USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 914 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 81 HIS : no HE2:sc= -1.2! C(o=-4.2!,f=-8.9!) USER MOD Set 1.2: A 93 HIS : no HE2:sc= -3.03! C(o=-4.2!,f=-12!) USER MOD Set 2.1: A 84 SER OG : rot 1:sc= 1.12 USER MOD Set 2.2: A 85 THR OG1 : rot -49:sc= -1.19! USER MOD Set 3.1: A 68 CYS SG : rot 180:sc= -0.163 USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= -0.269 USER MOD Set 4.1: A 17 MET CE :methyl -118:sc= -8.04! (180deg=-12.3!) USER MOD Set 4.2: A 49 SER OG : rot -72:sc= -0.0381 USER MOD Set 4.3: A 64 HIS : no HD1:sc= -4.08! C(o=-12!,f=-25!) USER MOD Set 5.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 21 GLN : amide:sc= -0.146 K(o=-1.9,f=-4.3) USER MOD Set 5.3: A 24 GLN : amide:sc= -1.8! C(o=-1.9!,f=-4.2!) USER MOD Set 5.4: A 111 GLN : amide:sc= 0.0744 K(o=-1.9,f=-3.8!) USER MOD Set 6.1: A 15 LYS NZ :NH3+ -156:sc= -0.742 (180deg=-0.28) USER MOD Set 6.2: A 16 HIS : no HD1:sc= -2.24 K(o=-3,f=-3.8!) USER MOD Single : A 1 THR N :NH3+ -144:sc= 0.409 (180deg=0.0436) USER MOD Single : A 1 THR OG1 : rot 48:sc= 0.237 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -102:sc= -6.24! (180deg=-6.85!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.619 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0.274 (180deg=-0.372) USER MOD Single : A 28 GLN : amide:sc= -0.308 K(o=-0.31,f=-1.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -150:sc= 0.473 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 0.168 (180deg=0.0381) USER MOD Single : A 46 TYR OH : rot -145:sc= 1.23 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 53 LYS NZ :NH3+ -100:sc= -0.0315 (180deg=-0.338) USER MOD Single : A 54 SER OG : rot 57:sc= 0.508 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 89:sc= -3.9! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.58! USER MOD Single : A 72 GLN : amide:sc= -0.395 K(o=-0.4,f=-1.6) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -5.89! C(o=-5.9!,f=-10!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.634 X(o=-0.63,f=-0.76) USER MOD Single : A 95 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-4.1!) USER MOD Single : A 96 ASN : amide:sc= -0.142 K(o=-0.14,f=-0.75) USER MOD Single : A 97 SER OG : rot -17:sc= 0.278 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 14:sc= -0.0569 USER MOD Single : A 109 SER OG : rot 112:sc= -1.22! USER MOD Single : A 110 GLN : amide:sc=-0.00461 X(o=-0.0046,f=0) USER MOD Single : A 112 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.9!) USER MOD Single : A 113 LYS NZ :NH3+ 144:sc= 0.347 (180deg=-2.19) USER MOD Single : A 114 ASN :FLIP amide:sc= -0.0962 F(o=-1.8,f=-0.096) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0383 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 20.646 -9.103 -10.383 1.00 0.00 N ATOM 2 CA THR A 1 20.456 -7.623 -10.400 1.00 0.00 C ATOM 3 C THR A 1 19.046 -7.278 -10.889 1.00 0.00 C ATOM 4 O THR A 1 18.688 -7.548 -12.018 1.00 0.00 O ATOM 5 CB THR A 1 21.509 -7.094 -11.378 1.00 0.00 C ATOM 6 OG1 THR A 1 21.639 -7.996 -12.469 1.00 0.00 O ATOM 7 CG2 THR A 1 22.853 -6.956 -10.660 1.00 0.00 C ATOM 0 H1 THR A 1 21.238 -9.368 -9.570 1.00 0.00 H new ATOM 0 H2 THR A 1 19.721 -9.571 -10.304 1.00 0.00 H new ATOM 0 H3 THR A 1 21.112 -9.403 -11.263 1.00 0.00 H new ATOM 0 HA THR A 1 20.567 -7.182 -9.409 1.00 0.00 H new ATOM 0 HB THR A 1 21.199 -6.118 -11.751 1.00 0.00 H new ATOM 0 HG1 THR A 1 20.750 -8.232 -12.806 1.00 0.00 H new ATOM 0 HG21 THR A 1 23.601 -6.579 -11.358 1.00 0.00 H new ATOM 0 HG22 THR A 1 22.751 -6.260 -9.827 1.00 0.00 H new ATOM 0 HG23 THR A 1 23.166 -7.930 -10.283 1.00 0.00 H new ATOM 15 N GLU A 2 18.246 -6.682 -10.046 1.00 0.00 N ATOM 16 CA GLU A 2 16.859 -6.318 -10.459 1.00 0.00 C ATOM 17 C GLU A 2 16.579 -4.847 -10.141 1.00 0.00 C ATOM 18 O GLU A 2 17.243 -4.243 -9.321 1.00 0.00 O ATOM 19 CB GLU A 2 15.947 -7.228 -9.635 1.00 0.00 C ATOM 20 CG GLU A 2 15.626 -8.492 -10.436 1.00 0.00 C ATOM 21 CD GLU A 2 14.174 -8.902 -10.184 1.00 0.00 C ATOM 22 OE1 GLU A 2 13.901 -9.411 -9.108 1.00 0.00 O ATOM 23 OE2 GLU A 2 13.359 -8.702 -11.070 1.00 0.00 O ATOM 0 H GLU A 2 18.493 -6.431 -9.089 1.00 0.00 H new ATOM 0 HA GLU A 2 16.702 -6.446 -11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.433 -7.494 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.026 -6.703 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.785 -8.311 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.298 -9.299 -10.146 1.00 0.00 H new ATOM 30 N ALA A 3 15.599 -4.269 -10.783 1.00 0.00 N ATOM 31 CA ALA A 3 15.271 -2.838 -10.519 1.00 0.00 C ATOM 32 C ALA A 3 13.912 -2.488 -11.126 1.00 0.00 C ATOM 33 O ALA A 3 13.203 -3.342 -11.621 1.00 0.00 O ATOM 34 CB ALA A 3 16.388 -2.041 -11.197 1.00 0.00 C ATOM 0 H ALA A 3 15.011 -4.727 -11.480 1.00 0.00 H new ATOM 0 HA ALA A 3 15.207 -2.618 -9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.217 -0.975 -11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.348 -2.319 -10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 3 16.395 -2.261 -12.265 1.00 0.00 H new ATOM 40 N GLU A 4 13.543 -1.237 -11.083 1.00 0.00 N ATOM 41 CA GLU A 4 12.224 -0.823 -11.648 1.00 0.00 C ATOM 42 C GLU A 4 12.107 0.702 -11.647 1.00 0.00 C ATOM 43 O GLU A 4 11.256 1.268 -10.988 1.00 0.00 O ATOM 44 CB GLU A 4 11.184 -1.437 -10.707 1.00 0.00 C ATOM 45 CG GLU A 4 11.465 -0.985 -9.268 1.00 0.00 C ATOM 46 CD GLU A 4 10.269 -0.193 -8.734 1.00 0.00 C ATOM 47 OE1 GLU A 4 9.160 -0.693 -8.835 1.00 0.00 O ATOM 48 OE2 GLU A 4 10.483 0.898 -8.234 1.00 0.00 O ATOM 0 H GLU A 4 14.098 -0.481 -10.681 1.00 0.00 H new ATOM 0 HA GLU A 4 12.092 -1.154 -12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.182 -1.131 -11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.218 -2.525 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.652 -1.852 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.364 -0.369 -9.239 1.00 0.00 H new ATOM 55 N ASP A 5 12.958 1.374 -12.374 1.00 0.00 N ATOM 56 CA ASP A 5 12.894 2.863 -12.405 1.00 0.00 C ATOM 57 C ASP A 5 12.016 3.337 -13.568 1.00 0.00 C ATOM 58 O ASP A 5 12.367 4.249 -14.290 1.00 0.00 O ATOM 59 CB ASP A 5 14.342 3.322 -12.599 1.00 0.00 C ATOM 60 CG ASP A 5 14.890 2.771 -13.918 1.00 0.00 C ATOM 61 OD1 ASP A 5 15.071 1.568 -14.005 1.00 0.00 O ATOM 62 OD2 ASP A 5 15.117 3.562 -14.819 1.00 0.00 O ATOM 0 H ASP A 5 13.693 0.958 -12.946 1.00 0.00 H new ATOM 0 HA ASP A 5 12.457 3.273 -11.495 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.390 4.411 -12.601 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.957 2.977 -11.767 1.00 0.00 H new ATOM 67 N SER A 6 10.876 2.725 -13.753 1.00 0.00 N ATOM 68 CA SER A 6 9.976 3.141 -14.867 1.00 0.00 C ATOM 69 C SER A 6 8.990 4.207 -14.379 1.00 0.00 C ATOM 70 O SER A 6 9.076 4.681 -13.265 1.00 0.00 O ATOM 71 CB SER A 6 9.233 1.869 -15.273 1.00 0.00 C ATOM 72 OG SER A 6 10.165 0.805 -15.407 1.00 0.00 O ATOM 0 H SER A 6 10.530 1.955 -13.180 1.00 0.00 H new ATOM 0 HA SER A 6 10.526 3.575 -15.702 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.482 1.618 -14.524 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.705 2.027 -16.214 1.00 0.00 H new ATOM 0 HG SER A 6 9.692 -0.013 -15.666 1.00 0.00 H new ATOM 78 N ILE A 7 8.053 4.584 -15.208 1.00 0.00 N ATOM 79 CA ILE A 7 7.060 5.618 -14.794 1.00 0.00 C ATOM 80 C ILE A 7 5.697 4.969 -14.539 1.00 0.00 C ATOM 81 O ILE A 7 5.210 4.954 -13.428 1.00 0.00 O ATOM 82 CB ILE A 7 6.984 6.590 -15.973 1.00 0.00 C ATOM 83 CG1 ILE A 7 8.360 7.220 -16.202 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.967 7.692 -15.665 1.00 0.00 C ATOM 85 CD1 ILE A 7 8.328 8.070 -17.474 1.00 0.00 C ATOM 0 H ILE A 7 7.932 4.221 -16.153 1.00 0.00 H new ATOM 0 HA ILE A 7 7.347 6.122 -13.871 1.00 0.00 H new ATOM 0 HB ILE A 7 6.675 6.050 -16.868 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.636 7.837 -15.347 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.118 6.442 -16.291 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.914 8.384 -16.506 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.986 7.246 -15.500 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.276 8.232 -14.770 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.308 8.518 -17.637 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.071 7.440 -18.326 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.582 8.857 -17.367 1.00 0.00 H new ATOM 97 N GLU A 8 5.084 4.433 -15.564 1.00 0.00 N ATOM 98 CA GLU A 8 3.747 3.776 -15.405 1.00 0.00 C ATOM 99 C GLU A 8 2.718 4.766 -14.845 1.00 0.00 C ATOM 100 O GLU A 8 1.905 5.301 -15.574 1.00 0.00 O ATOM 101 CB GLU A 8 3.976 2.611 -14.436 1.00 0.00 C ATOM 102 CG GLU A 8 5.009 1.654 -15.032 1.00 0.00 C ATOM 103 CD GLU A 8 4.859 0.273 -14.391 1.00 0.00 C ATOM 104 OE1 GLU A 8 4.776 0.212 -13.175 1.00 0.00 O ATOM 105 OE2 GLU A 8 4.830 -0.700 -15.126 1.00 0.00 O ATOM 0 H GLU A 8 5.455 4.422 -16.514 1.00 0.00 H new ATOM 0 HA GLU A 8 3.350 3.429 -16.359 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.324 2.986 -13.474 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.039 2.085 -14.253 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.873 1.582 -16.111 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.015 2.037 -14.863 1.00 0.00 H new ATOM 112 N MET A 9 2.741 5.017 -13.560 1.00 0.00 N ATOM 113 CA MET A 9 1.763 5.974 -12.957 1.00 0.00 C ATOM 114 C MET A 9 0.328 5.599 -13.345 1.00 0.00 C ATOM 115 O MET A 9 -0.544 6.443 -13.410 1.00 0.00 O ATOM 116 CB MET A 9 2.134 7.342 -13.531 1.00 0.00 C ATOM 117 CG MET A 9 3.529 7.742 -13.047 1.00 0.00 C ATOM 118 SD MET A 9 3.492 8.023 -11.259 1.00 0.00 S ATOM 119 CE MET A 9 4.020 6.365 -10.761 1.00 0.00 C ATOM 0 H MET A 9 3.397 4.599 -12.900 1.00 0.00 H new ATOM 0 HA MET A 9 1.805 5.963 -11.868 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.112 7.308 -14.620 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.403 8.088 -13.220 1.00 0.00 H new ATOM 0 HG2 MET A 9 4.247 6.958 -13.288 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.858 8.645 -13.561 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.154 5.792 -10.429 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.485 5.861 -11.608 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.739 6.442 -9.945 1.00 0.00 H new ATOM 129 N TYR A 10 0.073 4.339 -13.594 1.00 0.00 N ATOM 130 CA TYR A 10 -1.310 3.916 -13.968 1.00 0.00 C ATOM 131 C TYR A 10 -2.308 4.404 -12.912 1.00 0.00 C ATOM 132 O TYR A 10 -2.977 5.402 -13.093 1.00 0.00 O ATOM 133 CB TYR A 10 -1.264 2.386 -14.006 1.00 0.00 C ATOM 134 CG TYR A 10 -0.836 1.925 -15.378 1.00 0.00 C ATOM 135 CD1 TYR A 10 0.338 2.429 -15.952 1.00 0.00 C ATOM 136 CD2 TYR A 10 -1.611 0.994 -16.077 1.00 0.00 C ATOM 137 CE1 TYR A 10 0.736 2.001 -17.223 1.00 0.00 C ATOM 138 CE2 TYR A 10 -1.214 0.565 -17.349 1.00 0.00 C ATOM 139 CZ TYR A 10 -0.040 1.069 -17.922 1.00 0.00 C ATOM 140 OH TYR A 10 0.351 0.646 -19.176 1.00 0.00 O ATOM 0 H TYR A 10 0.761 3.587 -13.554 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.629 4.332 -14.924 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.569 2.014 -13.253 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.245 1.977 -13.764 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.936 3.149 -15.413 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.517 0.606 -15.635 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.642 2.390 -17.665 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.813 -0.154 -17.888 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.299 -0.002 -19.520 1.00 0.00 H new ATOM 150 N GLU A 11 -2.402 3.716 -11.804 1.00 0.00 N ATOM 151 CA GLU A 11 -3.344 4.151 -10.733 1.00 0.00 C ATOM 152 C GLU A 11 -2.806 3.756 -9.363 1.00 0.00 C ATOM 153 O GLU A 11 -2.579 4.589 -8.506 1.00 0.00 O ATOM 154 CB GLU A 11 -4.654 3.408 -11.001 1.00 0.00 C ATOM 155 CG GLU A 11 -5.820 4.378 -10.847 1.00 0.00 C ATOM 156 CD GLU A 11 -6.093 5.074 -12.182 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.317 4.374 -13.157 1.00 0.00 O ATOM 158 OE2 GLU A 11 -6.072 6.293 -12.208 1.00 0.00 O ATOM 0 H GLU A 11 -1.867 2.873 -11.596 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.478 5.233 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.647 2.985 -12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.763 2.576 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.710 3.842 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.591 5.118 -10.080 1.00 0.00 H new ATOM 165 N TRP A 12 -2.629 2.484 -9.144 1.00 0.00 N ATOM 166 CA TRP A 12 -2.139 2.016 -7.823 1.00 0.00 C ATOM 167 C TRP A 12 -0.758 2.602 -7.498 1.00 0.00 C ATOM 168 O TRP A 12 -0.476 2.951 -6.370 1.00 0.00 O ATOM 169 CB TRP A 12 -2.055 0.491 -7.943 1.00 0.00 C ATOM 170 CG TRP A 12 -1.072 0.115 -9.010 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.370 -0.050 -10.320 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.356 -0.148 -8.881 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.218 -0.396 -11.002 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.872 -0.469 -10.158 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.244 -0.138 -7.790 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.221 -0.771 -10.347 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.603 -0.441 -7.977 1.00 0.00 C ATOM 178 CH2 TRP A 12 3.090 -0.757 -9.252 1.00 0.00 C ATOM 0 H TRP A 12 -2.804 1.747 -9.827 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.803 2.333 -7.019 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.752 0.059 -6.989 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.037 0.082 -8.181 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.349 0.069 -10.761 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.178 -0.575 -12.005 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.879 0.104 -6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.591 -1.014 -11.