USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1084 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 101 MET CE :methyl 149:sc= -0.172 (180deg=-0.216) USER MOD Set 1.2: A 106 GLN : amide:sc= -4.09! C(o=-4.3!,f=-15!) USER MOD Set 2.1: A 1 SER OG : rot -126:sc= 0.858 USER MOD Set 2.2: A 3 THR OG1 : rot 124:sc= 1.73 USER MOD Single : A 1 SER N :NH3+ -99:sc= 0.0787 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0.362 K(o=0.36,f=-0.47) USER MOD Single : A 10 SER OG : rot -84:sc= 0.793 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.44 F(o=-3.2!,f=-1.4) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= -0.0013 (180deg=-0.0812) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0.828 (180deg=0.417) USER MOD Single : A 37 SER OG : rot -153:sc= -0.583 USER MOD Single : A 40 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.7) USER MOD Single : A 42 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -61:sc= 0.32 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.381 F(o=-1.3,f=-0.38) USER MOD Single : A 52 GLN : amide:sc=-0.00893 K(o=-0.0089,f=-2.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 60 GLN : amide:sc= -1.79! X(o=-1.8!,f=-1.9) USER MOD Single : A 63 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.059) USER MOD Single : A 67 ASN : amide:sc=-0.00306 K(o=-0.0031,f=-0.96) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 74 SER OG : rot -125:sc= -0.132 USER MOD Single : A 75 SER OG : rot 180:sc= 0.00794 USER MOD Single : A 76 GLN : amide:sc= -1.26 K(o=-1.3,f=-6.2!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.098 USER MOD Single : A 82 ASN :FLIP amide:sc= -1.28 F(o=-2.8!,f=-1.3) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 105 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.6) USER MOD Single : A 108 GLN : amide:sc= -1.43! C(o=-1.4!,f=-6.3!) USER MOD Single : A 111 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.1) USER MOD Single : A 113 MET CE :methyl -109:sc= -1 (180deg=-1.26) USER MOD Single : A 114 LYS NZ :NH3+ -133:sc= 0.822 (180deg=-0.017) USER MOD Single : A 117 SER OG : rot -98:sc= 0.853 USER MOD Single : A 118 TYR OH : rot 13:sc= 0.782 USER MOD Single : A 123 LYS NZ :NH3+ -171:sc=-0.00604 (180deg=-0.113) USER MOD Single : A 124 SER OG : rot 79:sc= 1.16 USER MOD Single : A 127 TYR OH : rot 180:sc= -0.0848 USER MOD Single : A 130 CYS SG : rot -140:sc= -3.82! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.897 -2.898 8.247 1.00 0.00 N ATOM 2 CA SER A 1 -16.373 -2.945 8.213 1.00 0.00 C ATOM 3 C SER A 1 -16.863 -4.286 8.752 1.00 0.00 C ATOM 4 O SER A 1 -16.147 -5.286 8.675 1.00 0.00 O ATOM 5 CB SER A 1 -16.874 -2.731 6.777 1.00 0.00 C ATOM 6 OG SER A 1 -18.289 -2.810 6.701 1.00 0.00 O ATOM 0 H1 SER A 1 -14.586 -2.374 9.090 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.520 -3.866 8.282 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.545 -2.420 7.393 1.00 0.00 H new ATOM 0 HA SER A 1 -16.769 -2.148 8.842 1.00 0.00 H new ATOM 0 HB2 SER A 1 -16.543 -1.757 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 1 -16.431 -3.480 6.121 1.00 0.00 H new ATOM 0 HG SER A 1 -18.544 -3.465 6.018 1.00 0.00 H new ATOM 14 N MET A 2 -18.072 -4.297 9.314 1.00 0.00 N ATOM 15 CA MET A 2 -18.690 -5.532 9.791 1.00 0.00 C ATOM 16 C MET A 2 -19.042 -6.419 8.601 1.00 0.00 C ATOM 17 O MET A 2 -18.947 -7.647 8.671 1.00 0.00 O ATOM 18 CB MET A 2 -19.947 -5.231 10.624 1.00 0.00 C ATOM 19 CG MET A 2 -19.665 -4.469 11.913 1.00 0.00 C ATOM 20 SD MET A 2 -18.540 -5.359 13.010 1.00 0.00 S ATOM 21 CE MET A 2 -18.492 -4.253 14.420 1.00 0.00 C ATOM 0 H MET A 2 -18.643 -3.463 9.450 1.00 0.00 H new ATOM 0 HA MET A 2 -17.980 -6.054 10.433 1.00 0.00 H new ATOM 0 HB2 MET A 2 -20.644 -4.653 10.017 1.00 0.00 H new ATOM 0 HB3 MET A 2 -20.442 -6.171 10.870 1.00 0.00 H new ATOM 0 HG2 MET A 2 -19.237 -3.496 11.670 1.00 0.00 H new ATOM 0 HG3 MET A 2 -20.604 -4.283 12.434 1.00 0.00 H new ATOM 0 HE1 MET A 2 -17.836 -4.667 15.185 1.00 0.00 H new ATOM 0 HE2 MET A 2 -18.115 -3.280 14.106 1.00 0.00 H new ATOM 0 HE3 MET A 2 -19.497 -4.139 14.827 1.00 0.00 H new ATOM 31 N THR A 3 -19.433 -5.778 7.505 1.00 0.00 N ATOM 32 CA THR A 3 -19.704 -6.470 6.255 1.00 0.00 C ATOM 33 C THR A 3 -18.390 -6.811 5.546 1.00 0.00 C ATOM 34 O THR A 3 -17.328 -6.301 5.918 1.00 0.00 O ATOM 35 CB THR A 3 -20.600 -5.606 5.335 1.00 0.00 C ATOM 36 OG1 THR A 3 -20.056 -4.281 5.227 1.00 0.00 O ATOM 37 CG2 THR A 3 -22.025 -5.526 5.872 1.00 0.00 C ATOM 0 H THR A 3 -19.570 -4.768 7.460 1.00 0.00 H new ATOM 0 HA THR A 3 -20.235 -7.395 6.480 1.00 0.00 H new ATOM 0 HB THR A 3 -20.626 -6.076 4.352 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.901 -4.067 4.283 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.631 -4.913 5.205 1.00 0.00 H new ATOM 0 HG22 THR A 3 -22.449 -6.528 5.929 1.00 0.00 H new ATOM 0 HG23 THR A 3 -22.015 -5.080 6.866 1.00 0.00 H new ATOM 45 N GLU A 4 -18.460 -7.677 4.540 1.00 0.00 N ATOM 46 CA GLU A 4 -17.267 -8.114 3.816 1.00 0.00 C ATOM 47 C GLU A 4 -16.764 -7.025 2.870 1.00 0.00 C ATOM 48 O GLU A 4 -15.563 -6.927 2.609 1.00 0.00 O ATOM 49 CB GLU A 4 -17.560 -9.401 3.035 1.00 0.00 C ATOM 50 CG GLU A 4 -16.382 -9.894 2.198 1.00 0.00 C ATOM 51 CD GLU A 4 -16.604 -11.276 