 11.954 1.00 11.35 S ATOM 0 H CYS A 162 11.358 -4.486 11.898 1.00 72.23 H new ATOM 0 HA CYS A 162 9.094 -4.358 10.069 1.00 13.12 H new ATOM 0 HB2 CYS A 162 9.500 -6.275 11.628 1.00 23.41 H new ATOM 0 HB3 CYS A 162 9.314 -5.193 12.994 1.00 23.41 H new ATOM 0 HG CYS A 162 6.921 -6.676 12.716 1.00 11.35 H new ATOM 2508 N PRO A 163 8.165 -2.037 10.760 1.00 73.33 N ATOM 2509 CA PRO A 163 7.626 -0.739 11.188 1.00 2.20 C ATOM 2510 C PRO A 163 6.275 -0.907 11.907 1.00 44.23 C ATOM 2511 O PRO A 163 5.449 -1.739 11.511 1.00 52.52 O ATOM 2512 CB PRO A 163 7.490 0.030 9.859 1.00 73.51 C ATOM 2513 CG PRO A 163 7.201 -1.023 8.823 1.00 10.44 C ATOM 2514 CD PRO A 163 7.854 -2.310 9.328 1.00 40.32 C ATOM 0 HA PRO A 163 8.256 -0.220 11.910 1.00 2.20 H new ATOM 0 HB2 PRO A 163 6.686 0.764 9.909 1.00 73.51 H new ATOM 0 HB3 PRO A 163 8.405 0.574 9.623 1.00 73.51 H new ATOM 0 HG2 PRO A 163 6.127 -1.157 8.693 1.00 10.44 H new ATOM 0 HG3 PRO A 163 7.606 -0.736 7.853 1.00 10.44 H new ATOM 0 HD2 PRO A 163 7.183 -3.162 9.224 1.00 40.32 H new ATOM 0 HD3 PRO A 163 8.757 -2.544 8.764 1.00 40.32 H new ATOM 2522 N LEU A 164 6.088 -0.142 12.992 1.00 62.25 N ATOM 2523 CA LEU A 164 4.818 -0.082 13.725 1.00 63.43 C ATOM 2524 C LEU A 164 3.824 0.799 12.941 1.00 12.22 C ATOM 2525 O LEU A 164 4.031 2.025 12.855 1.00 43.24 O ATOM 2526 CB LEU A 164 5.040 0.482 15.160 1.00 74.43 C ATOM 2527 CG LEU A 164 6.076 -0.286 16.047 1.00 32.52 C ATOM 2528 CD1 LEU A 164 6.205 0.357 17.444 1.00 62.54 C ATOM 2529 CD2 LEU A 164 5.728 -1.792 16.150 1.00 15.35 C ATOM 0 H LEU A 164 6.816 0.454 13.386 1.00 62.25 H new ATOM 0 HA LEU A 164 4.409 -1.087 13.823 1.00 63.43 H new ATOM 0 HB2 LEU A 164 5.363 1.520 15.075 1.00 74.43 H new ATOM 0 HB3 LEU A 164 4.081 0.488 15.679 1.00 74.43 H new ATOM 0 HG LEU A 164 7.047 -0.208 15.557 1.00 32.52 H new ATOM 0 HD11 LEU A 164 6.932 -0.200 18.035 1.00 62.54 H new ATOM 0 HD12 LEU A 164 6.537 1.390 17.340 1.00 62.54 H new ATOM 0 HD13 LEU A 164 5.237 0.336 17.945 1.00 62.54 H new ATOM 0 HD21 LEU A 164 6.468 -2.295 16.773 1.00 15.35 H new ATOM 0 HD22 LEU A 164 4.740 -1.907 16.595 1.00 15.35 H new ATOM 0 HD23 LEU A 164 5.731 -2.235 15.154 1.00 15.35 H new ATOM 2541 N PRO A 165 2.756 0.200 12.318 1.00 43.12 N ATOM 2542 CA PRO A 165 