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.276 -0.430 -7.133 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.136 -0.990 -9.389 1.00 0.00 H new ATOM 189 N TYR A 13 0.112 2.690 -8.468 1.00 0.00 N ATOM 190 CA TYR A 13 1.480 3.226 -8.193 1.00 0.00 C ATOM 191 C TYR A 13 1.504 4.757 -8.237 1.00 0.00 C ATOM 192 O TYR A 13 1.002 5.373 -9.156 1.00 0.00 O ATOM 193 CB TYR A 13 2.363 2.650 -9.300 1.00 0.00 C ATOM 194 CG TYR A 13 3.814 2.925 -8.978 1.00 0.00 C ATOM 195 CD1 TYR A 13 4.341 2.545 -7.738 1.00 0.00 C ATOM 196 CD2 TYR A 13 4.632 3.562 -9.919 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.684 2.800 -7.438 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.976 3.818 -9.619 1.00 0.00 C ATOM 199 CZ TYR A 13 6.502 3.438 -8.379 1.00 0.00 C ATOM 200 OH TYR A 13 7.827 3.689 -8.084 1.00 0.00 O ATOM 0 H TYR A 13 -0.062 2.416 -9.435 1.00 0.00 H new ATOM 0 HA TYR A 13 1.822 2.945 -7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.196 1.577 -9.392 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.101 3.097 -10.259 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.710 2.054 -7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.227 3.856 -10.876 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.089 2.505 -6.481 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.607 4.309 -10.345 1.00 0.00 H new ATOM 0 HH TYR A 13 8.253 4.136 -8.845 1.00 0.00 H new ATOM 210 N SER A 14 2.105 5.368 -7.250 1.00 0.00 N ATOM 211 CA SER A 14 2.198 6.858 -7.219 1.00 0.00 C ATOM 212 C SER A 14 3.393 7.280 -6.366 1.00 0.00 C ATOM 213 O SER A 14 3.465 6.989 -5.191 1.00 0.00 O ATOM 214 CB SER A 14 0.906 7.353 -6.584 1.00 0.00 C ATOM 215 OG SER A 14 -0.152 6.451 -6.881 1.00 0.00 O ATOM 0 H SER A 14 2.539 4.895 -6.457 1.00 0.00 H new ATOM 0 HA SER A 14 2.333 7.273 -8.218 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.030 7.440 -5.505 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.664 8.348 -6.958 1.00 0.00 H new ATOM 0 HG SER A 14 -0.981 6.772 -6.469 1.00 0.00 H new ATOM 221 N LYS A 15 4.330 7.957 -6.954 1.00 0.00 N ATOM 222 CA LYS A 15 5.541 8.393 -6.194 1.00 0.00 C ATOM 223 C LYS A 15 5.248 9.616 -5.308 1.00 0.00 C ATOM 224 O LYS A 15 6.013 10.559 -5.267 1.00 0.00 O ATOM 225 CB LYS A 15 6.597 8.703 -7.277 1.00 0.00 C ATOM 226 CG LYS A 15 6.418 10.116 -7.864 1.00 0.00 C ATOM 227 CD LYS A 15 4.961 10.339 -8.267 1.00 0.00 C ATOM 228 CE LYS A 15 4.803 11.735 -8.879 1.00 0.00 C ATOM 229 NZ LYS A 15 3.650 12.346 -8.159 1.00 0.00 N ATOM 0 H LYS A 15 4.315 8.233 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 15 5.887 7.625 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.595 8.611 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.525 7.966 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.718 10.864 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.066 10.242 -8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.652 9.579 -8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.313 10.237 -7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.708 12.328 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.612 11.676 -9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.223 13.086 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.940 11.614 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.981 12.765 -7.267 1.00 0.00 H new ATOM 243 N HIS A 16 4.157 9.601 -4.579 1.00 0.00 N ATOM 244 CA HIS A 16 3.833 10.765 -3.694 1.00 0.00 C ATOM 245 C HIS A 16 2.517 10.553 -2.925 1.00 0.00 C ATOM 246 O HIS A 16 1.906 11.503 -2.475 1.00 0.00 O ATOM 247 CB HIS A 16 3.703 11.971 -4.637 1.00 0.00 C ATOM 248 CG HIS A 16 2.404 11.904 -5.402 1.00 0.00 C ATOM 249 ND1 HIS A 16 1.798 10.703 -5.742 1.00 0.00 N ATOM 250 CD2 HIS A 16 1.585 12.888 -5.899 1.00 0.00 C ATOM 251 CE1 HIS A 16 0.669 10.993 -6.412 1.00 0.00 C ATOM 252 NE2 HIS A 16 0.491 12.311 -6.536 1.00 0.00 N ATOM 0 H HIS A 16 3.481 8.838 -4.558 1.00 0.00 H new ATOM 0 HA HIS A 16 4.607 10.904 -2.940 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.746 12.896 -4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.542 11.988 -5.333 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.763 13.949 -5.809 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.011 10.251 -6.802 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.281 12.791 -6.998 1.00 0.00 H new ATOM 260 N MET A 17 2.069 9.336 -2.767 1.00 0.00 N ATOM 261 CA MET A 17 0.793 9.113 -2.024 1.00 0.00 C ATOM 262 C MET A 17 1.062 9.052 -0.517 1.00 0.00 C ATOM 263 O MET A 17 2.108 8.613 -0.081 1.00 0.00 O ATOM 264 CB MET A 17 0.258 7.776 -2.530 1.00 0.00 C ATOM 265 CG MET A 17 -1.208 7.627 -2.119 1.00 0.00 C ATOM 266 SD MET A 17 -1.642 5.871 -2.047 1.00 0.00 S ATOM 267 CE MET A 17 -0.452 5.394 -0.770 1.00 0.00 C ATOM 0 H MET A 17 2.526 8.493 -3.116 1.00 0.00 H new ATOM 0 HA MET A 17 0.078 9.919 -2.187 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.350 7.722 -3.615 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.848 6.957 -2.119 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.373 8.093 -1.148 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.851 8.142 -2.833 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.247 4.664 -1.178 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.097 6.275 -0.437 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.982 4.955 0.076 1.00 0.00 H new ATOM 277 N THR A 18 0.125 9.494 0.279 1.00 0.00 N ATOM 278 CA THR A 18 0.324 9.468 1.758 1.00 0.00 C ATOM 279 C THR A 18 -0.493 8.337 2.390 1.00 0.00 C ATOM 280 O THR A 18 -1.537 7.960 1.896 1.00 0.00 O ATOM 281 CB THR A 18 -0.178 10.825 2.248 1.00 0.00 C ATOM 282 OG1 THR A 18 0.330 11.849 1.404 1.00 0.00 O ATOM 283 CG2 THR A 18 0.300 11.055 3.680 1.00 0.00 C ATOM 0 H THR A 18 -0.770 9.872 -0.031 1.00 0.00 H new ATOM 0 HA THR A 18 1.366 9.293 2.027 1.00 0.00 H new ATOM 0 HB THR A 18 -1.268 10.844 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.007 12.720 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.057 12.023 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.091 10.268 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.390 11.039 3.707 1.00 0.00 H new ATOM 291 N ARG A 19 -0.024 7.799 3.485 1.00 0.00 N ATOM 292 CA ARG A 19 -0.769 6.693 4.163 1.00 0.00 C ATOM 293 C ARG A 19 -2.205 7.129 4.464 1.00 0.00 C ATOM 294 O ARG A 19 -3.153 6.387 4.276 1.00 0.00 O ATOM 295 CB ARG A 19 -0.002 6.439 5.469 1.00 0.00 C ATOM 296 CG ARG A 19 -0.148 7.643 6.414 1.00 0.00 C ATOM 297 CD ARG A 19 0.818 7.490 7.591 1.00 0.00 C ATOM 298 NE ARG A 19 0.034 6.781 8.641 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.848 7.432 9.348 1.00 0.00 C ATOM 300 NH1 ARG A 19 -0.480 8.456 10.069 1.00 0.00 N ATOM 301 NH2 ARG A 19 -2.099 7.059 9.335 1.00 0.00 N ATOM 0 H ARG A 19 0.845 8.077 3.941 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.831 5.798 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.382 5.539 5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.052 6.263 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.061 8.568 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.173 7.711 6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.702 6.920 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.166 8.460 7.945 1.00 0.00 H new ATOM 0 HE ARG A 19 0.187 5.786 8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.497 8.747 10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.170 8.965 10.622 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.387 6.259 8.772 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.789 7.568 9.888 1.00 0.00 H new ATOM 315 N SER A 20 -2.360 8.334 4.931 1.00 0.00 N ATOM 316 CA SER A 20 -3.710 8.849 5.262 1.00 0.00 C ATOM 317 C SER A 20 -4.476 9.133 3.970 1.00 0.00 C ATOM 318 O SER A 20 -5.644 8.818 3.849 1.00 0.00 O ATOM 319 CB SER A 20 -3.435 10.122 6.063 1.00 0.00 C ATOM 320 OG SER A 20 -4.253 11.184 5.586 1.00 0.00 O ATOM 0 H SER A 20 -1.597 8.990 5.099 1.00 0.00 H new ATOM 0 HA SER A 20 -4.324 8.150 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.633 9.946 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.383 10.395 5.977 1.00 0.00 H new ATOM 0 HG SER A 20 -4.072 11.995 6.105 1.00 0.00 H new ATOM 326 N GLN A 21 -3.819 9.699 2.994 1.00 0.00 N ATOM 327 CA GLN A 21 -4.501 9.970 1.702 1.00 0.00 C ATOM 328 C GLN A 21 -4.952 8.648 1.094 1.00 0.00 C ATOM 329 O GLN A 21 -6.070 8.517 0.640 1.00 0.00 O ATOM 330 CB GLN A 21 -3.452 10.646 0.821 1.00 0.00 C ATOM 331 CG GLN A 21 -3.235 12.079 1.305 1.00 0.00 C ATOM 332 CD GLN A 21 -4.509 12.895 1.078 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.268 12.619 0.170 1.00 0.00 O ATOM 334 NE2 GLN A 21 -4.778 13.895 1.873 1.00 0.00 N ATOM 0 H GLN A 21 -2.841 9.984 3.038 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.383 10.601 1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.515 10.091 0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.779 10.647 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.974 12.081 2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.401 12.532 0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.141 14.126 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.625 14.445 1.732 1.00 0.00 H new ATOM 343 N ALA A 22 -4.098 7.657 1.101 1.00 0.00 N ATOM 344 CA ALA A 22 -4.497 6.337 0.542 1.00 0.00 C ATOM 345 C ALA A 22 -5.720 5.830 1.295 1.00 0.00 C ATOM 346 O ALA A 22 -6.674 5.379 0.705 1.00 0.00 O ATOM 347 CB ALA A 22 -3.298 5.408 0.761 1.00 0.00 C ATOM 0 H ALA A 22 -3.148 7.707 1.468 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.755 6.391 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.529 4.417 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.427 5.809 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.083 5.336 1.827 1.00 0.00 H new ATOM 353 N GLU A 23 -5.703 5.924 2.598 1.00 0.00 N ATOM 354 CA GLU A 23 -6.877 5.464 3.396 1.00 0.00 C ATOM 355 C GLU A 23 -8.151 6.160 2.917 1.00 0.00 C ATOM 356 O GLU A 23 -9.126 5.518 2.574 1.00 0.00 O ATOM 357 CB GLU A 23 -6.573 5.873 4.839 1.00 0.00 C ATOM 358 CG GLU A 23 -5.640 4.849 5.484 1.00 0.00 C ATOM 359 CD GLU A 23 -5.863 4.834 6.999 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.973 5.115 7.419 1.00 0.00 O ATOM 361 OE2 GLU A 23 -4.917 4.542 7.713 1.00 0.00 O ATOM 0 H GLU A 23 -4.927 6.299 3.144 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.035 4.390 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.112 6.860 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.499 5.944 5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.828 3.859 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.602 5.097 5.261 1.00 0.00 H new ATOM 368 N GLN A 24 -8.161 7.467 2.907 1.00 0.00 N ATOM 369 CA GLN A 24 -9.386 8.187 2.467 1.00 0.00 C ATOM 370 C GLN A 24 -9.697 7.892 0.999 1.00 0.00 C ATOM 371 O GLN A 24 -10.818 7.563 0.669 1.00 0.00 O ATOM 372 CB GLN A 24 -9.118 9.681 2.697 1.00 0.00 C ATOM 373 CG GLN A 24 -7.865 10.129 1.944 1.00 0.00 C ATOM 374 CD GLN A 24 -7.574 11.595 2.273 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.100 12.488 1.638 1.00 0.00 O ATOM 376 NE2 GLN A 24 -6.755 11.883 3.246 1.00 0.00 N ATOM 0 H GLN A 24 -7.379 8.061 3.183 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.259 7.861 3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.976 10.265 2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.996 9.873 3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.016 9.506 2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.009 10.007 0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.313 11.134 3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.556 12.857 3.474 1.00 0.00 H new ATOM 385 N LEU A 25 -8.741 7.989 0.106 1.00 0.00 N ATOM 386 CA LEU A 25 -9.078 7.684 -1.312 1.00 0.00 C ATOM 387 C LEU A 25 -9.373 6.191 -1.453 1.00 0.00 C ATOM 388 O LEU A 25 -10.097 5.781 -2.339 1.00 0.00 O ATOM 389 CB LEU A 25 -7.883 8.125 -2.164 1.00 0.00 C ATOM 390 CG LEU A 25 -6.625 7.353 -1.762 1.00 0.00 C ATOM 391 CD1 LEU A 25 -6.514 6.086 -2.612 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.391 8.237 -1.994 1.00 0.00 C ATOM 0 H LEU A 25 -7.775 8.257 0.292 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.970 8.215 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.099 7.956 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.715 9.195 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.683 7.079 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.618 5.534 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.392 5.461 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.453 6.359 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.493 7.690 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.331 8.509 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.472 9.141 -1.390 1.00 0.00 H new ATOM 404 N LEU A 26 -8.869 5.374 -0.560 1.00 0.00 N ATOM 405 CA LEU A 26 -9.195 3.924 -0.639 1.00 0.00 C ATOM 406 C LEU A 26 -10.639 3.758 -0.178 1.00 0.00 C ATOM 407 O LEU A 26 -11.498 3.333 -0.926 1.00 0.00 O ATOM 408 CB LEU A 26 -8.238 3.216 0.323 1.00 0.00 C ATOM 409 CG LEU A 26 -7.026 2.679 -0.448 1.00 0.00 C ATOM 410 CD1 LEU A 26 -5.985 2.141 0.538 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.471 1.545 -1.379 1.00 0.00 C ATOM 0 H LEU A 26 -8.255 5.647 0.208 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.090 3.513 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.909 3.908 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.753 2.397 0.825 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.589 3.486 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.125 1.760 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.664 2.943 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.424 1.336 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.609 1.164 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.910 0.741 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.211 1.923 -2.085 1.00 0.00 H new ATOM 423 N LYS A 27 -10.920 4.132 1.047 1.00 0.00 N ATOM 424 CA LYS A 27 -12.317 4.042 1.555 1.00 0.00 C ATOM 425 C LYS A 27 -13.259 4.773 0.593 1.00 0.00 C ATOM 426 O LYS A 27 -14.363 4.339 0.330 1.00 0.00 O ATOM 427 CB LYS A 27 -12.282 4.757 2.905 1.00 0.00 C ATOM 428 CG LYS A 27 -13.158 4.006 3.909 1.00 0.00 C ATOM 429 CD LYS A 27 -14.519 4.694 4.006 1.00 0.00 C ATOM 430 CE LYS A 27 -15.586 3.662 4.377 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.534 3.572 5.862 1.00 0.00 N ATOM 0 H LYS A 27 -10.239 4.495 1.714 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.671 3.015 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.257 4.812 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.636 5.782 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.283 2.970 