1.603 1.00 0.00 C ATOM 52 OE1 GLU A 4 -17.554 -11.449 0.814 1.00 0.00 O ATOM 53 OE2 GLU A 4 -15.819 -12.198 1.923 1.00 0.00 O ATOM 0 H GLU A 4 -19.330 -8.091 4.206 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.484 -8.313 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.848 -10.184 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.414 -9.231 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.196 -9.184 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.486 -9.913 2.819 1.00 0.00 H new ATOM 60 N GLU A 5 -17.694 -6.213 2.366 1.00 0.00 N ATOM 61 CA GLU A 5 -17.379 -5.172 1.385 1.00 0.00 C ATOM 62 C GLU A 5 -16.739 -5.808 0.152 1.00 0.00 C ATOM 63 O GLU A 5 -15.540 -5.667 -0.098 1.00 0.00 O ATOM 64 CB GLU A 5 -16.467 -4.086 1.988 1.00 0.00 C ATOM 65 CG GLU A 5 -17.073 -3.357 3.185 1.00 0.00 C ATOM 66 CD GLU A 5 -18.318 -2.547 2.833 1.00 0.00 C ATOM 67 OE1 GLU A 5 -19.418 -3.135 2.755 1.00 0.00 O ATOM 68 OE2 GLU A 5 -18.206 -1.315 2.654 1.00 0.00 O ATOM 0 H GLU A 5 -18.680 -6.257 2.623 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.306 -4.680 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.527 -4.545 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.229 -3.356 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.328 -4.086 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.324 -2.691 3.613 1.00 0.00 H new ATOM 75 N GLN A 6 -17.564 -6.533 -0.597 1.00 0.00 N ATOM 76 CA GLN A 6 -17.108 -7.316 -1.745 1.00 0.00 C ATOM 77 C GLN A 6 -16.574 -6.439 -2.890 1.00 0.00 C ATOM 78 O GLN A 6 -15.552 -6.778 -3.491 1.00 0.00 O ATOM 79 CB GLN A 6 -18.242 -8.225 -2.240 1.00 0.00 C ATOM 80 CG GLN A 6 -18.757 -9.169 -1.162 1.00 0.00 C ATOM 81 CD GLN A 6 -19.875 -10.078 -1.637 1.00 0.00 C ATOM 82 OE1 GLN A 6 -20.666 -9.716 -2.510 1.00 0.00 O ATOM 83 NE2 GLN A 6 -19.943 -11.267 -1.063 1.00 0.00 N ATOM 0 H GLN A 6 -18.568 -6.596 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.271 -7.928 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -19.065 -7.608 -2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -17.888 -8.810 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.930 -9.781 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -19.112 -8.582 -0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.267 -11.526 -0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -20.671 -11.926 -1.339 1.00 0.00 H new ATOM 92 N PRO A 7 -17.251 -5.313 -3.237 1.00 0.00 N ATOM 93 CA PRO A 7 -16.763 -4.406 -4.288 1.00 0.00 C ATOM 94 C PRO A 7 -15.433 -3.740 -3.910 1.00 0.00 C ATOM 95 O PRO A 7 -14.735 -4.182 -2.996 1.00 0.00 O ATOM 96 CB PRO A 7 -17.886 -3.359 -4.415 1.00 0.00 C ATOM 97 CG PRO A 7 -18.601 -3.410 -3.108 1.00 0.00 C ATOM 98 CD PRO A 7 -18.534 -4.845 -2.667 1.00 0.00 C ATOM 0 HA PRO A 7 -16.557 -4.933 -5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -17.481 -2.365 -4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -18.556 -3.595 -5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -18.129 -2.753 -2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -19.635 -3.080 -3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.548 -4.934 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.377 -5.423 -3.045 1.00 0.00 H new ATOM 106 N VAL A 8 -15.092 -2.661 -4.609 1.00 0.00 N ATOM 107 CA VAL A 8 -13.837 -1.948 -4.369 1.00 0.00 C ATOM 108 C VAL A 8 -13.759 -1.400 -2.938 1.00 0.00 C ATOM 109 O VAL A 8 -12.701 -0.971 -2.489 1.00 0.00 O ATOM 110 CB VAL A 8 -13.648 -0.790 -5.377 1.00 0.00 C ATOM 111 CG1 VAL A 8 -13.591 -1.321 -6.809 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.757 0.246 -5.221 1.00 0.00 C ATOM 0 H VAL A 8 -15.668 -2.259 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.035 -2.673 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.697 -0.302 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.458 -0.489 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.754 -2.012 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.520 -1.841 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.606 1.052 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.723 -0.225 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.736 0.652 -4.210 1.00 0.00 H new ATOM 122 N ALA A 9 -14.883 -1.432 -2.223 1.00 0.00 N ATOM 123 CA ALA A 9 -14.929 -0.996 -0.826 1.00 0.00 C ATOM 124 C ALA A 9 -14.003 -1.847 0.048 1.00 0.00 C ATOM 125 O ALA A 9 -13.680 -1.475 1.177 1.00 0.00 O ATOM 126 CB ALA A 9 -16.361 -1.055 -0.308 1.00 0.00 C ATOM 0 H ALA A 9 -15.778 -1.757 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.578 0.035 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.386 -0.729 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.992 -0.400 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.731 -2.078 -0.376 1.00 0.00 H new ATOM 132 N SER A 10 -13.570 -2.985 -0.495 1.00 0.00 N ATOM 133 CA SER A 10 -12.650 -3.887 0.193 1.00 0.00 C ATOM 134 C SER A 10 -11.334 -3.185 0.558 1.00 0.00 C ATOM 135 O SER A 10 -10.581 -3.667 1.408 1.00 0.00 O ATOM 136 CB SER A 10 -12.387 -5.124 -0.680 1.00 0.00 C ATOM 137 OG SER A 10 -12.110 -4.761 -2.027 1.00 0.00 O ATOM 0 H SER A 10 -13.847 -3.306 -1.423 1.00 0.00 H new ATOM 0 HA SER A 10 -13.114 -4.202 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.546 -5.686 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.255 -5.783 -0.651 1.00 0.00 H new ATOM 0 HG SER A 10 -12.952 -4.643 -2.514 1.00 0.00 H new ATOM 143 N TRP A 11 -11.062 -2.044 -0.081 1.00 0.00 N ATOM 144 CA TRP A 11 -9.877 -1.247 0.240 1.00 0.00 C ATOM 145 C TRP A 11 -9.942 -0.766 1.690 1.00 0.00 C ATOM 146 O TRP A 11 -8.923 -0.673 2.376 1.00 0.00 O ATOM 147 CB TRP A 11 -9.762 -0.028 -0.685 1.00 0.00 C ATOM 148 CG TRP A 11 -9.758 -0.348 -2.153 1.00 0.00 C ATOM 149 CD1 TRP A 11 -9.363 -1.508 -2.757 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.162 0.534 -3.204 1.00 0.00 C ATOM 151 NE1 TRP A 11 -9.514 -1.402 -4.119 1.00 0.00 N ATOM 152 CE2 TRP A 11 -10.001 -0.156 -4.417 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.652 1.840 -3.230 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -10.312 0.421 -5.646 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -10.959 2.414 -4.446 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.789 1.705 -5.641 1.00 0.00 C ATOM 0 H TRP A 11 -11.645 -1.653 -0.821 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.003 -1.882 0.098 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.592 0.647 -0.477 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.845 0.509 -0.442 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.988 -2.379 -2.241 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -9.299 -2.132 -4.798 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.789 2.393 -2.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.182 -0.124 -6.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.336 3.426 -4.477 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.039 2.180 -6.578 1.00 0.00 H new ATOM 167 N ALA A 12 -11.160 -0.479 2.148 1.00 0.00 N ATOM 168 CA ALA A 12 -11.389 0.042 3.496 1.00 0.00 C ATOM 169 C ALA A 12 -11.134 -1.026 4.562 1.00 0.00 C ATOM 170 O ALA A 12 -11.189 -0.746 5.761 1.00 0.00 O ATOM 171 CB ALA A 12 -12.809 0.586 3.612 1.00 0.00 C ATOM 0 H ALA A 12 -12.011 -0.600 1.599 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.682 0.853 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.970 0.971 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.951 1.389 2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.522 -0.213 3.411 1.00 0.00 H new ATOM 177 N LEU A 13 -10.871 -2.255 4.123 1.00 0.00 N ATOM 178 CA LEU A 13 -10.543 -3.342 5.039 1.00 0.00 C ATOM 179 C LEU A 13 -9.072 -3.273 5.446 1.00 0.00 C ATOM 180 O LEU A 13 -8.719 -3.558 6.592 1.00 0.00 O ATOM 181 CB LEU A 13 -10.846 -4.704 4.397 1.00 0.00 C ATOM 182 CG LEU A 13 -12.314 -4.935 3.995 1.00 0.00 C ATOM 183 CD1 LEU A 13 -12.488 -6.307 3.349 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.240 -4.784 5.203 1.00 0.00 C ATOM 0 H LEU A 13 -10.879 -2.522 3.139 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.161 -3.232 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.223 -4.815 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.551 -5.488 5.094 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.587 -4.176 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.533 -6.449 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.865 -6.371 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.191 -7.082 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.272 -4.952 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.966 -5.514 5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.143 -3.779 5.612 1.00 0.00 H new ATOM 196 N SER A 14 -8.220 -2.875 4.506 1.00 0.00 N ATOM 197 CA SER A 14 -6.784 -2.802 4.750 1.00 0.00 C ATOM 198 C SER A 14 -6.110 -1.865 3.754 1.00 0.00 C ATOM 199 O SER A 14 -6.404 -1.897 2.554 1.00 0.00 O ATOM 200 CB SER A 14 -6.151 -4.197 4.664 1.00 0.00 C ATOM 201 OG SER A 14 -4.740 -4.136 4.806 1.00 0.00 O ATOM 0 H SER A 14 -8.501 -2.597 3.566 1.00 0.00 H new ATOM 0 HA SER A 14 -6.635 -2.407 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.569 -4.836 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.402 -4.654 3.707 1.00 0.00 H new ATOM 0 HG SER A 14 -4.366 -5.040 4.749 1.00 0.00 H new ATOM 207 N PHE A 15 -5.194 -1.050 4.263 1.00 0.00 N ATOM 208 CA PHE A 15 -4.442 -0.114 3.436 1.00 0.00 C ATOM 209 C PHE A 15 -3.579 -0.872 2.433 1.00 0.00 C ATOM 210 O PHE A 15 -3.433 -0.451 1.290 1.00 0.00 O ATOM 211 CB PHE A 15 -3.570 0.797 4.311 1.00 0.00 C ATOM 212 CG PHE A 15 -2.699 1.750 3.523 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.252 2.588 2.563 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.330 1.809 3.743 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.459 3.460 1.844 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.534 2.680 3.025 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.100 3.506 2.074 1.00 0.00 C ATOM 0 H PHE A 15 -4.953 -1.019 5.254 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.148 0.509 2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.215 1.373 4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.934 0.177 4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.315 2.557 2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.881 1.166 4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.903 4.106 1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.530 