1.748 0.977 11.584 1.00 3.15 C ATOM 2543 C PRO A 165 0.741 1.622 12.575 1.00 53.21 C ATOM 2544 O PRO A 165 0.370 0.973 13.568 1.00 31.21 O ATOM 2545 CB PRO A 165 1.099 -0.085 10.664 1.00 41.12 C ATOM 2546 CG PRO A 165 1.166 -1.367 11.454 1.00 2.45 C ATOM 2547 CD PRO A 165 2.431 -1.266 12.306 1.00 31.54 C ATOM 0 HA PRO A 165 2.148 1.816 11.014 1.00 3.15 H new ATOM 0 HB2 PRO A 165 0.069 0.177 10.421 1.00 41.12 H new ATOM 0 HB3 PRO A 165 1.637 -0.173 9.720 1.00 41.12 H new ATOM 0 HG2 PRO A 165 0.282 -1.487 12.080 1.00 2.45 H new ATOM 0 HG3 PRO A 165 1.208 -2.232 10.792 1.00 2.45 H new ATOM 0 HD2 PRO A 165 2.262 -1.644 13.314 1.00 31.54 H new ATOM 0 HD3 PRO A 165 3.246 -1.850 11.879 1.00 31.54 H new ATOM 2555 N PRO A 166 0.328 2.921 12.355 1.00 54.04 N ATOM 2556 CA PRO A 166 -0.619 3.639 13.257 1.00 3.44 C ATOM 2557 C PRO A 166 -1.907 2.835 13.565 1.00 4.15 C ATOM 2558 O PRO A 166 -2.385 2.049 12.741 1.00 44.23 O ATOM 2559 CB PRO A 166 -0.928 4.974 12.502 1.00 32.44 C ATOM 2560 CG PRO A 166 -0.354 4.803 11.120 1.00 32.45 C ATOM 2561 CD PRO A 166 0.787 3.812 11.257 1.00 34.52 C ATOM 0 HA PRO A 166 -0.182 3.802 14.242 1.00 3.44 H new ATOM 0 HB2 PRO A 166 -2.001 5.161 12.460 1.00 32.44 H new ATOM 0 HB3 PRO A 166 -0.476 5.825 13.011 1.00 32.44 H new ATOM 0 HG2 PRO A 166 -1.110 4.433 10.427 1.00 32.45 H new ATOM 0 HG3 PRO A 166 0.002 5.755 10.725 1.00 32.45 H new ATOM 0 HD2 PRO A 166 0.954 3.259 10.333 1.00 34.52 H new ATOM 0 HD3 PRO A 166 1.725 4.309 11.506 1.00 34.52 H new ATOM 2569 N GLU A 167 -2.452 3.069 14.766 1.00 42.30 N ATOM 2570 CA GLU A 167 -3.595 2.316 15.319 1.00 33.44 C ATOM 2571 C GLU A 167 -4.854 2.400 14.428 1.00 70.13 C ATOM 2572 O GLU A 167 -5.660 1.464 14.387 1.00 53.24 O ATOM 2573 CB GLU A 167 -3.899 2.835 16.746 1.00 64.13 C ATOM 2574 CG GLU A 167 -2.723 2.686 17.739 1.00 55.14 C ATOM 2575 CD GLU A 167 -2.964 3.418 19.064 1.00 60.23 C ATOM 2576 OE1 GLU A 167 -3.722 2.900 19.903 1.00 42.51 O ATOM 2577 OE2 GLU A 167 -2.426 4.531 19.256 1.00 12.41 O ATOM 0 H GLU A 167 -2.109 3.797 15.393 1.00 42.30 H new ATOM 0 HA GLU A 167 -3.317 1.263 15.354 1.00 33.44 H new ATOM 0 HB2 GLU A 167 -4.178 3.887 16.686 1.00 64.13 H new ATOM 0 HB3 GLU A 167 -4.762 2.298 17.139 1.00 64.13 H new ATOM 0 HG2 GLU A 167 -2.556 1.628 17.940 1.00 55.14 H new ATOM 0 HG3 GLU A 167 -1.814 3.071 17.277 1.00 55.14 H new ATOM 2584 N SER A 168 -4.984 3.522 13.709 1.00 75.33 N ATOM 2585 CA SER A 168 -6.166 3.837 12.899 1.00 52.40 C ATOM 2586 C SER A 168 -6.231 3.036 11.580 1.00 53.15 C ATOM 2587 O SER A 168 -7.307 2.923 10.997 1.00 73.30 O ATOM 2588 CB SER A 168 -6.184 5.346 12.620 1.00 31.14 C ATOM 2589 OG SER A 168 -6.045 6.097 13.818 1.00 5.31 O ATOM 0 H SER A 168 -4.264 4.243 13.673 1.00 75.33 H new ATOM 0 HA SER A 168 -7.049 3.543 13.467 1.00 52.40 H new ATOM 0 HB2 SER A 168 -5.376 5.600 11.934 1.00 31.14 H new ATOM 0 HB3 SER A 168 -7.118 5.615 12.127 1.00 31.14 H new ATOM 0 HG SER A 168 -6.058 7.054 13.608 1.00 5.31 H new ATOM 2595 N ASN A 169 -5.103 2.445 11.118 1.00 33.12 N ATOM 2596 CA ASN A 169 -5.098 1.682 9.834 1.00 72.01 C ATOM 2597 C ASN A 169 -5.307 0.176 10.091 1.00 34.43 C ATOM 2598 O ASN A 169 -5.250 -0.634 9.156 1.00 61.01 O ATOM 2599 CB ASN A 169 -3.813 1.952 8.987 1.00 13.52 C ATOM 2600 CG ASN A 169 -2.463 1.636 9.655 1.00 62.52 C ATOM 2601 OD1 ASN A 169 -2.349 0.560 10.422 1.00 72.43 O flip ATOM 2602 ND2 ASN A 169 -1.485 2.332 9.410 1.00 54.52 N flip ATOM 0 H ASN A 169 -4.203 2.476 11.597 1.00 33.12 H new ATOM 0 HA ASN A 169 -5.938 2.042 9.239 1.00 72.01 H new ATOM 0 HB2 ASN A 169 -3.883 1.369 8.069 1.00 13.52 H new ATOM 0 HB3 ASN A 169 -3.811 3.003 8.698 1.00 13.52 H new ATOM 0 HD21 ASN A 169 -1.582 3.158 8.819 1.00 54.52 H new ATOM 0 HD22 ASN A 169 -0.574 2.086 9.797 1.00 54.52 H new ATOM 2609 N TRP A 170 -5.505 -0.194 11.375 1.00 51.34 N ATOM 2610 CA TRP A 170 -5.777 -1.580 11.784 1.00 62.12 C ATOM 2611 C TRP A 170 -7.252 -1.893 11.492 1.00 62.25 C ATOM 2612 O TRP A 170 -8.152 -1.373 12.168 1.00 11.03 O ATOM 2613 CB TRP A 170 -5.464 -1.791 13.297 1.00 33.11 C ATOM 2614 CG TRP A 170 -4.037 -1.479 13.712 1.00 31.24 C ATOM 2615 CD1 TRP A 170 -2.945 -1.294 12.904 1.00 1.14 C ATOM 2616 CD2 TRP A 170 -3.553 -1.344 15.057 1.00 40.11 C ATOM 2617 NE1 TRP A 170 -1.836 -1.018 13.659 1.00 44.03 N ATOM 2618 CE2 TRP A 170 -2.178 -1.052 14.981 1.00 55.40 C ATOM 2619 CE3 TRP A 170 -4.154 -1.429 16.315 1.00 22.32 C ATOM 2620 CZ2 TRP A 170 -1.392 -0.849 16.111 1.00 23.14 C ATOM 2621 CZ3 TRP A 170 -3.377 -1.228 17.438 1.00 44.03 