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.677 3.988 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.486 5.485 4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.769 5.166 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.573 3.974 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.379 2.697 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.012 2.703 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.542 3.553 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.012 4.398 6.277 1.00 0.00 H new ATOM 445 N GLN A 28 -12.818 5.887 0.073 1.00 0.00 N ATOM 446 CA GLN A 28 -13.668 6.673 -0.872 1.00 0.00 C ATOM 447 C GLN A 28 -14.025 5.850 -2.119 1.00 0.00 C ATOM 448 O GLN A 28 -15.180 5.753 -2.486 1.00 0.00 O ATOM 449 CB GLN A 28 -12.822 7.889 -1.256 1.00 0.00 C ATOM 450 CG GLN A 28 -13.652 8.838 -2.127 1.00 0.00 C ATOM 451 CD GLN A 28 -13.965 10.113 -1.341 1.00 0.00 C ATOM 452 OE1 GLN A 28 -13.165 10.561 -0.544 1.00 0.00 O ATOM 453 NE2 GLN A 28 -15.103 10.721 -1.534 1.00 0.00 N ATOM 0 H GLN A 28 -11.900 6.290 0.263 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.615 6.957 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.482 8.406 -0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.931 7.569 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.105 9.085 -3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.578 8.351 -2.433 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.775 10.345 -2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.321 11.572 -1.016 1.00 0.00 H new ATOM 462 N GLU A 29 -13.055 5.257 -2.781 1.00 0.00 N ATOM 463 CA GLU A 29 -13.387 4.455 -4.003 1.00 0.00 C ATOM 464 C GLU A 29 -14.362 3.345 -3.607 1.00 0.00 C ATOM 465 O GLU A 29 -15.324 3.073 -4.299 1.00 0.00 O ATOM 466 CB GLU A 29 -12.052 3.896 -4.533 1.00 0.00 C ATOM 467 CG GLU A 29 -12.021 3.952 -6.070 1.00 0.00 C ATOM 468 CD GLU A 29 -13.389 3.586 -6.653 1.00 0.00 C ATOM 469 OE1 GLU A 29 -13.952 2.600 -6.216 1.00 0.00 O ATOM 470 OE2 GLU A 29 -13.849 4.303 -7.528 1.00 0.00 O ATOM 0 H GLU A 29 -12.066 5.293 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.868 5.046 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.221 4.472 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.922 2.867 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.737 4.952 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.263 3.266 -6.449 1.00 0.00 H new ATOM 477 N GLY A 30 -14.157 2.745 -2.465 1.00 0.00 N ATOM 478 CA GLY A 30 -15.107 1.706 -1.991 1.00 0.00 C ATOM 479 C GLY A 30 -14.787 0.326 -2.582 1.00 0.00 C ATOM 480 O GLY A 30 -15.601 -0.576 -2.524 1.00 0.00 O ATOM 0 H GLY A 30 -13.371 2.932 -1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.073 1.652 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.123 1.991 -2.264 1.00 0.00 H new ATOM 484 N LYS A 31 -13.625 0.143 -3.144 1.00 0.00 N ATOM 485 CA LYS A 31 -13.283 -1.193 -3.728 1.00 0.00 C ATOM 486 C LYS A 31 -12.763 -2.141 -2.644 1.00 0.00 C ATOM 487 O LYS A 31 -11.772 -1.866 -1.998 1.00 0.00 O ATOM 488 CB LYS A 31 -12.180 -0.907 -4.747 1.00 0.00 C ATOM 489 CG LYS A 31 -12.647 0.166 -5.741 1.00 0.00 C ATOM 490 CD LYS A 31 -14.085 -0.112 -6.203 1.00 0.00 C ATOM 491 CE LYS A 31 -14.184 -1.522 -6.798 1.00 0.00 C ATOM 492 NZ LYS A 31 -15.640 -1.830 -6.809 1.00 0.00 N ATOM 0 H LYS A 31 -12.898 0.854 -3.226 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.152 -1.673 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.278 -0.572 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.921 -1.821 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.593 1.149 -5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.980 0.185 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.771 -0.015 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.386 0.627 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.765 -1.557 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.632 -2.244 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.791 -2.781 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.010 -1.795 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.139 -1.130 -7.394 1.00 0.00 H new ATOM 506 N GLU A 32 -13.413 -3.261 -2.440 1.00 0.00 N ATOM 507 CA GLU A 32 -12.923 -4.208 -1.395 1.00 0.00 C ATOM 508 C GLU A 32 -11.604 -4.839 -1.831 1.00 0.00 C ATOM 509 O GLU A 32 -11.578 -5.830 -2.536 1.00 0.00 O ATOM 510 CB GLU A 32 -13.995 -5.282 -1.229 1.00 0.00 C ATOM 511 CG GLU A 32 -14.356 -5.888 -2.589 1.00 0.00 C ATOM 512 CD GLU A 32 -14.002 -7.377 -2.598 1.00 0.00 C ATOM 513 OE1 GLU A 32 -14.183 -8.014 -1.574 1.00 0.00 O ATOM 514 OE2 GLU A 32 -13.554 -7.853 -3.628 1.00 0.00 O ATOM 0 H GLU A 32 -14.249 -3.556 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.745 -3.689 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.636 -6.063 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.884 -4.850 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.420 -5.756 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.817 -5.371 -3.383 1.00 0.00 H new ATOM 521 N GLY A 33 -10.510 -4.271 -1.414 1.00 0.00 N ATOM 522 CA GLY A 33 -9.189 -4.822 -1.787 1.00 0.00 C ATOM 523 C GLY A 33 -8.434 -3.818 -2.662 1.00 0.00 C ATOM 524 O GLY A 33 -7.557 -4.187 -3.412 1.00 0.00 O ATOM 0 H GLY A 33 -10.479 -3.439 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.611 -5.043 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.316 -5.762 -2.324 1.00 0.00 H new ATOM 528 N GLY A 34 -8.755 -2.549 -2.571 1.00 0.00 N ATOM 529 CA GLY A 34 -8.034 -1.543 -3.404 1.00 0.00 C ATOM 530 C GLY A 34 -6.535 -1.701 -3.181 1.00 0.00 C ATOM 531 O GLY A 34 -6.105 -2.126 -2.130 1.00 0.00 O ATOM 0 H GLY A 34 -9.480 -2.172 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.275 -1.684 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.351 -0.535 -3.136 1.00 0.00 H new ATOM 535 N PHE A 35 -5.741 -1.392 -4.169 1.00 0.00 N ATOM 536 CA PHE A 35 -4.269 -1.554 -4.015 1.00 0.00 C ATOM 537 C PHE A 35 -3.522 -0.335 -4.568 1.00 0.00 C ATOM 538 O PHE A 35 -3.687 0.035 -5.715 1.00 0.00 O ATOM 539 CB PHE A 35 -3.949 -2.801 -4.839 1.00 0.00 C ATOM 540 CG PHE A 35 -2.471 -3.087 -4.769 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.586 -2.378 -5.588 1.00 0.00 C ATOM 542 CD2 PHE A 35 -1.987 -4.063 -3.892 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.214 -2.646 -5.531 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.615 -4.332 -3.834 1.00 0.00 C ATOM 545 CZ PHE A 35 0.272 -3.624 -4.654 1.00 0.00 C ATOM 0 H PHE A 35 -6.048 -1.035 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.965 -1.646 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.513 -3.654 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.252 -2.652 -5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.962 -1.624 -6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.672 -4.609 -3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.470 -2.099 -6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.240 -5.085 -3.157 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.331 -3.832 -4.610 1.00 0.00 H new ATOM 555 N ILE A 36 -2.694 0.290 -3.765 1.00 0.00 N ATOM 556 CA ILE A 36 -1.936 1.480 -4.260 1.00 0.00 C ATOM 557 C ILE A 36 -0.524 1.498 -3.671 1.00 0.00 C ATOM 558 O ILE A 36 -0.343 1.469 -2.472 1.00 0.00 O ATOM 559 CB ILE A 36 -2.711 2.704 -3.769 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.206 2.523 -4.041 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.207 3.942 -4.511 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.963 3.763 -3.558 1.00 0.00 C ATOM 0 H ILE A 36 -2.512 0.029 -2.796 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.841 1.463 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.558 2.822 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.377 2.371 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.576 1.635 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.754 4.820 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.144 4.077 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.364 3.813 -5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.028 3.637 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.801 3.895 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.600 4.642 -4.091 1.00 0.00 H new ATOM 574 N VAL A 37 0.477 1.569 -4.506 1.00 0.00 N ATOM 575 CA VAL A 37 1.875 1.613 -3.990 1.00 0.00 C ATOM 576 C VAL A 37 2.434 3.026 -4.171 1.00 0.00 C ATOM 577 O VAL A 37 2.084 3.719 -5.107 1.00 0.00 O ATOM 578 CB VAL A 37 2.659 0.611 -4.837 1.00 0.00 C ATOM 579 CG1 VAL A 37 4.115 0.577 -4.364 1.00 0.00 C ATOM 580 CG2 VAL A 37 2.044 -0.783 -4.683 1.00 0.00 C ATOM 0 H VAL A 37 0.387 1.598 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 37 1.937 1.365 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 37 2.620 0.912 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.677 -0.137 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.556 1.568 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.151 0.276 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.604 -1.497 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.083 -1.084 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.006 -0.762 -5.015 1.00 0.00 H new ATOM 590 N ARG A 38 3.290 3.469 -3.288 1.00 0.00 N ATOM 591 CA ARG A 38 3.842 4.848 -3.435 1.00 0.00 C ATOM 592 C ARG A 38 5.291 4.926 -2.951 1.00 0.00 C ATOM 593 O ARG A 38 5.842 3.967 -2.441 1.00 0.00 O ATOM 594 CB ARG A 38 2.937 5.737 -2.580 1.00 0.00 C ATOM 595 CG ARG A 38 2.925 5.239 -1.130 1.00 0.00 C ATOM 596 CD ARG A 38 4.089 5.861 -0.360 1.00 0.00 C ATOM 597 NE ARG A 38 3.667 5.820 1.068 1.00 0.00 N ATOM 598 CZ ARG A 38 4.062 6.752 1.892 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.305 6.791 2.285 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.211 7.641 2.326 1.00 0.00 N ATOM 0 H ARG A 38 3.627 2.944 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 38 3.857 5.161 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.289 6.768 -2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.924 5.732 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.980 5.501 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.002 4.152 -1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.011 5.301 -0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.278 6.883 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 38 3.069 5.064 1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.968 6.093 1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.614 7.519 2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.238 7.607 2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.519 8.370 2.970 1.00 0.00 H new ATOM 614 N ASP A 39 5.913 6.066 -3.122 1.00 0.00 N ATOM 615 CA ASP A 39 7.337 6.221 -2.690 1.00 0.00 C ATOM 616 C ASP A 39 7.425 6.538 -1.193 1.00 0.00 C ATOM 617 O ASP A 39 6.505 7.069 -0.604 1.00 0.00 O ATOM 618 CB ASP A 39 7.872 7.392 -3.516 1.00 0.00 C ATOM 619 CG ASP A 39 9.371 7.556 -3.259 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.049 6.547 -3.158 1.00 0.00 O ATOM 621 OD2 ASP A 39 9.816 8.688 -3.168 1.00 0.00 O ATOM 0 H ASP A 39 5.496 6.897 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 39 7.910 5.307 -2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.691 7.215 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.345 8.308 -3.251 1.00 0.00 H new ATOM 626 N SER A 40 8.535 6.217 -0.576 1.00 0.00 N ATOM 627 CA SER A 40 8.694 6.498 0.883 1.00 0.00 C ATOM 628 C SER A 40 9.634 7.691 1.097 1.00 0.00 C ATOM 629 O SER A 40 9.706 8.588 0.280 1.00 0.00 O ATOM 630 CB SER A 40 9.300 5.222 1.463 1.00 0.00 C ATOM 631 OG SER A 40 9.337 5.324 2.881 1.00 0.00 O ATOM 0 H SER A 40 9.338 5.772 -1.021 1.00 0.00 H new ATOM 0 HA SER A 40 7.749 6.755 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.709 4.356 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.306 5.072 1.071 1.00 0.00 H new ATOM 0 HG SER A 40 10.094 4.807 3.227 1.00 0.00 H new ATOM 637 N SER A 41 10.354 7.711 2.192 1.00 0.00 N ATOM 638 CA SER A 41 11.284 8.850 2.454 1.00 0.00 C ATOM 639 C SER A 41 12.492 8.376 3.269 1.00 0.00 C ATOM 640 O SER A 41 13.626 8.533 2.861 1.00 0.00 O ATOM 641 CB SER A 41 10.460 9.858 3.253 1.00 0.00 C ATOM 642 OG SER A 41 11.317 10.881 3.742 1.00 0.00 O ATOM 0 H SER A 41 10.337 6.990 2.913 1.00 0.00 H new ATOM 0 HA SER A 41 11.675 9.282 1.533 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.682 10.289 2.624 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.959 9.360 4.083 1.00 0.00 H new ATOM 0 HG SER A 41 10.792 11.531 4.254 1.00 0.00 H new ATOM 648 N LYS A 42 12.258 7.799 4.420 1.00 0.00 N ATOM 649 CA LYS A 42 13.396 7.317 5.263 1.00 0.00 C ATOM 650 C LYS A 42 14.295 6.377 4.456 1.00 0.00 C ATOM 651 O LYS A 42 15.419 6.706 4.130 1.00 0.00 O ATOM 652 CB LYS A 42 12.742 6.564 6.424 1.00 0.00 C ATOM 653 CG LYS A 42 11.989 7.552 7.316 1.00 0.00 C ATOM 654 CD LYS A 42 11.133 6.781 8.323 1.00 0.00 C ATOM 655 CE LYS A 42 11.907 6.618 9.633 1.00 0.00 C ATOM 656 NZ LYS A 42 10.871 6.288 10.652 1.00 0.00 N ATOM 0 H LYS A 42 11.330 7.641 4.813 1.00 0.00 H new ATOM 0 HA LYS A 42 14.024 8.137 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.056 5.809 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.501 6.040 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.695 8.196 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.358 8.200 6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.199 7.312 8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.870 5.803 7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.652 5.826 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.440 7.532 9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.324 6.161 11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.180 7.063 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.385 5.409 10.381 1.00 0.00 H new ATOM 670 N ALA A 43 13.804 5.215 4.123 1.00 0.00 N ATOM 671 CA ALA A 43 14.622 4.252 3.327 1.00 0.00 C ATOM 672 C ALA A 43 14.433 4.508 1.835 1.00 0.00 C ATOM 673 O ALA A 43 15.157 3.986 1.009 1.00 0.00 O ATOM 674 CB ALA A 43 14.069 2.868 3.675 1.00 0.00 C ATOM 0 H ALA A 43 12.869 4.889 4.368 1.00 0.00 H new ATOM 0 HA ALA A 43 15.685 4.346 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.623 2.106 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.175 2.693 