2.715 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.479 4.187 1.511 1.00 0.00 H new ATOM 227 N GLU A 16 -3.020 -1.996 2.872 1.00 0.00 N ATOM 228 CA GLU A 16 -2.203 -2.839 2.011 1.00 0.00 C ATOM 229 C GLU A 16 -3.020 -3.309 0.809 1.00 0.00 C ATOM 230 O GLU A 16 -2.538 -3.294 -0.319 1.00 0.00 O ATOM 231 CB GLU A 16 -1.666 -4.044 2.798 1.00 0.00 C ATOM 232 CG GLU A 16 -0.656 -4.890 2.026 1.00 0.00 C ATOM 233 CD GLU A 16 -0.208 -6.118 2.802 1.00 0.00 C ATOM 234 OE1 GLU A 16 0.758 -6.021 3.592 1.00 0.00 O ATOM 235 OE2 GLU A 16 -0.829 -7.190 2.635 1.00 0.00 O ATOM 0 H GLU A 16 -3.120 -2.344 3.826 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.355 -2.256 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.199 -3.687 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.504 -4.676 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.098 -5.204 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.214 -4.280 1.784 1.00 0.00 H new ATOM 242 N ARG A 17 -4.272 -3.701 1.061 1.00 0.00 N ATOM 243 CA ARG A 17 -5.172 -4.138 -0.009 1.00 0.00 C ATOM 244 C ARG A 17 -5.398 -3.005 -1.010 1.00 0.00 C ATOM 245 O ARG A 17 -5.359 -3.219 -2.223 1.00 0.00 O ATOM 246 CB ARG A 17 -6.515 -4.625 0.560 1.00 0.00 C ATOM 247 CG ARG A 17 -6.408 -5.907 1.385 1.00 0.00 C ATOM 248 CD ARG A 17 -7.778 -6.418 1.826 1.00 0.00 C ATOM 249 NE ARG A 17 -8.658 -6.678 0.681 1.00 0.00 N ATOM 250 CZ ARG A 17 -9.581 -7.642 0.632 1.00 0.00 C ATOM 251 NH1 ARG A 17 -9.779 -8.446 1.669 1.00 0.00 N ATOM 252 NH2 ARG A 17 -10.315 -7.794 -0.462 1.00 0.00 N ATOM 0 H ARG A 17 -4.684 -3.725 1.994 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.701 -4.975 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.942 -3.838 1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.209 -4.791 -0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.906 -6.676 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.790 -5.723 2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.655 -7.333 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.245 -5.685 2.484 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.557 -6.078 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.223 -8.332 2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.487 -9.178 1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.173 -7.176 -1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.021 -8.529 -0.504 1.00 0.00 H new ATOM 266 N LEU A 18 -5.626 -1.803 -0.488 1.00 0.00 N ATOM 267 CA LEU A 18 -5.756 -0.602 -1.316 1.00 0.00 C ATOM 268 C LEU A 18 -4.469 -0.356 -2.098 1.00 0.00 C ATOM 269 O LEU A 18 -4.488 -0.031 -3.286 1.00 0.00 O ATOM 270 CB LEU A 18 -6.046 0.617 -0.421 1.00 0.00 C ATOM 271 CG LEU A 18 -5.972 1.989 -1.122 1.00 0.00 C ATOM 272 CD1 LEU A 18 -7.120 2.170 -2.107 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.949 3.124 -0.101 1.00 0.00 C ATOM 0 H LEU A 18 -5.726 -1.632 0.513 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.578 -0.749 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.041 0.502 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.338 0.614 0.408 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.040 2.021 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.039 3.147 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.074 1.390 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.069 2.103 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.897 4.080 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.856 3.089 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.078 3.014 0.545 1.00 0.00 H new ATOM 285 N LEU A 19 -3.355 -0.543 -1.410 1.00 0.00 N ATOM 286 CA LEU A 19 -2.040 -0.186 -1.919 1.00 0.00 C ATOM 287 C LEU A 19 -1.488 -1.275 -2.843 1.00 0.00 C ATOM 288 O LEU A 19 -0.489 -1.075 -3.534 1.00 0.00 O ATOM 289 CB LEU A 19 -1.104 0.060 -0.727 1.00 0.00 C ATOM 290 CG LEU A 19 0.214 0.770 -1.048 1.00 0.00 C ATOM 291 CD1 LEU A 19 -0.047 2.092 -1.771 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.020 1.008 0.224 1.00 0.00 C ATOM 0 H LEU A 19 -3.337 -0.950 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.115 0.723 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.641 0.650 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.874 -0.901 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 19 0.795 0.126 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.902 2.581 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.579 1.898 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.651 2.741 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.953 1.514 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.443 1.629 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.241 0.052 0.699 1.00 0.00 H new ATOM 304 N GLN A 20 -2.138 -2.432 -2.833 1.00 0.00 N ATOM 305 CA GLN A 20 -1.780 -3.535 -3.727 1.00 0.00 C ATOM 306 C GLN A 20 -2.815 -3.695 -4.840 1.00 0.00 C ATOM 307 O GLN A 20 -2.694 -4.582 -5.687 1.00 0.00 O ATOM 308 CB GLN A 20 -1.638 -4.850 -2.942 1.00 0.00 C ATOM 309 CG GLN A 20 -0.368 -4.924 -2.102 1.00 0.00 C ATOM 310 CD GLN A 20 0.889 -4.852 -2.954 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.339 -3.642 -3.239 1.00 0.00 O flip ATOM 312 NE2 GLN A 20 1.432 -5.873 -3.377 