C ATOM 2622 CH2 TRP A 170 -2.006 -0.941 17.330 1.00 12.32 C ATOM 0 H TRP A 170 -5.480 0.464 12.154 1.00 51.34 H new ATOM 0 HA TRP A 170 -5.133 -2.256 11.222 1.00 62.12 H new ATOM 0 HB2 TRP A 170 -6.140 -1.167 13.882 1.00 33.11 H new ATOM 0 HB3 TRP A 170 -5.682 -2.827 13.556 1.00 33.11 H new ATOM 0 HD1 TRP A 170 -2.957 -1.357 11.826 1.00 1.14 H new ATOM 0 HE1 TRP A 170 -0.905 -0.819 13.293 1.00 44.03 H new ATOM 0 HE3 TRP A 170 -5.208 -1.648 16.407 1.00 22.32 H new ATOM 0 HZ2 TRP A 170 -0.338 -0.627 16.029 1.00 23.14 H new ATOM 0 HZ3 TRP A 170 -3.831 -1.292 18.416 1.00 44.03 H new ATOM 0 HH2 TRP A 170 -1.425 -0.790 18.228 1.00 12.32 H new ATOM 2633 N LEU A 171 -7.490 -2.671 10.435 1.00 2.00 N ATOM 2634 CA LEU A 171 -8.838 -3.053 10.013 1.00 50.15 C ATOM 2635 C LEU A 171 -9.254 -4.274 10.839 1.00 61.32 C ATOM 2636 O LEU A 171 -8.577 -5.310 10.785 1.00 44.21 O ATOM 2637 CB LEU A 171 -8.870 -3.387 8.486 1.00 73.41 C ATOM 2638 CG LEU A 171 -8.100 -2.414 7.522 1.00 32.33 C ATOM 2639 CD1 LEU A 171 -8.357 -2.780 6.050 1.00 41.13 C ATOM 2640 CD2 LEU A 171 -8.433 -0.928 7.793 1.00 61.31 C ATOM 0 H LEU A 171 -6.751 -3.055 9.846 1.00 2.00 H new ATOM 0 HA LEU A 171 -9.531 -2.228 10.177 1.00 50.15 H new ATOM 0 HB2 LEU A 171 -8.463 -4.389 8.351 1.00 73.41 H new ATOM 0 HB3 LEU A 171 -9.912 -3.421 8.169 1.00 73.41 H new ATOM 0 HG LEU A 171 -7.037 -2.540 7.727 1.00 32.33 H new ATOM 0 HD11 LEU A 171 -7.813 -2.091 5.404 1.00 41.13 H new ATOM 0 HD12 LEU A 171 -8.017 -3.799 5.864 1.00 41.13 H new ATOM 0 HD13 LEU A 171 -9.424 -2.710 5.839 1.00 41.13 H new ATOM 0 HD21 LEU A 171 -7.875 -0.298 7.100 1.00 61.31 H new ATOM 0 HD22 LEU A 171 -9.501 -0.763 7.653 1.00 61.31 H new ATOM 0 HD23 LEU A 171 -8.157 -0.674 8.817 1.00 61.31 H new ATOM 2652 N GLU A 172 -10.341 -4.158 11.623 1.00 71.45 N ATOM 2653 CA GLU A 172 -10.857 -5.269 12.460 1.00 55.14 C ATOM 2654 C GLU A 172 -11.830 -6.140 11.613 1.00 34.23 C ATOM 2655 O GLU A 172 -12.915 -6.540 12.047 1.00 53.41 O ATOM 2656 CB GLU A 172 -11.529 -4.647 13.729 1.00 44.53 C ATOM 2657 CG GLU A 172 -11.881 -5.632 14.869 1.00 50.24 C ATOM 2658 CD GLU A 172 -10.658 -6.353 15.458 1.00 63.33 C ATOM 2659 OE1 GLU A 172 -9.720 -5.676 15.923 1.00 54.34 O ATOM 2660 OE2 GLU A 172 -10.624 -7.602 15.460 