4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.015 2.818 3.402 1.00 0.00 H new ATOM 680 N GLY A 44 13.437 5.269 1.482 1.00 0.00 N ATOM 681 CA GLY A 44 13.172 5.513 0.044 1.00 0.00 C ATOM 682 C GLY A 44 12.547 4.241 -0.521 1.00 0.00 C ATOM 683 O GLY A 44 12.678 3.929 -1.689 1.00 0.00 O ATOM 0 H GLY A 44 12.797 5.731 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.500 6.362 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.096 5.754 -0.482 1.00 0.00 H new ATOM 687 N LYS A 45 11.872 3.496 0.320 1.00 0.00 N ATOM 688 CA LYS A 45 11.237 2.232 -0.132 1.00 0.00 C ATOM 689 C LYS A 45 9.821 2.516 -0.635 1.00 0.00 C ATOM 690 O LYS A 45 9.428 3.658 -0.780 1.00 0.00 O ATOM 691 CB LYS A 45 11.202 1.340 1.112 1.00 0.00 C ATOM 692 CG LYS A 45 10.306 1.971 2.187 1.00 0.00 C ATOM 693 CD LYS A 45 11.146 2.331 3.415 1.00 0.00 C ATOM 694 CE LYS A 45 10.232 2.482 4.634 1.00 0.00 C ATOM 695 NZ LYS A 45 10.345 1.188 5.362 1.00 0.00 N ATOM 0 H LYS A 45 11.736 3.716 1.307 1.00 0.00 H new ATOM 0 HA LYS A 45 11.779 1.760 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.827 0.351 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.211 1.205 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.822 2.864 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.514 1.276 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.890 1.556 3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.689 3.259 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.545 3.317 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.203 2.678 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.526 1.072 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.368 0.405 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.220 1.181 5.925 1.00 0.00 H new ATOM 709 N TYR A 46 9.047 1.496 -0.896 1.00 0.00 N ATOM 710 CA TYR A 46 7.654 1.734 -1.382 1.00 0.00 C ATOM 711 C TYR A 46 6.640 1.265 -0.333 1.00 0.00 C ATOM 712 O TYR A 46 6.957 0.491 0.554 1.00 0.00 O ATOM 713 CB TYR A 46 7.513 0.909 -2.668 1.00 0.00 C ATOM 714 CG TYR A 46 8.634 1.224 -3.642 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.308 2.452 -3.583 1.00 0.00 C ATOM 716 CD2 TYR A 46 8.997 0.279 -4.610 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.341 2.732 -4.485 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.030 0.560 -5.512 1.00 0.00 C ATOM 719 CZ TYR A 46 10.702 1.785 -5.449 1.00 0.00 C ATOM 720 OH TYR A 46 11.721 2.060 -6.339 1.00 0.00 O ATOM 0 H TYR A 46 9.314 0.517 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 46 7.466 2.792 -1.563 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.525 -0.154 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.551 1.119 -3.135 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.029 3.184 -2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.479 -0.668 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.859 3.678 -4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.308 -0.170 -6.258 1.00 0.00 H new ATOM 0 HH TYR A 46 11.515 1.656 -7.208 1.00 0.00 H new ATOM 730 N THR A 47 5.419 1.722 -0.436 1.00 0.00 N ATOM 731 CA THR A 47 4.373 1.300 0.544 1.00 0.00 C ATOM 732 C THR A 47 3.127 0.833 -0.206 1.00 0.00 C ATOM 733 O THR A 47 2.646 1.505 -1.094 1.00 0.00 O ATOM 734 CB THR A 47 4.067 2.551 1.375 1.00 0.00 C ATOM 735 OG1 THR A 47 5.242 2.963 2.058 1.00 0.00 O ATOM 736 CG2 THR A 47 2.964 2.238 2.393 1.00 0.00 C ATOM 0 H THR A 47 5.100 2.370 -1.157 1.00 0.00 H new ATOM 0 HA THR A 47 4.702 0.474 1.174 1.00 0.00 H new ATOM 0 HB THR A 47 3.730 3.351 0.715 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.048 3.764 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.749 3.130 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.062 1.924 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.296 1.437 3.054 1.00 0.00 H new ATOM 744 N VAL A 48 2.605 -0.315 0.137 1.00 0.00 N ATOM 745 CA VAL A 48 1.393 -0.823 -0.573 1.00 0.00 C ATOM 746 C VAL A 48 0.125 -0.499 0.222 1.00 0.00 C ATOM 747 O VAL A 48 -0.201 -1.159 1.187 1.00 0.00 O ATOM 748 CB VAL A 48 1.595 -2.335 -0.670 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.416 -2.961 -1.418 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.892 -2.633 -1.427 1.00 0.00 C ATOM 0 H VAL A 48 2.963 -0.921 0.875 1.00 0.00 H new ATOM 0 HA VAL A 48 1.271 -0.362 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 48 1.656 -2.756 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.560 -4.039 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.509 -2.752 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.355 -2.538 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.034 -3.712 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.833 -2.211 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.734 -2.189 -0.896 1.00 0.00 H new ATOM 760 N SER A 49 -0.593 0.512 -0.188 1.00 0.00 N ATOM 761 CA SER A 49 -1.847 0.891 0.525 1.00 0.00 C ATOM 762 C SER A 49 -3.033 0.107 -0.043 1.00 0.00 C ATOM 763 O SER A 49 -3.510 0.393 -1.124 1.00 0.00 O ATOM 764 CB SER A 49 -2.018 2.383 0.245 1.00 0.00 C ATOM 765 OG SER A 49 -1.449 3.130 1.313 1.00 0.00 O ATOM 0 H SER A 49 -0.363 1.096 -0.992 1.00 0.00 H new ATOM 0 HA SER A 49 -1.800 0.673 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.535 2.646 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.075 2.626 0.139 1.00 0.00 H new ATOM 0 HG SER A 49 -2.019 3.053 2.106 1.00 0.00 H new ATOM 771 N VAL A 50 -3.513 -0.880 0.670 1.00 0.00 N ATOM 772 CA VAL A 50 -4.671 -1.669 0.148 1.00 0.00 C ATOM 773 C VAL A 50 -5.851 -1.602 1.125 1.00 0.00 C ATOM 774 O VAL A 50 -5.679 -1.733 2.321 1.00 0.00 O ATOM 775 CB VAL A 50 -4.158 -3.106 0.021 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.122 -3.181 -1.102 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.512 -3.547 1.338 1.00 0.00 C ATOM 0 H VAL A 50 -3.159 -1.172 1.581 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.030 -1.281 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.995 -3.765 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.757 -4.204 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.582 -2.875 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.288 -2.517 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.149 -4.570 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.677 -2.887 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.249 -3.498 2.139 1.00 0.00 H new ATOM 787 N PHE A 51 -7.051 -1.397 0.634 1.00 0.00 N ATOM 788 CA PHE A 51 -8.221 -1.324 1.565 1.00 0.00 C ATOM 789 C PHE A 51 -9.396 -2.160 1.042 1.00 0.00 C ATOM 790 O PHE A 51 -9.378 -2.639 -0.070 1.00 0.00 O ATOM 791 CB PHE A 51 -8.593 0.167 1.611 1.00 0.00 C ATOM 792 CG PHE A 51 -10.010 0.364 1.111 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.271 0.331 -0.262 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.058 0.560 2.019 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.579 0.493 -0.728 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.366 0.723 1.550 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.626 0.689 0.177 1.00 0.00 C ATOM 0 H PHE A 51 -7.269 -1.279 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.982 -1.722 2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.503 0.541 2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.899 0.742 0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.463 0.180 -0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.857 0.585 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.781 0.467 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.175 0.875 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.636 0.814 -0.185 1.00 0.00 H new ATOM 807 N ALA A 52 -10.431 -2.301 1.837 1.00 0.00 N ATOM 808 CA ALA A 52 -11.630 -3.069 1.388 1.00 0.00 C ATOM 809 C ALA A 52 -12.826 -2.779 2.295 1.00 0.00 C ATOM 810 O ALA A 52 -12.692 -2.195 3.346 1.00 0.00 O ATOM 811 CB ALA A 52 -11.253 -4.546 1.480 1.00 0.00 C ATOM 0 H ALA A 52 -10.494 -1.915 2.779 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.914 -2.789 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.097 -5.158 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.398 -4.744 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.995 -4.792 2.510 1.00 0.00 H new ATOM 817 N LYS A 53 -13.998 -3.188 1.891 1.00 0.00 N ATOM 818 CA LYS A 53 -15.209 -2.940 2.720 1.00 0.00 C ATOM 819 C LYS A 53 -15.921 -4.267 3.025 1.00 0.00 C ATOM 820 O LYS A 53 -17.096 -4.420 2.754 1.00 0.00 O ATOM 821 CB LYS A 53 -16.091 -2.057 1.841 1.00 0.00 C ATOM 822 CG LYS A 53 -15.670 -0.595 1.997 1.00 0.00 C ATOM 823 CD LYS A 53 -16.810 0.316 1.537 1.00 0.00 C ATOM 824 CE LYS A 53 -16.511 1.758 1.951 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.124 2.598 0.884 1.00 0.00 N ATOM 0 H LYS A 53 -14.168 -3.686 1.017 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.976 -2.476 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.004 -2.362 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.137 -2.177 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.421 -0.386 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.774 -0.399 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.925 0.254 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.752 -0.012 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.939 1.985 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.438 1.934 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.387 2.906 0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.841 2.043 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.572 3.432 1.314 1.00 0.00 H new ATOM 839 N SER A 54 -15.223 -5.232 3.574 1.00 0.00 N ATOM 840 CA SER A 54 -15.882 -6.542 3.878 1.00 0.00 C ATOM 841 C SER A 54 -14.967 -7.445 4.720 1.00 0.00 C ATOM 842 O SER A 54 -14.450 -8.435 4.244 1.00 0.00 O ATOM 843 CB SER A 54 -16.148 -7.176 2.511 1.00 0.00 C ATOM 844 OG SER A 54 -17.543 -7.141 2.241 1.00 0.00 O ATOM 0 H SER A 54 -14.236 -5.171 3.823 1.00 0.00 H new ATOM 0 HA SER A 54 -16.794 -6.407 4.459 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.602 -6.639 1.736 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.789 -8.205 2.498 1.00 0.00 H new ATOM 0 HG SER A 54 -17.863 -6.216 2.291 1.00 0.00 H new ATOM 850 N THR A 55 -14.781 -7.116 5.973 1.00 0.00 N ATOM 851 CA THR A 55 -13.916 -7.957 6.867 1.00 0.00 C ATOM 852 C THR A 55 -13.864 -7.305 8.256 1.00 0.00 C ATOM 853 O THR A 55 -14.893 -7.095 8.870 1.00 0.00 O ATOM 854 CB THR A 55 -12.527 -8.006 6.203 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.592 -8.571 7.111 1.00 0.00 O ATOM 856 CG2 THR A 55 -12.072 -6.598 5.816 1.00 0.00 C ATOM 0 H THR A 55 -15.192 -6.297 6.421 1.00 0.00 H new ATOM 0 HA THR A 55 -14.298 -8.970 6.996 1.00 0.00 H new ATOM 0 HB THR A 55 -12.586 -8.617 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.707 -8.605 6.691 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.089 -6.649 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.786 -6.165 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.017 -5.975 6.709 1.00 0.00 H new ATOM 864 N GLY A 56 -12.699 -6.960 8.759 1.00 0.00 N ATOM 865 CA GLY A 56 -12.639 -6.301 10.100 1.00 0.00 C ATOM 866 C GLY A 56 -13.644 -5.147 10.105 1.00 0.00 C ATOM 867 O GLY A 56 -14.294 -4.867 11.093 1.00 0.00 O ATOM 0 H GLY A 56 -11.798 -7.105 8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.876 -7.017 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.633 -5.931 10.298 1.00 0.00 H new ATOM 871 N ASP A 57 -13.787 -4.501 8.980 1.00 0.00 N ATOM 872 CA ASP A 57 -14.756 -3.386 8.854 1.00 0.00 C ATOM 873 C ASP A 57 -15.577 -3.600 7.572 1.00 0.00 C ATOM 874 O ASP A 57 -15.102 -3.325 6.490 1.00 0.00 O ATOM 875 CB ASP A 57 -13.897 -2.139 8.731 1.00 0.00 C ATOM 876 CG ASP A 57 -14.599 -0.960 9.406 1.00 0.00 C ATOM 877 OD1 ASP A 57 -15.813 -0.882 9.305 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.912 -0.153 10.010 1.00 0.00 O ATOM 0 H ASP A 57 -13.262 -4.706 8.130 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.448 -3.315 9.693 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.925 -2.309 9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.715 -1.913 7.680 1.00 0.00 H new ATOM 883 N PRO A 58 -16.774 -4.104 7.723 1.00 0.00 N ATOM 884 CA PRO A 58 -17.639 -4.377 6.548 1.00 0.00 C ATOM 885 C PRO A 58 -17.854 -3.136 5.683 1.00 0.00 C ATOM 886 O PRO A 58 -18.269 -3.234 4.545 1.00 0.00 O ATOM 887 CB PRO A 58 -18.950 -4.814 7.197 1.00 0.00 C ATOM 888 CG PRO A 58 -18.778 -4.807 8.727 1.00 0.00 C ATOM 889 CD PRO A 58 -17.335 -4.419 9.058 1.00 0.00 C ATOM 0 HA PRO A 58 -17.206 -5.115 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.757 -4.142 6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -19.226 -5.811 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.473 -4.101 9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.008 -5.790 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -17.289 -3.562 9.730 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.797 -5.233 9.543 1.00 0.00 H new ATOM 897 N GLN A 59 -17.608 -1.975 6.210 1.00 0.00 N ATOM 898 CA GLN A 59 -17.838 -0.740 5.400 1.00 0.00 C ATOM 899 C GLN A 59 -16.578 0.127 5.277 1.00 0.00 C ATOM 900 O GLN A 59 -16.677 1.322 5.086 1.00 0.00 O ATOM 901 CB GLN A 59 -18.931 0.020 6.155 1.00 0.00 C ATOM 902 CG GLN A 59 -18.532 0.156 7.625 1.00 0.00 C ATOM 903 CD GLN A 59 -19.388 1.233 8.291 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.362 2.381 7.891 1.00 0.00 O ATOM 905 NE2 GLN A 59 -20.153 0.912 9.300 1.00 0.00 N ATOM 0 H GLN A 59 -17.261 -1.821 7.157 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.117 -0.992 4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.075 1.006 5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.881 -0.509 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.664 -0.797 8.138 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.476 0.416 7.703 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.176 -0.051 9.637 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -20.727 1.624 9.751 1.00 0.00 H new ATOM 914 N GLY A 60 -15.400 -0.440 5.361 1.00 0.00 N ATOM 915 CA GLY A 60 -14.182 0.406 5.216 1.00 0.00 C ATOM 916 C GLY A 60 -12.970 -0.227 5.909 1.00 0.00 C ATOM 917 O GLY A 60 -12.845 -0.189 7.117 1.00 0.00 O ATOM 0 H GLY A 60 -15.233 -1.433 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.963 