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.922 -2.635 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.819 -3.296 -4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.503 -4.969 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.650 -5.685 -3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.363 -4.107 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.365 -5.853 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.055 -6.789 -3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.259 -5.803 -3.970 1.00 0.00 H new ATOM 321 N ASP A 21 -3.832 -2.838 -4.833 1.00 0.00 N ATOM 322 CA ASP A 21 -4.873 -2.872 -5.859 1.00 0.00 C ATOM 323 C ASP A 21 -4.595 -1.800 -6.909 1.00 0.00 C ATOM 324 O ASP A 21 -4.448 -0.627 -6.570 1.00 0.00 O ATOM 325 CB ASP A 21 -6.257 -2.649 -5.236 1.00 0.00 C ATOM 326 CG ASP A 21 -7.385 -2.870 -6.235 1.00 0.00 C ATOM 327 OD1 ASP A 21 -7.792 -1.910 -6.916 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.875 -4.016 -6.341 1.00 0.00 O ATOM 0 H ASP A 21 -3.959 -2.111 -4.129 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.864 -3.854 -6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.386 -3.326 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.317 -1.634 -4.843 1.00 0.00 H new ATOM 333 N PRO A 22 -4.507 -2.185 -8.199 1.00 0.00 N ATOM 334 CA PRO A 22 -4.197 -1.246 -9.287 1.00 0.00 C ATOM 335 C PRO A 22 -5.151 -0.049 -9.332 1.00 0.00 C ATOM 336 O PRO A 22 -4.716 1.100 -9.458 1.00 0.00 O ATOM 337 CB PRO A 22 -4.341 -2.102 -10.557 1.00 0.00 C ATOM 338 CG PRO A 22 -4.127 -3.504 -10.094 1.00 0.00 C ATOM 339 CD PRO A 22 -4.692 -3.564 -8.698 1.00 0.00 C ATOM 0 HA PRO A 22 -3.208 -0.805 -9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.326 -1.980 -11.008 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.608 -1.818 -11.312 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.630 -4.214 -10.751 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.068 -3.760 -10.099 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.743 -3.853 -8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.163 -4.290 -8.080 1.00 0.00 H new ATOM 347 N LEU A 23 -6.447 -0.324 -9.220 1.00 0.00 N ATOM 348 CA LEU A 23 -7.467 0.721 -9.289 1.00 0.00 C ATOM 349 C LEU A 23 -7.384 1.595 -8.036 1.00 0.00 C ATOM 350 O LEU A 23 -7.450 2.827 -8.109 1.00 0.00 O ATOM 351 CB LEU A 23 -8.865 0.076 -9.425 1.00 0.00 C ATOM 352 CG LEU A 23 -9.968 0.938 -10.077 1.00 0.00 C ATOM 353 CD1 LEU A 23 -11.225 0.105 -10.318 1.00 0.00 C ATOM 354 CD2 LEU A 23 -10.304 2.160 -9.227 1.00 0.00 C ATOM 0 H LEU A 23 -6.818 -1.264 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.296 1.350 -10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.762 -0.840 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.204 -0.214 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.584 1.291 -11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.992 0.728 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.988 -0.727 -10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.593 -0.281 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.084 2.742 -9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.656 1.836 -8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.413 2.776 -9.107 1.00 0.00 H new ATOM 366 N GLY A 24 -7.213 0.939 -6.892 1.00 0.00 N ATOM 367 CA GLY A 24 -7.112 1.636 -5.625 1.00 0.00 C ATOM 368 C GLY A 24 -5.946 2.602 -5.585 1.00 0.00 C ATOM 369 O GLY A 24 -6.123 3.799 -5.339 1.00 0.00 O ATOM 0 H GLY A 24 -7.142 -0.076 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.038 2.181 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.004 0.908 -4.821 1.00 0.00 H new ATOM 373 N LEU A 25 -4.755 2.076 -5.841 1.00 0.00 N ATOM 374 CA LEU A 25 -3.533 2.872 -5.834 1.00 0.00 C ATOM 375 C LEU A 25 -3.650 4.027 -6.836 1.00 0.00 C ATOM 376 O LEU A 25 -3.117 5.109 -6.606 1.00 0.00 O ATOM 377 CB LEU A 25 -2.317 1.982 -6.172 1.00 0.00 C ATOM 378 CG LEU A 25 -1.012 2.293 -5.402 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.107 1.343 -5.830 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.578 3.748 -5.590 1.00 0.00 C ATOM 0 H LEU A 25 -4.608 1.090 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.389 3.291 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.588 0.944 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.115 2.068 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.214 2.142 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.016 1.579 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.189 0.315 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.293 1.457 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.342 3.928 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.406 3.943 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.360 4.412 -5.221 1.00 0.00 H new ATOM 392 N ALA A 26 -4.369 3.790 -7.934 1.00 0.00 N ATOM 393 CA ALA A 26 -4.554 4.801 -8.975 1.00 0.00 C ATOM 394 C ALA A 26 -5.199 6.068 -8.407 1.00 0.00 C ATOM 395 O ALA A 26 -4.628 7.158 -8.494 1.00 0.00 O ATOM 396 CB ALA A 26 -5.393 4.239 -10.118 1.00 0.00 C ATOM 0 H ALA A 26 -4.834 2.903 -8.125 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.572 5.071 -9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.522 5.003 -10.885 