1.00 4.32 O ATOM 0 H GLU A 172 -10.887 -3.300 11.698 1.00 71.45 H new ATOM 0 HA GLU A 172 -10.059 -5.931 12.796 1.00 55.14 H new ATOM 0 HB2 GLU A 172 -10.862 -3.883 14.130 1.00 44.53 H new ATOM 0 HB3 GLU A 172 -12.443 -4.141 13.419 1.00 44.53 H new ATOM 0 HG2 GLU A 172 -12.389 -5.087 15.665 1.00 50.24 H new ATOM 0 HG3 GLU A 172 -12.584 -6.375 14.492 1.00 50.24 H new ATOM 2667 N THR A 173 -11.346 -6.494 10.414 1.00 41.23 N ATOM 2668 CA THR A 173 -12.084 -7.225 9.375 1.00 40.14 C ATOM 2669 C THR A 173 -11.058 -7.854 8.415 1.00 25.43 C ATOM 2670 O THR A 173 -9.892 -7.446 8.414 1.00 42.22 O ATOM 2671 CB THR A 173 -13.057 -6.291 8.582 1.00 5.24 C ATOM 2672 OG1 THR A 173 -13.755 -7.059 7.590 1.00 34.52 O ATOM 2673 CG2 THR A 173 -12.333 -5.102 7.907 1.00 4.53 C ATOM 0 H THR A 173 -10.392 -6.270 10.131 1.00 41.23 H new ATOM 0 HA THR A 173 -12.696 -7.993 9.849 1.00 40.14 H new ATOM 0 HB THR A 173 -13.758 -5.869 9.302 1.00 5.24 H new ATOM 0 HG1 THR A 173 -13.561 -6.698 6.700 1.00 34.52 H new ATOM 0 HG21 THR A 173 -13.059 -4.490 7.372 1.00 4.53 H new ATOM 0 HG22 THR A 173 -11.839 -4.497 8.668 1.00 4.53 H new ATOM 0 HG23 THR A 173 -11.590 -5.480 7.205 1.00 4.53 H new ATOM 2681 N ALA A 174 -11.475 -8.846 7.618 1.00 55.42 N ATOM 2682 CA ALA A 174 -10.567 -9.552 6.694 1.00 71.03 C ATOM 2683 C ALA A 174 -10.669 -8.972 5.274 1.00 14.35 C ATOM 2684 O ALA A 174 -11.776 -8.748 4.771 1.00 73.33 O ATOM 2685 CB ALA A 174 -10.877 -11.050 6.678 1.00 5.11 C ATOM 0 H ALA A 174 -12.438 -9.181 7.592 1.00 55.42 H new ATOM 0 HA ALA A 174 -9.546 -9.410 7.049 1.00 71.03 H new ATOM 0 HB1 ALA A 174 -10.198 -11.555 5.991 1.00 5.11 H new ATOM 0 HB2 ALA A 174 -10.749 -11.459 7.680 1.00 5.11 H new ATOM 0 HB3 ALA A 174 -11.905 -11.205 6.351 1.00 5.11 H new ATOM 2691 N VAL A 175 -9.504 -8.752 4.644 1.00 52.53 N ATOM 2692 CA VAL A 175 -9.395 -8.329 3.246 1.00 21.11 C ATOM 2693 C VAL A 175 -9.067 -9.568 2.397 1.00 1.12 C ATOM 2694 O VAL A 175 -7.901 -9.953 2.244 1.00 62.22 O ATOM 2695 CB VAL A 175 -8.307 -7.201 3.058 1.00 12.12 C ATOM 2696 CG1 VAL A 175 -8.131 -6.813 1.563 1.00 23.04 C ATOM 2697 CG2 VAL A 175 -8.660 -5.958 3.917 1.00 40.15 C ATOM 0 H VAL A 175 -8.600 -8.866 5.102 1.00 52.53 H new ATOM 0 HA VAL A 175 -10.341 -7.895 2.923 1.00 21.11 