0.551 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.371 1.392 5.640 1.00 0.00 H new ATOM 921 N VAL A 61 -12.064 -0.788 5.148 1.00 0.00 N ATOM 922 CA VAL A 61 -10.846 -1.409 5.753 1.00 0.00 C ATOM 923 C VAL A 61 -9.608 -1.006 4.976 1.00 0.00 C ATOM 924 O VAL A 61 -9.625 -0.914 3.773 1.00 0.00 O ATOM 925 CB VAL A 61 -11.046 -2.918 5.639 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.837 -3.640 6.236 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.311 -3.321 6.385 1.00 0.00 C ATOM 0 H VAL A 61 -12.116 -0.843 4.131 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.711 -1.089 6.786 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.146 -3.195 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.980 -4.718 6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.937 -3.351 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.732 -3.366 7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.454 -4.399 6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.217 -3.046 7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.169 -2.808 5.951 1.00 0.00 H new ATOM 937 N ILE A 62 -8.539 -0.749 5.665 1.00 0.00 N ATOM 938 CA ILE A 62 -7.287 -0.322 4.975 1.00 0.00 C ATOM 939 C ILE A 62 -6.048 -0.928 5.636 1.00 0.00 C ATOM 940 O ILE A 62 -6.084 -1.389 6.759 1.00 0.00 O ATOM 941 CB ILE A 62 -7.270 1.203 5.109 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.690 1.694 5.439 1.00 0.00 C ATOM 943 CG2 ILE A 62 -6.787 1.817 3.788 1.00 0.00 C ATOM 944 CD1 ILE A 62 -8.738 3.213 5.482 1.00 0.00 C ATOM 0 H ILE A 62 -8.473 -0.815 6.681 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.268 -0.654 3.937 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.594 1.505 5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.391 1.324 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.006 1.288 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.772 2.903 3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.782 1.457 3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.463 1.527 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.751 3.538 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.053 3.577 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.444 3.614 4.512 1.00 0.00 H new ATOM 956 N ARG A 63 -4.948 -0.918 4.931 1.00 0.00 N ATOM 957 CA ARG A 63 -3.680 -1.478 5.480 1.00 0.00 C ATOM 958 C ARG A 63 -2.532 -1.150 4.520 1.00 0.00 C ATOM 959 O ARG A 63 -2.487 -1.641 3.407 1.00 0.00 O ATOM 960 CB ARG A 63 -3.911 -2.989 5.556 1.00 0.00 C ATOM 961 CG ARG A 63 -3.418 -3.517 6.905 1.00 0.00 C ATOM 962 CD ARG A 63 -3.864 -4.971 7.077 1.00 0.00 C ATOM 963 NE ARG A 63 -4.020 -5.156 8.547 1.00 0.00 N ATOM 964 CZ ARG A 63 -4.778 -6.115 9.006 1.00 0.00 C ATOM 965 NH1 ARG A 63 -4.739 -7.298 8.455 1.00 0.00 N ATOM 966 NH2 ARG A 63 -5.572 -5.892 10.017 1.00 0.00 N ATOM 0 H ARG A 63 -4.874 -0.541 3.986 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.420 -1.068 6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.971 -3.212 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.383 -3.489 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.331 -3.450 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.816 -2.905 7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.801 -5.161 6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.126 -5.661 6.669 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.535 -4.534 9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.116 -7.473 7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.331 -8.047 8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.601 -4.968 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.164 -6.641 10.375 1.00 0.00 H new ATOM 980 N HIS A 64 -1.616 -0.311 4.927 1.00 0.00 N ATOM 981 CA HIS A 64 -0.490 0.055 4.015 1.00 0.00 C ATOM 982 C HIS A 64 0.744 -0.795 4.303 1.00 0.00 C ATOM 983 O HIS A 64 1.466 -0.560 5.252 1.00 0.00 O ATOM 984 CB HIS A 64 -0.178 1.532 4.286 1.00 0.00 C ATOM 985 CG HIS A 64 -1.444 2.278 4.616 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.407 2.554 3.660 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.919 2.802 5.791 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.405 3.216 4.272 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.157 3.394 5.573 1.00 0.00 N ATOM 0 H HIS A 64 -1.597 0.134 5.844 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.766 -0.117 2.975 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.529 1.617 5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.298 1.977 3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.408 2.761 6.742 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.298 3.562 3.773 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.749 3.863 6.258 1.00 0.00 H new ATOM 997 N TYR A 65 1.006 -1.766 3.474 1.00 0.00 N ATOM 998 CA TYR A 65 2.210 -2.615 3.680 1.00 0.00 C ATOM 999 C TYR A 65 3.425 -1.882 3.134 1.00 0.00 C ATOM 1000 O TYR A 65 3.462 -1.508 1.982 1.00 0.00 O ATOM 1001 CB TYR A 65 1.974 -3.879 2.864 1.00 0.00 C ATOM 1002 CG TYR A 65 0.572 -4.404 3.091 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.013 -4.329 4.363 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.142 -4.973 2.029 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.304 -4.821 4.571 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.436 -5.464 2.238 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.016 -5.390 3.509 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.292 -5.875 3.715 1.00 0.00 O ATOM 0 H TYR A 65 0.438 -2.008 2.662 1.00 0.00 H new ATOM 0 HA TYR A 65 2.378 -2.842 4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.122 -3.668 1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.703 -4.640 3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.535 -3.890 5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.306 -5.033 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.753 -4.762 5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.987 -5.900 1.418 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.645 -6.235 2.875 1.00 0.00 H new ATOM 1018 N VAL A 66 4.418 -1.675 3.936 1.00 0.00 N ATOM 1019 CA VAL A 66 5.621 -0.959 3.430 1.00 0.00 C ATOM 1020 C VAL A 66 6.794 -1.921 3.321 1.00 0.00 C ATOM 1021 O VAL A 66 6.754 -3.024 3.826 1.00 0.00 O ATOM 1022 CB VAL A 66 5.920 0.134 4.457 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.090 0.986 3.955 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.686 1.026 4.642 1.00 0.00 C ATOM 0 H VAL A 66 4.456 -1.965 4.913 1.00 0.00 H new ATOM 0 HA VAL A 66 5.454 -0.538 2.438 1.00 0.00 H new ATOM 0 HB VAL A 66 6.177 -0.326 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.309 1.768 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.969 0.355 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.825 1.442 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.905 1.803 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.425 1.488 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.850 0.422 4.993 1.00 0.00 H new ATOM 1034 N VAL A 67 7.841 -1.516 2.662 1.00 0.00 N ATOM 1035 CA VAL A 67 9.013 -2.416 2.526 1.00 0.00 C ATOM 1036 C VAL A 67 10.257 -1.773 3.134 1.00 0.00 C ATOM 1037 O VAL A 67 10.621 -0.665 2.803 1.00 0.00 O ATOM 1038 CB VAL A 67 9.196 -2.607 1.024 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.444 -3.456 0.772 1.00 0.00 C ATOM 1040 CG2 VAL A 67 7.964 -3.309 0.447 1.00 0.00 C ATOM 0 H VAL A 67 7.935 -0.604 2.214 1.00 0.00 H new ATOM 0 HA VAL A 67 8.861 -3.362 3.045 1.00 0.00 H new ATOM 0 HB VAL A 67 9.315 -1.638 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.579 -3.595 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.317 -2.951 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.326 -4.428 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.093 -3.446 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.842 -4.281 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.079 -2.700 0.631 1.00 0.00 H new ATOM 1050 N CYS A 68 10.921 -2.474 4.006 1.00 0.00 N ATOM 1051 CA CYS A 68 12.155 -1.920 4.619 1.00 0.00 C ATOM 1052 C CYS A 68 13.346 -2.263 3.726 1.00 0.00 C ATOM 1053 O CYS A 68 13.245 -3.098 2.851 1.00 0.00 O ATOM 1054 CB CYS A 68 12.271 -2.610 5.979 1.00 0.00 C ATOM 1055 SG CYS A 68 13.539 -1.782 6.970 1.00 0.00 S ATOM 0 H CYS A 68 10.661 -3.409 4.321 1.00 0.00 H new ATOM 0 HA CYS A 68 12.130 -0.836 4.731 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.312 -2.580 6.497 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.528 -3.661 5.845 1.00 0.00 H new ATOM 0 HG CYS A 68 13.636 -2.367 8.127 1.00 0.00 H new ATOM 1061 N SER A 69 14.466 -1.622 3.920 1.00 0.00 N ATOM 1062 CA SER A 69 15.641 -1.922 3.052 1.00 0.00 C ATOM 1063 C SER A 69 16.938 -1.958 3.863 1.00 0.00 C ATOM 1064 O SER A 69 17.229 -1.066 4.635 1.00 0.00 O ATOM 1065 CB SER A 69 15.684 -0.781 2.039 1.00 0.00 C ATOM 1066 OG SER A 69 15.224 0.417 2.651 1.00 0.00 O ATOM 0 H SER A 69 14.618 -0.910 4.635 1.00 0.00 H new ATOM 0 HA SER A 69 15.548 -2.899 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.701 -0.646 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.062 -1.023 1.177 1.00 0.00 H new ATOM 0 HG SER A 69 15.979 0.882 3.067 1.00 0.00 H new ATOM 1072 N THR A 70 17.727 -2.980 3.667 1.00 0.00 N ATOM 1073 CA THR A 70 19.026 -3.083 4.394 1.00 0.00 C ATOM 1074 C THR A 70 20.156 -2.651 3.446 1.00 0.00 C ATOM 1075 O THR A 70 19.993 -2.706 2.244 1.00 0.00 O ATOM 1076 CB THR A 70 19.148 -4.562 4.781 1.00 0.00 C ATOM 1077 OG1 THR A 70 20.325 -4.762 5.551 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.211 -5.430 3.523 1.00 0.00 C ATOM 0 H THR A 70 17.527 -3.752 3.031 1.00 0.00 H new ATOM 0 HA THR A 70 19.084 -2.446 5.277 1.00 0.00 H new ATOM 0 HB THR A 70 18.275 -4.845 5.369 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.398 -5.708 5.797 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.298 -6.478 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.303 -5.287 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.077 -5.144 2.926 1.00 0.00 H new ATOM 1086 N PRO A 71 21.262 -2.213 4.001 1.00 0.00 N ATOM 1087 CA PRO A 71 22.396 -1.750 3.164 1.00 0.00 C ATOM 1088 C PRO A 71 23.002 -2.869 2.309 1.00 0.00 C ATOM 1089 O PRO A 71 23.971 -2.651 1.606 1.00 0.00 O ATOM 1090 CB PRO A 71 23.399 -1.241 4.204 1.00 0.00 C ATOM 1091 CG PRO A 71 22.797 -1.435 5.609 1.00 0.00 C ATOM 1092 CD PRO A 71 21.442 -2.141 5.473 1.00 0.00 C ATOM 0 HA PRO A 71 22.093 -0.997 2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.340 -1.784 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.621 -0.188 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.470 -2.026 6.230 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.673 -0.471 6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.453 -3.131 5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.641 -1.578 5.952 1.00 0.00 H new ATOM 1100 N GLN A 72 22.447 -4.050 2.328 1.00 0.00 N ATOM 1101 CA GLN A 72 23.012 -5.134 1.479 1.00 0.00 C ATOM 1102 C GLN A 72 22.234 -5.188 0.156 1.00 0.00 C ATOM 1103 O GLN A 72 22.174 -6.205 -0.502 1.00 0.00 O ATOM 1104 CB GLN A 72 22.822 -6.414 2.304 1.00 0.00 C ATOM 1105 CG GLN A 72 23.325 -7.636 1.526 1.00 0.00 C ATOM 1106 CD GLN A 72 24.780 -7.421 1.103 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.534 -6.764 1.793 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.210 -7.951 -0.009 1.00 0.00 N ATOM 0 H GLN A 72 21.635 -4.309 2.889 1.00 0.00 H new ATOM 0 HA GLN A 72 24.061 -4.988 1.223 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.362 -6.329 3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.768 -6.541 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.245 -8.530 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.702 -7.800 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.578 -8.503 -0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.178 -7.814 -0.298 1.00 0.00 H new ATOM 1117 N SER A 73 21.631 -4.086 -0.233 1.00 0.00 N ATOM 1118 CA SER A 73 20.841 -4.060 -1.502 1.00 0.00 C ATOM 1119 C SER A 73 19.681 -5.046 -1.386 1.00 0.00 C ATOM 1120 O SER A 73 19.448 -5.854 -2.263 1.00 0.00 O ATOM 1121 CB SER A 73 21.814 -4.487 -2.603 1.00 0.00 C ATOM 1122 OG SER A 73 21.706 -3.587 -3.699 1.00 0.00 O ATOM 0 H SER A 73 21.654 -3.203 0.277 1.00 0.00 H new ATOM 0 HA SER A 73 20.419 -3.078 -1.716 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.835 -4.492 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.590 -5.503 -2.928 1.00 0.00 H new ATOM 0 HG SER A 73 22.329 -3.856 -4.406 1.00 0.00 H new ATOM 1128 N GLN A 74 18.969 -5.001 -0.290 1.00 0.00 N ATOM 1129 CA GLN A 74 17.839 -5.953 -0.088 1.00 0.00 C ATOM 1130 C GLN A 74 16.620 -5.228 0.493 1.00 0.00 C ATOM 1131 O GLN A 74 16.708 -4.093 0.920 1.00 0.00 O ATOM 1132 CB GLN A 74 18.370 -6.993 0.904 1.00 0.00 C ATOM 1133 CG GLN A 74 19.901 -7.002 0.887 1.00 0.00 C ATOM 1134 CD GLN A 74 20.414 -8.285 1.545 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.519 -8.363 2.753 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.739 -9.302 0.796 1.00 0.00 N ATOM 0 H GLN A 74 19.123 -4.344 0.475 1.00 0.00 H new ATOM 0 HA GLN A 74 17.514 -6.407 -1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.011 -6.766 1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.990 -7.981 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.264 -6.937 -0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.286 -6.131 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.651 -9.237 -0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.081 -10.162 1.224 1.00 0.00 H new ATOM 1145 N TYR A 75 15.476 -5.870 0.494 1.00 0.00 N ATOM 1146 CA TYR A 75 14.239 -5.204 1.030 1.00 0.00 C ATOM 1147 C TYR A 75 13.306 -6.218 1.704 1.00 0.00 C ATOM 1148 O TYR A 75 13.374 -7.395 1.448 1.00 0.00 O ATOM 1149 CB TYR A 75 13.537 -4.606 -0.191 1.00 0.00 C ATOM 1150 CG TYR A 75 14.511 -3.784 -0.996 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.382 -4.414 -1.889 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.545 -2.397 -0.844 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.290 -3.657 -2.631 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.452 -1.637 -1.587 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.326 -2.267 -2.481 1.00 0.00 C ATOM 1156 OH TYR A 75 17.223 -1.516 -3.216 1.00 0.00 O ATOM 0 H TYR A 75 15.342 -6.821 0.150 1.00 0.00 H new ATOM 0 HA TYR A 75 14.495 -4.456 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.123 -5.403 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.701 -3.984 0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.353 -5.487 -2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.871 -1.912 -0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 75 16.964 -4.144 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.479 -0.564 -1.472 1.00 0.00 H new ATOM 0 HH TYR A 75 17.116 -0.568 -2.993 1.00 0.00 H new ATOM 1166 N TYR A 76 12.413 -5.747 2.544 1.00 0.00 N ATOM 1167 CA TYR A 76 11.442 -6.658 3.239 1.00 0.00 C ATOM 1168 C TYR A 76 10.541 -5.863 4.190 1.00 0.00 C ATOM 1169 O TYR A 76 10.903 -4.806 4.663 1.00 0.00 O ATOM 1170 CB TYR A 76 12.292 -7.646 4.061 1.00 0.00 C ATOM 1171 CG TYR A 76 13.113 -6.897 5.090 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.528 -6.515 6.302 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.460 -6.603 4.845 1.00 0.00 C ATOM 1174 CE1 TYR A 76 13.280 -5.839 7.266 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.215 -5.928 5.810 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.627 -5.546 7.022 1.00 0.00 C ATOM 1177 OH TYR A 76 15.377 -4.878 7.971 1.00 0.00 O ATOM 0 H TYR A 76 12.314 -4.760 2.781 1.00 0.00 H new ATOM 0 HA TYR A 76 10.803 -7.165 2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.645 -8.369 4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.950 -8.209 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.490 -6.744 6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.916 -6.897 3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.823 -5.543 8.198 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.254 -5.701 5.620 1.00 0.00 H new ATOM 0 HH TYR A 76 16.291 -4.757 7.640 1.00 0.00 H new ATOM 1187 N LEU A 77 9.404 -6.406 4.528 1.00 0.00 N ATOM 1188 CA LEU A 77 8.506 -5.726 5.509 1.00 0.00 C ATOM 1189 C LEU A 77 8.755 -6.406 6.859 1.00 0.00 C ATOM 1190 O LEU A 77 8.323 -5.962 7.905 1.00 0.00 O ATOM 1191 CB LEU A 77 7.080 -5.983 5.004 1.00 0.00 C ATOM 1192 CG LEU A 77 6.056 -5.534 6.054 1.00 0.00 C ATOM 1193 CD1 LEU A 77 6.120 -4.015 6.232 1.00 0.00 C ATOM 1194 CD2 LEU A 77 4.649 -5.924 5.589 1.00 0.00 C ATOM 0 H LEU A 77 9.056 -7.294 4.167 1.00 0.00 H new ATOM 0 HA LEU A 77 8.672 -4.654 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.915 -5.445 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.949 -7.043 4.788 1.00 0.00 H new ATOM 0 HG LEU A 77 6.283 -6.019 7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.390 -3.705 6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.119 -3.729 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.897 -3.528 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.919 -5.606 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.432 -5.438 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.594 -7.005 5.465 1.00 0.00 H new ATOM 1206 N ALA A 78 9.513 -7.469 6.807 1.00 0.00 N ATOM 1207 CA ALA A 78 9.913 -8.231 8.012 1.00 0.00 C ATOM 1208 C ALA A 78 11.255 -8.886 7.678 1.00 0.00 C ATOM 1209 O ALA A 78 11.359 -9.635 6.726 1.00 0.00 O ATOM 1210 CB ALA A 78 8.819 -9.278 8.222 1.00 0.00 C ATOM 0 H ALA A 78 9.883 -7.851 5.937 1.00 0.00 H new ATOM 0 HA ALA A 78 10.023 -7.628 8.913 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.054 -9.878 9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.861 -8.779 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.761 -9.924 7.346 1.00 0.00 H new ATOM 1216 N GLU A 79 12.290 -8.587 8.419 1.00 0.00 N ATOM 1217 CA GLU A 79 13.637 -9.170 8.109 1.00 0.00 C ATOM 1218 C GLU A 79 13.546 -10.676 7.858 1.00 0.00 C ATOM 1219 O GLU A 79 14.420 -11.265 7.251 1.00 0.00 O ATOM 1220 CB GLU A 79 14.489 -8.884 9.345 1.00 0.00 C ATOM 1221 CG GLU A 79 15.157 -7.519 9.192 1.00 0.00 C ATOM 1222 CD GLU A 79 16.198 -7.332 10.297 1.00 0.00 C ATOM 1223 OE1 GLU A 79 15.800 -7.175 11.439 1.00 0.00 O ATOM 1224 OE2 GLU A 79 17.377 -7.348 9.983 1.00 0.00 O ATOM 0 H GLU A 79 12.264 -7.964 9.227 1.00 0.00 H new ATOM 0 HA GLU A 79 14.062 -8.735 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.868 -8.900 10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.245 -9.660 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.632 -7.443 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.409 -6.728 9.246 1.00 0.00 H new ATOM 1231 N LYS A 80 12.493 -11.295 8.314 1.00 0.00 N ATOM 1232 CA LYS A 80 12.316 -12.767 8.102 1.00 0.00 C ATOM 1233 C LYS A 80 12.731 -13.161 6.680 1.00 0.00 C ATOM 1234 O LYS A 80 13.312 -14.206 6.457 1.00 0.00 O ATOM 1235 CB LYS A 80 10.822 -13.005 8.293 1.00 0.00 C ATOM 1236 CG LYS A 80 10.550 -13.428 9.739 1.00 0.00 C ATOM 1237 CD LYS A 80 9.110 -13.069 10.115 1.00 0.00 C ATOM 1238 CE LYS A 80 9.058 -12.614 11.576 1.00 0.00 C ATOM 1239 NZ LYS A 80 8.318 -13.691 12.290 1.00 0.00 N ATOM 0 H LYS A 80 11.738 -10.843 8.830 1.00 0.00 H new ATOM 0 HA LYS A 80 12.927 -13.356 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.266 -12.097 8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.476 -13.777 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.710 -14.500 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.248 -12.930 10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.740 -12.277 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.460 -13.931 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.060 -12.486 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.549 -11.655 11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.242 -13.450 13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.365 -13.786 11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.829 -14.591 12.187 1.00 0.00 H new ATOM 1253 N HIS A 81 12.441 -12.324 5.720 1.00 0.00 N ATOM 1254 CA HIS A 81 12.819 -12.630 4.310 1.00 0.00 C ATOM 1255 C HIS A 81 12.920 -11.325 3.525 1.00 0.00 C ATOM 1256 O HIS A 81 12.092 -10.447 3.668 1.00 0.00 O ATOM 1257 CB HIS A 81 11.695 -13.517 3.751 1.00 0.00 C ATOM 1258 CG HIS A 81 10.356 -13.070 4.283 1.00 0.00 C ATOM 1259 ND1 HIS A 81 9.989 -11.735 4.345 1.00 0.00 N ATOM 1260 CD2 HIS A 81 9.288 -13.776 4.779 1.00 0.00 C ATOM 1261 CE1 HIS A 81 8.747 -11.679 4.862 1.00 0.00 C ATOM 1262 NE2 HIS A 81 8.274 -12.895 5.144 1.00 0.00 N ATOM 0 H HIS A 81 11.956 -11.437 5.853 1.00 0.00 H new ATOM 0 HA HIS A 81 13.782 -13.136 4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.694 -13.470 2.662 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.873 -14.557 4.025 1.00 0.00 H new ATOM 0 HD1 HIS A 81 10.556 -10.940 4.052 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.242 -14.851 4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.200 -10.762 5.028 1.00 0.00 H new ATOM 1270 N LEU A 82 13.931 -11.171 2.713 1.00 0.00 N ATOM 1271 CA LEU A 82 14.062 -9.902 1.957 1.00 0.00 C ATOM 1272 C LEU A 82 14.625 -10.149 0.555 1.00 0.00 C ATOM 1273 O LEU A 82 15.519 -10.951 0.361 1.00 0.00 O ATOM 1274 CB LEU A 82 15.014 -9.045 2.807 1.00 0.00 C ATOM 1275 CG LEU A 82 16.416 -9.644 2.821 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.405 -8.598 3.337 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.455 -10.869 3.743 1.00 0.00 C ATOM 0 H LEU A 82 14.662 -11.862 2.544 1.00 0.00 H new ATOM 0 HA LEU A 82 13.102 -9.411 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.051 -8.031 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.634 -8.974 3.826 1.00 0.00 H new ATOM 0 HG LEU A 82 16.685 -9.947 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.409 -9.022 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.387 -7.726 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.125 -8.300 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.460 -11.290 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.183 -10.571 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.749 -11.618 3.383 1.00 0.00 H new ATOM 1289 N PHE A 83 14.101 -9.463 -0.426 1.00 0.00 N ATOM 1290 CA PHE A 83 14.596 -9.645 -1.819 1.00 0.00 C ATOM 1291 C PHE A 83 15.398 -8.414 -2.253 1.00 0.00 C ATOM 1292 O PHE A 83 15.946 -7.711 -1.428 1.00 0.00 O ATOM 1293 CB PHE A 83 13.334 -9.825 -2.658 1.00 0.00 C ATOM 1294 CG PHE A 83 13.022 -11.298 -2.752 1.00 0.00 C ATOM 1295 CD1 PHE A 83 13.663 -12.084 -3.714 1.00 0.00 C ATOM 1296 CD2 PHE A 83 12.099 -11.877 -1.873 1.00 0.00 C ATOM 1297 CE1 PHE A 83 13.379 -13.452 -3.802 1.00 0.00 C ATOM 1298 CE2 PHE A 83 11.814 -13.245 -1.961 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.454 -14.033 -2.926 1.00 0.00 C ATOM 0 H PHE A 83 13.349 -8.782 -0.320 1.00 0.00 H new ATOM 0 HA PHE A 83 15.267 -10.497 -1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.499 -9.290 -2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.479 -9.405 -3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.377 -11.636 -4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.607 -11.269 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 83 13.873 -14.059 -4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.101 -13.693 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.234 -15.088 -2.994 1.00 0.00 H new ATOM 1309 N SER A 84 15.496 -8.154 -3.532 1.00 0.00 N ATOM 1310 CA SER A 84 16.293 -6.973 -3.985 1.00 0.00 C ATOM 1311 C SER A 84 15.390 -5.829 -4.474 1.00 0.00 C ATOM 1312 O SER A 84 15.872 -4.839 -4.987 1.00 0.00 O ATOM 1313 CB SER A 84 17.151 -7.500 -5.133 1.00 0.00 C ATOM 1314 OG SER A 84 17.705 -6.402 -5.847 1.00 0.00 O ATOM 0 H SER A 84 15.064 -8.702 -4.276 1.00 0.00 H new ATOM 0 HA SER A 84 16.886 -6.558 -3.170 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.947 -8.136 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.548 -8.116 -5.800 1.00 0.00 H new ATOM 0 HG SER A 84 17.419 -5.563 -5.430 1.00 0.00 H new ATOM 1320 N THR A 85 14.096 -5.942 -4.316 1.00 0.00 N ATOM 1321 CA THR A 85 13.186 -4.838 -4.765 1.00 0.00 C ATOM 1322 C THR A 85 11.780 -5.044 -4.189 1.00 0.00 C ATOM 1323 O THR A 85 11.407 -6.141 -3.825 1.00 0.00 O ATOM 1324 CB THR A 85 13.141 -4.912 -6.297 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.436 -5.184 -6.813 1.00 0.00 O ATOM 1326 CG2 THR A 85 12.643 -3.577 -6.852 1.00 0.00 C ATOM 0 H THR A 85 13.629 -6.746 -3.898 1.00 0.00 H new ATOM 0 HA THR A 85 13.545 -3.867 -4.423 1.00 0.00 H new ATOM 0 HB THR A 85 12.465 -5.713 -6.596 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.086 -4.574 -6.404 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.610 -3.625 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.644 -3.373 -6.467 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.320 -2.780 -6.545 1.00 0.00 H new ATOM 1334 N ILE A 86 10.995 -3.998 -4.102 1.00 0.00 N ATOM 1335 CA ILE A 86 9.616 -4.143 -3.543 1.00 0.00 C ATOM 1336 C ILE A 86 8.729 -5.033 -4.443 1.00 0.00 C ATOM 1337 O ILE A 86 8.174 -6.004 -3.968 1.00 0.00 O ATOM 1338 CB ILE A 86 9.077 -2.711 -3.458 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.521 -2.090 -2.132 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.545 -2.707 -3.527 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.780 -1.251 -2.359 1.00 0.00 C ATOM 0 H ILE A 86 11.249 -3.054 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 86 9.619 -4.635 -2.570 1.00 0.00 H new ATOM 0 HB ILE A 86 9.468 -2.135 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.724 -1.467 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.720 -2.873 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.181 -1.682 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.222 -3.151 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.142 -3.286 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.097 -0.808 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.576 -1.887 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.565 -0.460 -3.077 1.00 0.00 H new ATOM 1353 N PRO A 87 8.598 -4.680 -5.708 1.00 0.00 N ATOM 1354 CA PRO A 87 7.742 -5.473 -6.628 1.00 0.00 C ATOM 1355 C PRO A 87 8.111 -6.959 -6.596 1.00 0.00 C ATOM 1356 O PRO A 87 7.276 -7.803 -6.327 1.00 0.00 O ATOM 1357 CB PRO A 87 8.041 -4.845 -7.992 1.00 0.00 C ATOM 1358 CG PRO A 87 9.051 -3.699 -7.797 1.00 0.00 C ATOM 1359 CD PRO A 87 9.285 -3.503 -6.293 1.00 0.00 C ATOM 0 HA PRO A 87 6.684 -5.445 -6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.446 -5.594 -8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.124 -4.467 -8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.990 -3.933 -8.299 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.671 -2.780 -8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.346 -3.488 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.861 -2.565 -5.935 1.00 0.00 H new ATOM 1367 N GLU A 88 9.344 -7.295 -6.868 1.00 0.00 N ATOM 1368 CA GLU A 88 9.733 -8.734 -6.849 1.00 0.00 C ATOM 1369 C GLU A 88 9.453 -9.340 -5.468 1.00 0.00 C ATOM 1370 O GLU A 88 8.926 -10.430 -5.359 1.00 0.00 O ATOM 1371 CB GLU A 88 11.231 -8.758 -7.186 1.00 0.00 C ATOM 1372 CG GLU A 88 12.057 -8.232 -6.010 1.00 0.00 C ATOM 1373 CD GLU A 88 13.526 -8.140 -6.424 1.00 0.00 C ATOM 1374 OE1 GLU A 88 13.801 -7.486 -7.418 1.00 0.00 O ATOM 1375 OE2 GLU A 88 14.351 -8.727 -5.746 1.00 0.00 O ATOM 0 H GLU A 88 10.092 -6.642 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 88 9.164 -9.328 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.539 -9.776 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.420 -8.150 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.692 -7.252 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.950 -8.894 -5.151 1.00 0.00 H new ATOM 1382 N LEU A 89 9.789 -8.642 -4.414 1.00 0.00 N ATOM 1383 CA LEU A 89 9.535 -9.182 -3.044 1.00 0.00 C ATOM 1384 C LEU A 89 8.045 -9.484 -2.859 1.00 0.00 C ATOM 1385 O LEU A 89 7.668 -10.589 -2.524 1.00 0.00 O ATOM 1386 CB LEU A 89 9.986 -8.072 -2.089 1.00 0.00 C ATOM 1387 CG LEU A 89 10.185 -8.643 -0.685 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.992 -7.654 0.159 1.00 0.00 C ATOM 1389 CD2 LEU A 89 8.822 -8.877 -0.031 1.00 0.00 C ATOM 0 H LEU A 89 10.228 -7.722 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 89 10.069 -10.115 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.916 -7.629 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.242 -7.276 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 89 10.724 -9.588 