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.888 3.374 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.369 3.937 -9.739 1.00 0.00 H new ATOM 402 N TYR A 27 -6.382 5.922 -7.817 1.00 0.00 N ATOM 403 CA TYR A 27 -7.094 7.069 -7.248 1.00 0.00 C ATOM 404 C TYR A 27 -6.398 7.580 -5.988 1.00 0.00 C ATOM 405 O TYR A 27 -6.422 8.780 -5.699 1.00 0.00 O ATOM 406 CB TYR A 27 -8.559 6.721 -6.944 1.00 0.00 C ATOM 407 CG TYR A 27 -9.460 6.705 -8.171 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.491 7.790 -9.045 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.279 5.617 -8.453 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.309 7.790 -10.157 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.102 5.612 -9.566 1.00 0.00 C ATOM 412 CZ TYR A 27 -11.113 6.701 -10.413 1.00 0.00 C ATOM 413 OH TYR A 27 -11.927 6.702 -11.524 1.00 0.00 O ATOM 0 H TYR A 27 -6.867 5.030 -7.719 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.080 7.863 -7.994 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.597 5.743 -6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.952 7.442 -6.227 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.863 8.647 -8.849 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.273 4.762 -7.793 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.319 8.640 -10.823 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.733 4.759 -9.770 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.429 5.861 -11.562 1.00 0.00 H new ATOM 423 N PHE A 28 -5.776 6.672 -5.244 1.00 0.00 N ATOM 424 CA PHE A 28 -5.066 7.035 -4.020 1.00 0.00 C ATOM 425 C PHE A 28 -3.894 7.967 -4.332 1.00 0.00 C ATOM 426 O PHE A 28 -3.742 9.023 -3.714 1.00 0.00 O ATOM 427 CB PHE A 28 -4.577 5.775 -3.292 1.00 0.00 C ATOM 428 CG PHE A 28 -3.750 6.065 -2.062 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.281 6.787 -1.002 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.440 5.616 -1.969 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.524 7.054 0.123 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.681 5.881 -0.846 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.223 6.601 0.200 1.00 0.00 C ATOM 0 H PHE A 28 -5.748 5.677 -5.467 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.757 7.566 -3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.440 5.174 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.986 5.174 -3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.299 7.145 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.009 5.053 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.950 7.616 0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.663 5.525 -0.786 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.629 6.809 1.078 1.00 0.00 H new ATOM 443 N THR A 29 -3.076 7.580 -5.307 1.00 0.00 N ATOM 444 CA THR A 29 -1.917 8.374 -5.691 1.00 0.00 C ATOM 445 C THR A 29 -2.360 9.641 -6.423 1.00 0.00 C ATOM 446 O THR A 29 -1.622 10.623 -6.480 1.00 0.00 O ATOM 447 CB THR A 29 -0.931 7.564 -6.577 1.00 0.00 C ATOM 448 OG1 THR A 29 0.329 8.247 -6.672 1.00 0.00 O ATOM 449 CG2 THR A 29 -1.486 7.340 -7.981 1.00 0.00 C ATOM 0 H THR A 29 -3.196 6.721 -5.844 1.00 0.00 H new ATOM 0 HA THR A 29 -1.392 8.651 -4.777 1.00 0.00 H new ATOM 0 HB THR A 29 -0.793 6.593 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.942 7.726 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.767 6.770 -8.570 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.423 6.787 -7.918 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.665 8.303 -8.460 1.00 0.00 H new ATOM 457 N GLU A 30 -3.574 9.608 -6.976 1.00 0.00 N ATOM 458 CA GLU A 30 -4.150 10.763 -7.660 1.00 0.00 C ATOM 459 C GLU A 30 -4.274 11.930 -6.674 1.00 0.00 C ATOM 460 O GLU A 30 -3.690 12.999 -6.882 1.00 0.00 O ATOM 461 CB GLU A 30 -5.521 10.383 -8.255 1.00 0.00 C ATOM 462 CG GLU A 30 -6.019 11.294 -9.379 1.00 0.00 C ATOM 463 CD GLU A 30 -6.325 12.713 -8.926 1.00 0.00 C ATOM 464 OE1 GLU A 30 -7.092 12.879 -7.954 1.00 0.00 O ATOM 465 OE2 GLU A 30 -5.806 13.673 -9.545 1.00 0.00 O ATOM 0 H GLU A 30 -4.179 8.787 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.501 11.074 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.464 9.363 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.260 10.384 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.267 11.328 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.918 10.859 -9.815 1.00 0.00 H new ATOM 472 N PHE A 31 -5.015 11.707 -5.587 1.00 0.00 N ATOM 473 CA PHE A 31 -5.151 12.707 -4.525 1.00 0.00 C ATOM 474 C PHE A 31 -3.784 13.106 -3.982 1.00 0.00 C ATOM 475 O PHE A 31 -3.484 14.292 -3.817 1.00 0.00 O ATOM 476 CB PHE A 31 -6.012 12.174 -3.370 1.00 0.00 C ATOM 477 CG PHE A 31 -7.495 12.234 -3.621 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.132 13.457 -3.782 1.00 0.00 C ATOM 479 CD2 PHE A 31 -8.255 11.076 -3.673 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.495 13.522 -3.992 1.00 0.00 C ATOM 481 CE2 PHE A 31 -9.617 11.137 -3.884 1.00 0.00 C ATOM 482 CZ PHE A 31 -10.238 12.361 -4.043 1.00 0.00 C ATOM 0 H PHE A 31 -5.530 10.843 -5.418 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.639 13.579 -4.960 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.731 11.140 