H new ATOM 0 HB VAL A 175 -7.353 -7.600 3.401 1.00 12.12 H new ATOM 0 HG11 VAL A 175 -7.374 -6.034 1.476 1.00 23.04 H new ATOM 0 HG12 VAL A 175 -7.818 -7.689 0.994 1.00 23.04 H new ATOM 0 HG13 VAL A 175 -9.078 -6.444 1.169 1.00 23.04 H new ATOM 0 HG21 VAL A 175 -7.900 -5.190 3.775 1.00 40.15 H new ATOM 0 HG22 VAL A 175 -9.631 -5.568 3.611 1.00 40.15 H new ATOM 0 HG23 VAL A 175 -8.698 -6.241 4.969 1.00 40.15 H new ATOM 2707 N THR A 176 -10.125 -10.234 1.918 1.00 1.45 N ATOM 2708 CA THR A 176 -10.015 -11.431 1.079 1.00 63.15 C ATOM 2709 C THR A 176 -10.108 -11.044 -0.407 1.00 73.45 C ATOM 2710 O THR A 176 -11.178 -10.652 -0.894 1.00 63.24 O ATOM 2711 CB THR A 176 -11.138 -12.449 1.465 1.00 3.12 C ATOM 2712 OG1 THR A 176 -12.423 -11.806 1.390 1.00 54.13 O ATOM 2713 CG2 THR A 176 -10.935 -13.004 2.890 1.00 50.05 C ATOM 0 H THR A 176 -11.088 -9.954 2.104 1.00 1.45 H new ATOM 0 HA THR A 176 -9.047 -11.904 1.245 1.00 63.15 H new ATOM 0 HB THR A 176 -11.089 -13.280 0.761 1.00 3.12 H new ATOM 0 HG1 THR A 176 -12.498 -11.322 0.541 1.00 54.13 H new ATOM 0 HG21 THR A 176 -11.734 -13.708 3.124 1.00 50.05 H new ATOM 0 HG22 THR A 176 -9.973 -13.514 2.948 1.00 50.05 H new ATOM 0 HG23 THR A 176 -10.954 -12.183 3.606 1.00 50.05 H new ATOM 2721 N ALA A 177 -8.978 -11.145 -1.113 1.00 24.22 N ATOM 2722 CA ALA A 177 -8.880 -10.800 -2.537 1.00 10.22 C ATOM 2723 C ALA A 177 -7.678 -11.505 -3.161 1.00 63.32 C ATOM 2724 O ALA A 177 -6.624 -11.601 -2.521 1.00 45.10 O ATOM 2725 CB ALA A 177 -8.758 -9.282 -2.716 1.00 20.11 C ATOM 0 H ALA A 177 -8.099 -11.470 -0.711 1.00 24.22 H new ATOM 0 HA ALA A 177 -9.787 -11.133 -3.041 1.00 10.22 H new ATOM 0 HB1 ALA A 177 -8.686 -9.045 -3.778 1.00 20.11 H new ATOM 0 HB2 ALA A 177 -9.637 -8.794 -2.294 1.00 20.11 H new ATOM 0 HB3 ALA A 177 -7.864 -8.926 -2.204 1.00 20.11 H new ATOM 2731 N GLY A 178 -7.846 -11.969 -4.414 1.00 51.31 N ATOM 2732 CA GLY A 178 -6.778 -12.638 -5.152 1.00 23.12 C ATOM 2733 C GLY A 178 -6.087 -13.765 -4.392 1.00 33.24 C ATOM 2734 O GLY A 178 -6.727 -14.503 -3.630 1.00 53.41 O ATOM 0 H GLY A 178 -8.721 -11.888 -4.932 1.00 51.31 H new ATOM 0 HA2 GLY A 178 -7.191 -13.042 -6.076 1.00 23.12 H new ATOM 0 HA3 GLY A 178 -6.030 -11.897 -5.434 1.00 23.12 H new ATOM 2738 N GLU A 179 -4.776 -13.907 -4.632 1.00 45.23 N ATOM 2739 CA GLU A 179 -3.927 -14.838 -3.894 1.00 4.32 C ATOM 2740 C GLU A 179 -3.648 -14.288 -2.476 1.00 63.51 C ATOM 2741 O GLU A 179 -3.455 -13.076 -2.294 1.00 11.45 O ATOM 2742 CB GLU A 179 -2.607 -15.094 -4.670 1.00 3.10 C ATOM 2743 CG GLU A 179 -1.691 -16.182 -4.047 1.00 70.33 C ATOM 2744 CD GLU A 179 -2.437 -17.504 -3.774 1.00 13.22 C ATOM 2745 OE1 GLU A 179 -2.801 -18.204 -4.748 1.00 40.34 O ATOM 2746 OE2 GLU A 179 -2.679 -17.846 -2.592 1.00 15.42 O ATOM 0 H GLU A 179 -4.278 -13.376 -5.346 1.00 45.23 H new ATOM 0 HA GLU A 179 -4.444 -15.792 -3.792 1.00 4.32 H new ATOM 0 HB2 GLU A 179 -2.852 -15.385 -5.691 1.00 3.10 H new ATOM 0 HB3 GLU A 179 -2.049 -14.159 -4.730 1.00 3.10 H new ATOM 0 HG2 GLU A 179 -0.854 -16.374 -4.718 1.00 70.33 H new ATOM 0 HG3 GLU A 179 -1.272 -15.807 -3.113 1.00 70.33 H new ATOM 2753 N ARG A 180 -3.640 -15.204 -1.493 1.00 51.45 N ATOM 2754 CA ARG A 180 -3.420 -14.893 -0.071 1.00 62.51 C ATOM 2755 C ARG A 180 -1.899 -14.879 0.255 1.00 51.04 C ATOM 2756 O ARG A 180 -1.055 -14.797 -0.648 1.00 11.21 O ATOM 2757 CB ARG A 180 -4.174 -15.955 0.801 1.00 24.31 C ATOM 2758 CG ARG A 180 -3.574 -17.385 0.741 1.00 0.43 C ATOM 2759 CD ARG A 180 -4.220 -18.360 1.743 1.00 22.34 C ATOM 2760 NE ARG A 180 -3.543 -19.669 1.754 1.00 32.53 N ATOM 2761 CZ ARG A 180 -3.998 -20.782 2.353 1.00 21.12 C ATOM 2762 NH1 ARG A 180 -5.155 -20.786 3.012 1.00 34.52 N ATOM 2763 NH2 ARG A 180 -3.286 -21.897 2.294 1.00 34.34 N ATOM 0 H ARG A 180 -3.789 -16.198 -1.667 1.00 51.45 H new ATOM 0 HA ARG A 180 -3.812 -13.901 0.155 1.00 62.51 H new ATOM 0 HB2 ARG A 180 -4.175 -15.619 1.838 1.00 24.31 H new ATOM 0 HB3 ARG A 180 -5.214 -15.998 0.478 1.00 24.31 H new ATOM 0 HG2 ARG A 180 -3.694 -17.780 -0.268 1.00 0.43 H new ATOM 0 HG3 ARG A 180 -2.503 -17.331 0.937 1.00 0.43 H new ATOM 0 HD2 ARG A 180 -4.188 -17.927 2.743 1.00 22.34 H new ATOM 0 HD3 ARG A 180 -5.271 -18.497 1.489 1.00 22.34 H new ATOM 0 HE ARG A 180 -2.651 -19.736 1.264 1.00 32.53 H new ATOM 0 HH11 ARG A 180 -5.713 -19.934 3.068 1.00 34.52 H new ATOM 0 HH12 ARG A 180 -5.484 -21.641 3.460 1.00 34.52 H new ATOM 0 HH21 ARG A 180 -2.396 -21.908 1.795 1.00 34.34 H new ATOM 0 HH22 ARG A 180 -3.627 -22.745 2.747 1.00 34.34 H new