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.134 -8.061 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.964 -7.487 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.454 -6.708 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.964 -9.284 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.283 -7.932 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.247 -9.582 -0.631 1.00 0.00 H new ATOM 1401 N ILE A 90 7.195 -8.514 -3.081 1.00 0.00 N ATOM 1402 CA ILE A 90 5.730 -8.760 -2.920 1.00 0.00 C ATOM 1403 C ILE A 90 5.303 -9.946 -3.791 1.00 0.00 C ATOM 1404 O ILE A 90 4.424 -10.706 -3.435 1.00 0.00 O ATOM 1405 CB ILE A 90 5.052 -7.471 -3.390 1.00 0.00 C ATOM 1406 CG1 ILE A 90 5.475 -6.315 -2.481 1.00 0.00 C ATOM 1407 CG2 ILE A 90 3.533 -7.634 -3.325 1.00 0.00 C ATOM 1408 CD1 ILE A 90 5.398 -5.001 -3.258 1.00 0.00 C ATOM 0 H ILE A 90 7.450 -7.568 -3.365 1.00 0.00 H new ATOM 0 HA ILE A 90 5.460 -9.003 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 90 5.350 -7.260 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.827 -6.271 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.490 -6.476 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.054 -6.714 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.228 -8.458 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.233 -7.846 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.699 -4.177 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.064 -5.048 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.375 -4.839 -3.599 1.00 0.00 H new ATOM 1420 N ASN A 91 5.928 -10.111 -4.927 1.00 0.00 N ATOM 1421 CA ASN A 91 5.568 -11.250 -5.821 1.00 0.00 C ATOM 1422 C ASN A 91 6.068 -12.567 -5.218 1.00 0.00 C ATOM 1423 O ASN A 91 5.396 -13.578 -5.269 1.00 0.00 O ATOM 1424 CB ASN A 91 6.282 -10.961 -7.143 1.00 0.00 C ATOM 1425 CG ASN A 91 5.369 -11.337 -8.312 1.00 0.00 C ATOM 1426 OD1 ASN A 91 5.279 -10.614 -9.284 1.00 0.00 O ATOM 1427 ND2 ASN A 91 4.683 -12.445 -8.256 1.00 0.00 N ATOM 0 H ASN A 91 6.672 -9.506 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 91 4.491 -11.347 -5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.548 -9.906 -7.201 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.212 -11.528 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.070 -12.705 -9.029 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.759 -13.051 -7.439 1.00 0.00 H new ATOM 1434 N TYR A 92 7.244 -12.559 -4.648 1.00 0.00 N ATOM 1435 CA TYR A 92 7.792 -13.809 -4.042 1.00 0.00 C ATOM 1436 C TYR A 92 6.952 -14.227 -2.832 1.00 0.00 C ATOM 1437 O TYR A 92 6.870 -15.392 -2.495 1.00 0.00 O ATOM 1438 CB TYR A 92 9.214 -13.451 -3.601 1.00 0.00 C ATOM 1439 CG TYR A 92 10.074 -13.166 -4.812 1.00 0.00 C ATOM 1440 CD1 TYR A 92 10.043 -14.029 -5.914 1.00 0.00 C ATOM 1441 CD2 TYR A 92 10.904 -12.040 -4.831 1.00 0.00 C ATOM 1442 CE1 TYR A 92 10.840 -13.766 -7.033 1.00 0.00 C ATOM 1443 CE2 TYR A 92 11.702 -11.777 -5.949 1.00 0.00 C ATOM 1444 CZ TYR A 92 11.671 -12.639 -7.051 1.00 0.00 C ATOM 1445 OH TYR A 92 12.457 -12.379 -8.154 1.00 0.00 O ATOM 0 H TYR A 92 7.849 -11.741 -4.576 1.00 0.00 H new ATOM 0 HA TYR A 92 7.778 -14.642 -4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.192 -12.579 -2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.643 -14.271 -3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.403 -14.899 -5.900 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.929 -11.373 -3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.814 -14.432 -7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.343 -10.908 -5.962 1.00 0.00 H new ATOM 0 HH TYR A 92 12.972 -11.559 -8.003 1.00 0.00 H new ATOM 1455 N HIS A 93 6.334 -13.284 -2.174 1.00 0.00 N ATOM 1456 CA HIS A 93 5.504 -13.625 -0.981 1.00 0.00 C ATOM 1457 C HIS A 93 4.163 -14.223 -1.413 1.00 0.00 C ATOM 1458 O HIS A 93 3.725 -15.227 -0.885 1.00 0.00 O ATOM 1459 CB HIS A 93 5.289 -12.296 -0.256 1.00 0.00 C ATOM 1460 CG HIS A 93 6.495 -11.985 0.586 1.00 0.00 C ATOM 1461 ND1 HIS A 93 7.775 -12.368 0.215 1.00 0.00 N ATOM 1462 CD2 HIS A 93 6.633 -11.329 1.784 1.00 0.00 C ATOM 1463 CE1 HIS A 93 8.619 -11.944 1.174 1.00 0.00 C ATOM 1464 NE2 HIS A 93 7.975 -11.303 2.153 1.00 0.00 N ATOM 0 H HIS A 93 6.367 -12.292 -2.410 1.00 0.00 H new ATOM 0 HA HIS A 93 5.987 -14.366 -0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 93 5.121 -11.498 -0.979 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.399 -12.351 0.371 1.00 0.00 H new ATOM 0 HD1 HIS A 93 8.030 -12.878 -0.631 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.823 -10.898 2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 93 9.687 -12.103 1.154 1.00 0.00 H new ATOM 1472 N GLN A 94 3.505 -13.615 -2.363 1.00 0.00 N ATOM 1473 CA GLN A 94 2.189 -14.152 -2.820 1.00 0.00 C ATOM 1474 C GLN A 94 2.385 -15.467 -3.579 1.00 0.00 C ATOM 1475 O GLN A 94 2.116 -16.534 -3.065 1.00 0.00 O ATOM 1476 CB GLN A 94 1.618 -13.078 -3.745 1.00 0.00 C ATOM 1477 CG GLN A 94 1.199 -11.860 -2.919 1.00 0.00 C ATOM 1478 CD GLN A 94 0.805 -10.719 -3.857 1.00 0.00 C ATOM 1479 OE1 GLN A 94 0.295 -10.950 -4.935 1.00 0.00 O ATOM 1480 NE2 GLN A 94 1.020 -9.485 -3.489 1.00 0.00 N ATOM 0 H GLN A 94 3.820 -12.771 -2.842 1.00 0.00 H new ATOM 0 HA GLN A 94 1.521 -14.366 -1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.363 -12.789 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.761 -13.472 -4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.362 -12.118 -2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.018 -11.547 -2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.448 -9.290 -2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.760 -8.716 -4.106 1.00 0.00 H new ATOM 1489 N HIS A 95 2.854 -15.397 -4.799 1.00 0.00 N ATOM 1490 CA HIS A 95 3.073 -16.639 -5.606 1.00 0.00 C ATOM 1491 C HIS A 95 1.781 -17.468 -5.675 1.00 0.00 C ATOM 1492 O HIS A 95 0.995 -17.321 -6.590 1.00 0.00 O ATOM 1493 CB HIS A 95 4.183 -17.407 -4.881 1.00 0.00 C ATOM 1494 CG HIS A 95 5.502 -17.140 -5.554 1.00 0.00 C ATOM 1495 ND1 HIS A 95 5.763 -15.954 -6.223 1.00 0.00 N ATOM 1496 CD2 HIS A 95 6.641 -17.895 -5.672 1.00 0.00 C ATOM 1497 CE1 HIS A 95 7.017 -16.030 -6.708 1.00 0.00 C ATOM 1498 NE2 HIS A 95 7.597 -17.193 -6.401 1.00 0.00 N ATOM 0 H HIS A 95 3.097 -14.528 -5.275 1.00 0.00 H new ATOM 0 HA HIS A 95 3.352 -16.414 -6.635 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.228 -17.101 -3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.967 -18.475 -4.892 1.00 0.00 H new ATOM 0 HD1 HIS A 95 5.122 -15.167 -6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.776 -18.885 -5.261 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.495 -15.246 -7.276 1.00 0.00 H new ATOM 1506 N ASN A 96 1.552 -18.330 -4.711 1.00 0.00 N ATOM 1507 CA ASN A 96 0.311 -19.168 -4.711 1.00 0.00 C ATOM 1508 C ASN A 96 0.309 -20.133 -5.903 1.00 0.00 C ATOM 1509 O ASN A 96 0.434 -21.330 -5.738 1.00 0.00 O ATOM 1510 CB ASN A 96 -0.854 -18.177 -4.810 1.00 0.00 C ATOM 1511 CG ASN A 96 -2.014 -18.663 -3.939 1.00 0.00 C ATOM 1512 OD1 ASN A 96 -1.807 -19.135 -2.839 1.00 0.00 O ATOM 1513 ND2 ASN A 96 -3.235 -18.567 -4.388 1.00 0.00 N ATOM 0 H ASN A 96 2.176 -18.489 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 96 0.239 -19.783 -3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.532 -17.187 -4.486 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.178 -18.083 -5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.016 -18.888 -3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.409 -18.171 -5.312 1.00 0.00 H new ATOM 1520 N SER A 97 0.168 -19.624 -7.097 1.00 0.00 N ATOM 1521 CA SER A 97 0.158 -20.517 -8.293 1.00 0.00 C ATOM 1522 C SER A 97 0.578 -19.736 -9.540 1.00 0.00 C ATOM 1523 O SER A 97 0.714 -18.529 -9.512 1.00 0.00 O ATOM 1524 CB SER A 97 -1.288 -20.992 -8.420 1.00 0.00 C ATOM 1525 OG SER A 97 -1.650 -21.716 -7.251 1.00 0.00 O ATOM 0 H SER A 97 0.059 -18.630 -7.297 1.00 0.00 H new ATOM 0 HA SER A 97 0.853 -21.350 -8.192 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.953 -20.138 -8.553 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.399 -21.623 -9.302 1.00 0.00 H new ATOM 0 HG SER A 97 -0.841 -21.978 -6.765 1.00 0.00 H new ATOM 1531 N ALA A 98 0.782 -20.417 -10.636 1.00 0.00 N ATOM 1532 CA ALA A 98 1.193 -19.716 -11.888 1.00 0.00 C ATOM 1533 C ALA A 98 0.094 -18.748 -12.336 1.00 0.00 C ATOM 1534 O ALA A 98 -0.924 -19.152 -12.865 1.00 0.00 O ATOM 1535 CB ALA A 98 1.385 -20.826 -12.922 1.00 0.00 C ATOM 0 H ALA A 98 0.682 -21.429 -10.719 1.00 0.00 H new ATOM 0 HA ALA A 98 2.100 -19.127 -11.752 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.689 -20.389 -13.873 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.156 -21.515 -12.577 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.448 -21.366 -13.054 1.00 0.00 H new ATOM 1541 N GLY A 99 0.294 -17.474 -12.130 1.00 0.00 N ATOM 1542 CA GLY A 99 -0.736 -16.479 -12.544 1.00 0.00 C ATOM 1543 C GLY A 99 -0.207 -15.651 -13.715 1.00 0.00 C ATOM 1544 O GLY A 99 0.922 -15.200 -13.708 1.00 0.00 O ATOM 0 H GLY A 99 1.127 -17.079 -11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.655 -16.990 -12.832 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.983 -15.827 -11.707 1.00 0.00 H new ATOM 1548 N LEU A 100 -1.013 -15.449 -14.722 1.00 0.00 N ATOM 1549 CA LEU A 100 -0.558 -14.649 -15.897 1.00 0.00 C ATOM 1550 C LEU A 100 -1.279 -13.299 -15.928 1.00 0.00 C ATOM 1551 O LEU A 100 -0.687 -12.275 -16.208 1.00 0.00 O ATOM 1552 CB LEU A 100 -0.937 -15.487 -17.119 1.00 0.00 C ATOM 1553 CG LEU A 100 0.282 -16.281 -17.595 1.00 0.00 C ATOM 1554 CD1 LEU A 100 0.189 -17.720 -17.087 1.00 0.00 C ATOM 1555 CD2 LEU A 100 0.323 -16.284 -19.126 1.00 0.00 C ATOM 0 H LEU A 100 -1.968 -15.803 -14.783 1.00 0.00 H new ATOM 0 HA LEU A 100 0.511 -14.438 -15.864 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.751 -16.167 -16.868 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.297 -14.840 -17.919 1.00 0.00 H new ATOM 0 HG LEU A 100 1.189 -15.818 -17.206 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.058 -18.283 -17.427 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.161 -17.720 -15.997 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.718 -18.184 -17.474 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.191 -16.849 -19.466 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.585 -16.746 -19.513 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.392 -15.259 -19.490 1.00 0.00 H new ATOM 1567 N ILE A 101 -2.553 -13.291 -15.642 1.00 0.00 N ATOM 1568 CA ILE A 101 -3.316 -12.008 -15.653 1.00 0.00 C ATOM 1569 C ILE A 101 -2.777 -11.061 -14.576 1.00 0.00 C ATOM 1570 O ILE A 101 -1.735 -11.296 -13.996 1.00 0.00 O ATOM 1571 CB ILE A 101 -4.765 -12.398 -15.354 1.00 0.00 C ATOM 1572 CG1 ILE A 101 -4.836 -13.139 -14.014 1.00 0.00 C ATOM 1573 CG2 ILE A 101 -5.287 -13.311 -16.465 1.00 0.00 C ATOM 1574 CD1 ILE A 101 -6.262 -13.073 -13.468 1.00 0.00 C ATOM 0 H ILE A 101 -3.100 -14.118 -15.401 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.228 -11.486 -16.606 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.376 -11.497 -15.302 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.533 -14.178 -14.145 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.142 -12.692 -13.302 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.319 -13.589 -16.252 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.242 -12.786 -17.419 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.672 -14.210 -16.516 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.312 -13.600 -12.515 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.548 -12.031 -13.322 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.945 -13.540 -14.177 1.00 0.00 H new ATOM 1586 N SER A 102 -3.481 -9.994 -14.306 1.00 0.00 N ATOM 1587 CA SER A 102 -3.011 -9.032 -13.266 1.00 0.00 C ATOM 1588 C SER A 102 -3.298 -9.583 -11.867 1.00 0.00 C ATOM 1589 O SER A 102 -4.426 -9.885 -11.529 1.00 0.00 O ATOM 1590 CB SER A 102 -3.815 -7.755 -13.515 1.00 0.00 C ATOM 1591 OG SER A 102 -2.976 -6.625 -13.315 1.00 0.00 O ATOM 0 H SER A 102 -4.360 -9.747 -14.760 1.00 0.00 H new ATOM 0 HA SER A 102 -1.937 -8.855 -13.323 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.211 -7.753 -14.531 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.669 -7.712 -12.840 1.00 0.00 H new ATOM 0 HG SER A 102 -3.488 -5.805 -13.476 1.00 0.00 H new ATOM 1597 N ARG A 103 -2.286 -9.712 -11.051 1.00 0.00 N ATOM 1598 CA ARG A 103 -2.499 -10.243 -9.672 1.00 0.00 C ATOM 1599 C ARG A 103 -2.925 -9.117 -8.721 1.00 0.00 C ATOM 1600 O ARG A 103 -3.233 -9.355 -7.569 1.00 0.00 O ATOM 1601 CB ARG A 103 -1.144 -10.816 -9.254 1.00 0.00 C ATOM 1602 CG ARG A 103 -1.048 -12.281 -9.690 1.00 0.00 C ATOM 1603 CD ARG A 103 -0.609 -13.144 -8.504 1.00 0.00 C ATOM 1604 NE ARG A 103 -1.786 -13.172 -7.592 1.00 0.00 N ATOM 1605 CZ ARG A 103 -1.997 -14.210 -6.831 1.00 0.00 C ATOM 1606 NH1 ARG A 103 -2.261 -15.370 -7.367 1.00 0.00 N ATOM 1607 NH2 ARG A 103 -1.945 -14.088 -5.532 1.00 0.00 N ATOM 0 H ARG A 103 -1.321 -9.473 -11.279 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.288 -10.994 -9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.338 -10.238 -9.707 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.023 -10.739 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -2.013 -12.623 -10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.335 -12.381 -10.509 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.336 -14.149 -8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.264 -12.720 -8.009 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.427 -12.379 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.302 -15.465 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.426 -16.181 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.739 -13.181 -5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.110 -14.900 -4.937 1.00 0.00 H new ATOM 1621 N LEU A 104 -2.950 -7.895 -9.190 1.00 0.00 N ATOM 1622 CA LEU A 104 -3.361 -6.765 -8.306 1.00 0.00 C ATOM 1623 C LEU A 104 -4.870 -6.813 -8.057 1.00 0.00 C ATOM 1624 O LEU A 104 -5.579 -7.605 -8.647 1.00 0.00 O ATOM 1625 CB LEU A 104 -2.983 -5.496 -9.074 1.00 0.00 C ATOM 1626 CG LEU A 104 -2.818 -4.331 -8.091 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -1.491 -3.617 -8.360 