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.785 12.745 -2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.554 14.369 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.776 10.116 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.978 14.480 -4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.198 10.228 -3.925 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.304 12.409 -4.207 1.00 0.00 H new ATOM 492 N LEU A 32 -2.961 12.102 -3.712 1.00 0.00 N ATOM 493 CA LEU A 32 -1.639 12.314 -3.135 1.00 0.00 C ATOM 494 C LEU A 32 -0.754 13.123 -4.095 1.00 0.00 C ATOM 495 O LEU A 32 0.202 13.781 -3.678 1.00 0.00 O ATOM 496 CB LEU A 32 -0.999 10.956 -2.805 1.00 0.00 C ATOM 497 CG LEU A 32 0.180 10.997 -1.820 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.260 11.532 -0.462 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.798 9.612 -1.666 1.00 0.00 C ATOM 0 H LEU A 32 -3.188 11.123 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.737 12.888 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.769 10.302 -2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.657 10.501 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 32 0.932 11.673 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.593 11.550 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.653 12.542 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.036 10.886 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.631 9.661 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.047 8.918 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.159 9.265 -2.634 1.00 0.00 H new ATOM 511 N LYS A 33 -1.090 13.076 -5.382 1.00 0.00 N ATOM 512 CA LYS A 33 -0.373 13.845 -6.399 1.00 0.00 C ATOM 513 C LYS A 33 -0.903 15.279 -6.445 1.00 0.00 C ATOM 514 O LYS A 33 -0.140 16.222 -6.667 1.00 0.00 O ATOM 515 CB LYS A 33 -0.505 13.151 -7.773 1.00 0.00 C ATOM 516 CG LYS A 33 0.316 13.780 -8.908 1.00 0.00 C ATOM 517 CD LYS A 33 -0.449 14.881 -9.647 1.00 0.00 C ATOM 518 CE LYS A 33 0.362 15.463 -10.804 1.00 0.00 C ATOM 519 NZ LYS A 33 1.611 16.124 -10.339 1.00 0.00 N ATOM 0 H LYS A 33 -1.857 12.512 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 33 0.685 13.888 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.206 12.108 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.556 13.153 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.237 14.195 -8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.603 13.004 -9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.387 14.477 -10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.705 15.677 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.614 14.667 -11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.249 16.185 -11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.050 16.634 -11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.386 16.796 -9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.272 15.405 -9.981 1.00 0.00 H new ATOM 533 N LYS A 34 -2.210 15.439 -6.207 1.00 0.00 N ATOM 534 CA LYS A 34 -2.848 16.761 -6.200 1.00 0.00 C ATOM 535 C LYS A 34 -2.133 17.717 -5.245 1.00 0.00 C ATOM 536 O LYS A 34 -1.807 18.849 -5.610 1.00 0.00 O ATOM 537 CB LYS A 34 -4.335 16.664 -5.801 1.00 0.00 C ATOM 538 CG LYS A 34 -5.294 16.378 -6.957 1.00 0.00 C ATOM 539 CD LYS A 34 -6.751 16.478 -6.499 1.00 0.00 C ATOM 540 CE LYS A 34 -7.727 16.537 -7.671 1.00 0.00 C ATOM 541 NZ LYS A 34 -7.688 15.308 -8.498 1.00 0.00 N ATOM 0 H LYS A 34 -2.848 14.667 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.777 17.152 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.445 15.878 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.630 17.599 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.114 17.085 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.102 15.382 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.992 15.619 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.875 17.368 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.738 16.685 -7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.491 17.399 -8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.506 15.295 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.810 15.293 -9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.720 14.472 -7.880 1.00 0.00 H new ATOM 555 N GLU A 35 -1.888 17.252 -4.025 1.00 0.00 N ATOM 556 CA GLU A 35 -1.267 18.082 -2.991 1.00 0.00 C ATOM 557 C GLU A 35 0.259 17.978 -3.034 1.00 0.00 C ATOM 558 O GLU A 35 0.953 18.634 -2.255 1.00 0.00 O ATOM 559 CB GLU A 35 -1.785 17.667 -1.609 1.00 0.00 C ATOM 560 CG GLU A 35 -1.585 16.187 -1.302 1.00 0.00 C ATOM 561 CD GLU A 35 -2.018 15.819 0.105 1.00 0.00 C ATOM 562 OE1 GLU A 35 -3.204 15.482 0.300 1.00 0.00 O ATOM 563 OE2 GLU A 35 -1.171 15.866 1.026 1.00 0.00 O ATOM 0 H GLU A 35 -2.109 16.303 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.537 19.121 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.278 18.259 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.847 17.903 -1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.150 15.591 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.534 15.931 -1.433 1.00 0.00 H new ATOM 570 N PHE A 36 0.764 17.156 -3.952 1.00 0.00 N ATOM 571 CA PHE A 36 2.196 16.894 -4.075 