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -3.974 -3.342 -8.270 1.00 0.00 C ATOM 0 H LEU A 104 -2.704 -7.633 -10.144 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.875 -6.807 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.056 -5.655 -9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.753 -5.260 -9.808 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.823 -4.716 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.375 -2.789 -7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.667 -4.319 -8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.484 -3.234 -9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.856 -2.514 -7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.970 -2.959 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.920 -3.849 -8.076 1.00 0.00 H new ATOM 1640 N LYS A 105 -5.367 -5.976 -7.186 1.00 0.00 N ATOM 1641 CA LYS A 105 -6.830 -5.980 -6.900 1.00 0.00 C ATOM 1642 C LYS A 105 -7.531 -4.844 -7.656 1.00 0.00 C ATOM 1643 O LYS A 105 -8.124 -5.062 -8.694 1.00 0.00 O ATOM 1644 CB LYS A 105 -6.940 -5.781 -5.392 1.00 0.00 C ATOM 1645 CG LYS A 105 -6.594 -7.088 -4.677 1.00 0.00 C ATOM 1646 CD LYS A 105 -7.867 -7.910 -4.469 1.00 0.00 C ATOM 1647 CE LYS A 105 -7.495 -9.359 -4.146 1.00 0.00 C ATOM 1648 NZ LYS A 105 -7.597 -10.079 -5.446 1.00 0.00 N ATOM 0 H LYS A 105 -4.824 -5.291 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.309 -6.905 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.265 -4.988 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.950 -5.467 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.874 -7.657 -5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.125 -6.876 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.457 -7.486 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.486 -7.874 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.488 -9.426 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.171 -9.785 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.356 -11.081 -5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.568 -10.003 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.937 -9.656 -6.130 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.475 -3.632 -7.153 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.152 -2.510 -7.872 1.00 0.00 C ATOM 1664 C TYR A 106 -7.204 -1.308 -8.003 1.00 0.00 C ATOM 1665 O TYR A 106 -6.985 -0.594 -7.045 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.361 -2.149 -7.011 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.151 -1.062 -7.698 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.750 0.272 -7.576 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.281 -1.389 -8.457 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.479 1.284 -8.215 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -12.010 -0.378 -9.095 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.609 0.959 -8.974 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.329 1.955 -9.603 1.00 0.00 O ATOM 0 H TYR A 106 -6.997 -3.376 -6.289 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.445 -2.792 -8.883 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.987 -3.027 -6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.035 -1.812 -6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.878 0.522 -6.989 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.590 -2.420 -8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.169 2.314 -8.122 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.882 -0.629 -9.681 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.806 2.784 -9.607 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.667 -1.119 -9.187 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.738 0.010 -9.429 1.00 0.00 C ATOM 1685 C PRO A 107 -6.448 1.359 -9.296 1.00 0.00 C ATOM 1686 O PRO A 107 -7.090 1.824 -10.217 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.292 -0.220 -10.873 1.00 0.00 C ATOM 1688 CG PRO A 107 -5.994 -1.479 -11.415 1.00 0.00 C ATOM 1689 CD PRO A 107 -6.943 -2.016 -10.336 1.00 0.00 C ATOM 0 HA PRO A 107 -4.916 0.042 -8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.541 0.645 -11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.210 -0.342 -10.919 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.549 -1.241 -12.322 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.258 -2.237 -11.682 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.985 -1.963 -10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.735 -3.059 -10.096 1.00 0.00 H new ATOM 1697 N VAL A 108 -6.312 1.998 -8.167 1.00 0.00 N ATOM 1698 CA VAL A 108 -6.938 3.334 -7.973 1.00 0.00 C ATOM 1699 C VAL A 108 -5.823 4.365 -7.748 1.00 0.00 C ATOM 1700 O VAL A 108 -4.719 4.009 -7.383 1.00 0.00 O ATOM 1701 CB VAL A 108 -7.818 3.178 -6.733 1.00 0.00 C ATOM 1702 CG1 VAL A 108 -6.957 2.820 -5.523 1.00 0.00 C ATOM 1703 CG2 VAL A 108 -8.560 4.490 -6.463 1.00 0.00 C ATOM 0 H VAL A 108 -5.789 1.648 -7.364 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.527 3.672 -8.826 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.540 2.380 -6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.592 2.711 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.435 1.882 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.228 3.612 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.187 4.378 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.838 5.289 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.184 4.738 -7.321 1.00 0.00 H new ATOM 1713 N SER A 109 -6.079 5.629 -7.965 1.00 0.00 N ATOM 1714 CA SER A 109 -4.999 6.636 -7.760 1.00 0.00 C ATOM 1715 C SER A 109 -5.129 7.274 -6.384 1.00 0.00 C ATOM 1716 O SER A 109 -4.342 7.018 -5.493 1.00 0.00 O ATOM 1717 CB SER A 109 -5.202 7.693 -8.846 1.00 0.00 C ATOM 1718 OG SER A 109 -5.000 7.110 -10.125 1.00 0.00 O ATOM 0 H SER A 109 -6.977 6.003 -8.271 1.00 0.00 H new ATOM 0 HA SER A 109 -4.011 6.180 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.208 8.108 -8.780 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.506 8.519 -8.698 1.00 0.00 H new ATOM 0 HG SER A 109 -5.851 7.081 -10.609 1.00 0.00 H new ATOM 1724 N GLN A 110 -6.111 8.114 -6.207 1.00 0.00 N ATOM 1725 CA GLN A 110 -6.288 8.787 -4.898 1.00 0.00 C ATOM 1726 C GLN A 110 -7.546 9.662 -4.927 1.00 0.00 C ATOM 1727 O GLN A 110 -8.528 9.310 -5.547 1.00 0.00 O ATOM 1728 CB GLN A 110 -5.022 9.635 -4.735 1.00 0.00 C ATOM 1729 CG GLN A 110 -4.763 10.418 -6.024 1.00 0.00 C ATOM 1730 CD GLN A 110 -3.681 11.471 -5.776 1.00 0.00 C ATOM 1731 OE1 GLN A 110 -3.864 12.631 -6.086 1.00 0.00 O ATOM 1732 NE2 GLN A 110 -2.555 11.112 -5.224 1.00 0.00 N ATOM 0 H GLN A 110 -6.799 8.362 -6.918 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.418 8.090 -4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.137 10.322 -3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.169 8.995 -4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.449 9.739 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -5.682 10.898 -6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.402 10.138 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.827 11.806 -5.052 1.00 0.00 H new ATOM 1741 N GLN A 111 -7.528 10.792 -4.261 1.00 0.00 N ATOM 1742 CA GLN A 111 -8.727 11.684 -4.254 1.00 0.00 C ATOM 1743 C GLN A 111 -9.215 11.932 -5.687 1.00 0.00 C ATOM 1744 O GLN A 111 -8.797 12.857 -6.353 1.00 0.00 O ATOM 1745 CB GLN A 111 -8.243 12.981 -3.613 1.00 0.00 C ATOM 1746 CG GLN A 111 -8.277 12.842 -2.090 1.00 0.00 C ATOM 1747 CD GLN A 111 -8.296 14.230 -1.450 1.00 0.00 C ATOM 1748 OE1 GLN A 111 -8.863 15.156 -1.995 1.00 0.00 O ATOM 1749 NE2 GLN A 111 -7.696 14.416 -0.306 1.00 0.00 N ATOM 0 H GLN A 111 -6.733 11.134 -3.722 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.566 11.249 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -7.230 13.207 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -8.875 13.812 -3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.159 12.278 -1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.407 12.283 -1.746 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.220 13.639 0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.703 15.338 0.130 1.00 0.00 H new ATOM 1758 N ASN A 112 -10.094 11.091 -6.155 1.00 0.00 N ATOM 1759 CA ASN A 112 -10.639 11.216 -7.538 1.00 0.00 C ATOM 1760 C ASN A 112 -11.512 9.992 -7.824 1.00 0.00 C ATOM 1761 O ASN A 112 -12.546 10.082 -8.454 1.00 0.00 O ATOM 1762 CB ASN A 112 -9.420 11.236 -8.466 1.00 0.00 C ATOM 1763 CG ASN A 112 -9.256 12.634 -9.067 1.00 0.00 C ATOM 1764 OD1 ASN A 112 -10.224 13.345 -9.253 1.00 0.00 O ATOM 1765 ND2 ASN A 112 -8.063 13.061 -9.380 1.00 0.00 N ATOM 0 H ASN A 112 -10.467 10.303 -5.625 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.246 12.111 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -8.523 10.960 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.543 10.500 -9.260 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -7.943 13.991 -9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.251 12.464 -9.224 1.00 0.00 H new ATOM 1772 N LYS A 113 -11.095 8.847 -7.339 1.00 0.00 N ATOM 1773 CA LYS A 113 -11.884 7.593 -7.544 1.00 0.00 C ATOM 1774 C LYS A 113 -12.062 7.308 -9.034 1.00 0.00 C ATOM 1775 O LYS A 113 -12.778 8.000 -9.729 1.00 0.00 O ATOM 1776 CB LYS A 113 -13.234 7.849 -6.868 1.00 0.00 C ATOM 1777 CG LYS A 113 -13.001 8.383 -5.451 1.00 0.00 C ATOM 1778 CD LYS A 113 -12.225 7.348 -4.628 1.00 0.00 C ATOM 1779 CE LYS A 113 -10.805 7.854 -4.344 1.00 0.00 C ATOM 1780 NZ LYS A 113 -9.905 6.725 -4.716 1.00 0.00 N ATOM 0 H LYS A 113 -10.234 8.728 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 113 -11.383 6.722 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -13.813 8.567 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.815 6.927 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.445 9.320 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -13.956 8.600 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.745 7.155 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.181 6.402 -5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.580 8.746 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.686 8.123 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.030 7.102 -5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -9.673 6.172 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.384 6.113 -5.407 1.00 0.00 H new ATOM 1794 N ASN A 114 -11.408 6.289 -9.527 1.00 0.00 N ATOM 1795 CA ASN A 114 -11.525 5.949 -10.969 1.00 0.00 C ATOM 1796 C ASN A 114 -10.779 4.646 -11.254 1.00 0.00 C ATOM 1797 O ASN A 114 -10.375 3.943 -10.348 1.00 0.00 O ATOM 1798 CB ASN A 114 -10.870 7.121 -11.703 1.00 0.00 C ATOM 1799 CG ASN A 114 -9.398 7.231 -11.295 1.00 0.00 C ATOM 1800 OD1 ASN A 114 -9.088 7.820 -10.173 1.00 0.00 O flip ATOM 1801 ND2 ASN A 114 -8.523 6.776 -12.005 1.00 0.00 N flip ATOM 0 H ASN A 114 -10.796 5.677 -8.987 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.558 5.801 -11.285 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.948 6.977 -12.781 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.393 8.048 -11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.766 6.316 -12.882 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -7.546 6.855 -11.724 1.00 0.00 H new ATOM 1808 N ALA A 115 -10.586 4.322 -12.506 1.00 0.00 N ATOM 1809 CA ALA A 115 -9.858 3.065 -12.854 1.00 0.00 C ATOM 1810 C ALA A 115 -9.857 2.844 -14.378 1.00 0.00 C ATOM 1811 O ALA A 115 -8.802 2.723 -14.968 1.00 0.00 O ATOM 1812 CB ALA A 115 -10.606 1.940 -12.134 1.00 0.00 C ATOM 0 H ALA A 115 -10.901 4.874 -13.304 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.813 3.104 -12.547 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.122 0.987 -12.347 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.590 2.122 -11.059 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -11.639 1.909 -12.482 1.00 0.00 H new ATOM 1818 N PRO A 116 -11.028 2.800 -14.985 1.00 0.00 N ATOM 1819 CA PRO A 116 -11.100 2.595 -16.453 1.00 0.00 C ATOM 1820 C PRO A 116 -10.390 3.737 -17.187 1.00 0.00 C ATOM 1821 O PRO A 116 -10.305 4.845 -16.693 1.00 0.00 O ATOM 1822 CB PRO A 116 -12.607 2.616 -16.729 1.00 0.00 C ATOM 1823 CG PRO A 116 -13.351 2.834 -15.398 1.00 0.00 C ATOM 1824 CD PRO A 116 -12.322 2.946 -14.267 1.00 0.00 C ATOM 0 HA PRO A 116 -10.618 1.678 -16.790 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -12.851 3.412 -17.433 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -12.920 1.678 -17.187 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.956 3.739 -15.448 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -14.033 2.005 -15.207 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -12.392 3.903 -13.750 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -12.459 2.167 -13.517 1.00 0.00 H new ATOM 1832 N SER A 117 -9.880 3.476 -18.360 1.00 0.00 N ATOM 1833 CA SER A 117 -9.174 4.545 -19.124 1.00 0.00 C ATOM 1834 C SER A 117 -9.016 4.132 -20.590 1.00 0.00 C ATOM 1835 O SER A 117 -9.545 4.764 -21.483 1.00 0.00 O ATOM 1836 CB SER A 117 -7.809 4.674 -18.453 1.00 0.00 C ATOM 1837 OG SER A 117 -6.957 5.471 -19.267 1.00 0.00 O ATOM 0 H SER A 117 -9.922 2.568 -18.823 1.00 0.00 H new ATOM 0 HA SER A 117 -9.722 5.487 -19.118 1.00 0.00 H new ATOM 0 HB2 SER A 117 -7.917 5.127 -17.467 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.370 3.688 -18.304 1.00 0.00 H new ATOM 0 HG SER A 117 -6.080 5.557 -18.837 1.00 0.00 H new ATOM 1843 N THR A 118 -8.290 3.076 -20.842 1.00 0.00 N ATOM 1844 CA THR A 118 -8.096 2.621 -22.251 1.00 0.00 C ATOM 1845 C THR A 118 -9.429 2.164 -22.848 1.00 0.00 C ATOM 1846 O THR A 118 -10.406 2.141 -22.117 1.00 0.00 O ATOM 1847 CB THR A 118 -7.118 1.448 -22.161 1.00 0.00 C ATOM 1848 OG1 THR A 118 -6.099 1.753 -21.219 1.00 0.00 O ATOM 1849 CG2 THR A 118 -6.489 1.198 -23.532 1.00 0.00 C ATOM 0 H THR A 118 -7.823 2.509 -20.135 1.00 0.00 H new ATOM 0 HA THR A 118 -7.717 3.417 -22.892 1.00 0.00 H new ATOM 0 HB THR A 118 -7.653 0.554 -21.841 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.473 1.001 -21.159 1.00 0.00 H new ATOM 0 HG21 THR A 118 -5.793 0.362 -23.466 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.271 0.962 -24.254 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.954 2.091 -23.855 1.00 0.00 H new TER 1857 THR A 118