1.00 0.00 C ATOM 572 C PHE A 36 2.760 16.358 -2.759 1.00 0.00 C ATOM 573 O PHE A 36 3.372 17.087 -1.976 1.00 0.00 O ATOM 574 CB PHE A 36 2.966 18.145 -4.541 1.00 0.00 C ATOM 575 CG PHE A 36 4.454 17.922 -4.704 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.936 16.915 -5.532 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.370 18.714 -4.023 1.00 0.00 C ATOM 578 CE1 PHE A 36 6.296 16.706 -5.677 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.729 18.509 -4.167 1.00 0.00 C ATOM 580 CZ PHE A 36 7.193 17.504 -4.994 1.00 0.00 C ATOM 0 H PHE A 36 0.192 16.653 -4.631 1.00 0.00 H new ATOM 0 HA PHE A 36 2.329 16.130 -4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.552 18.481 -5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.805 18.948 -3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.240 16.288 -6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.015 19.500 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.656 15.920 -6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.429 19.135 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.255 17.343 -5.106 1.00 0.00 H new ATOM 590 N SER A 37 2.463 15.098 -2.496 1.00 0.00 N ATOM 591 CA SER A 37 3.054 14.358 -1.389 1.00 0.00 C ATOM 592 C SER A 37 3.188 12.893 -1.798 1.00 0.00 C ATOM 593 O SER A 37 3.336 11.995 -0.961 1.00 0.00 O ATOM 594 CB SER A 37 2.199 14.514 -0.125 1.00 0.00 C ATOM 595 OG SER A 37 0.823 14.342 -0.414 1.00 0.00 O ATOM 0 H SER A 37 1.800 14.553 -3.047 1.00 0.00 H new ATOM 0 HA SER A 37 4.043 14.753 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.511 13.783 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.362 15.501 0.308 1.00 0.00 H new ATOM 0 HG SER A 37 0.287 14.844 0.235 1.00 0.00 H new ATOM 601 N ALA A 38 3.187 12.680 -3.116 1.00 0.00 N ATOM 602 CA ALA A 38 3.233 11.345 -3.704 1.00 0.00 C ATOM 603 C ALA A 38 4.605 10.711 -3.517 1.00 0.00 C ATOM 604 O ALA A 38 4.819 9.551 -3.880 1.00 0.00 O ATOM 605 CB ALA A 38 2.866 11.411 -5.183 1.00 0.00 C ATOM 0 H ALA A 38 3.154 13.432 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 38 2.505 10.718 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.903 10.410 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.859 11.814 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.573 12.056 -5.705 1.00 0.00 H new ATOM 611 N GLU A 39 5.528 11.476 -2.944 1.00 0.00 N ATOM 612 CA GLU A 39 6.877 10.991 -2.669 1.00 0.00 C ATOM 613 C GLU A 39 6.806 9.720 -1.830 1.00 0.00 C ATOM 614 O GLU A 39 7.581 8.784 -2.026 1.00 0.00 O ATOM 615 CB GLU A 39 7.713 12.053 -1.929 1.00 0.00 C ATOM 616 CG GLU A 39 7.852 13.388 -2.664 1.00 0.00 C ATOM 617 CD GLU A 39 6.634 14.289 -2.514 1.00 0.00 C ATOM 618 OE1 GLU A 39 6.583 15.067 -1.536 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.724 14.217 -3.366 1.00 0.00 O ATOM 0 H GLU A 39 5.365 12.442 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 39 7.362 10.778 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.261 12.236 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.709 11.649 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.731 13.912 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.024 13.195 -3.723 1.00 0.00 H new ATOM 626 N ASN A 40 5.841 9.695 -0.914 1.00 0.00 N ATOM 627 CA ASN A 40 5.658 8.574 0.005 1.00 0.00 C ATOM 628 C ASN A 40 5.381 7.274 -0.753 1.00 0.00 C ATOM 629 O ASN A 40 6.107 6.289 -0.597 1.00 0.00 O ATOM 630 CB ASN A 40 4.514 8.875 0.986 1.00 0.00 C ATOM 631 CG ASN A 40 4.812 10.058 1.899 1.00 0.00 C ATOM 632 OD1 ASN A 40 5.965 10.313 2.252 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.778 10.791 2.285 1.00 0.00 N ATOM 0 H ASN A 40 5.166 10.449 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 40 6.583 8.443 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.603 9.078 0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.322 7.992 1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.923 11.596 2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.837 10.550 1.973 1.00 0.00 H new ATOM 640 N VAL A 41 4.340 7.273 -1.588 1.00 0.00 N ATOM 641 CA VAL A 41 3.972 6.070 -2.335 1.00 0.00 C ATOM 642 C VAL A 41 5.045 5.706 -3.354 1.00 0.00 C ATOM 643 O VAL A 41 5.298 4.530 -3.585 1.00 0.00 O ATOM 644 CB VAL A 41 2.603 6.199 -3.054 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.474 6.298 -2.035 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.585 7.394 -4.006 1.00 0.00 C ATOM 0 H VAL A 41 3.743 8.082 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 41 3.885 5.275 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 41 2.450 5.301 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.521 6.388 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.465 5.402 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.628 7.175 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.612 7.456 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.768 8.310 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.362 7.270 -4.761 1.00 0.00 H new ATOM 656 N THR A 42 5.674 6.713 -3.953 1.00 0.00 N ATOM 657 CA THR A 42 6.748 6.478 -4.917 1.00 0.00 C ATOM 658 C THR A 42 7.928 5.784 -4.234 1.00 0.00 C ATOM 659 O THR A 42 8.530 4.857 -4.784 1.00 0.00 O ATOM 660 CB THR A 42 7.214 7.803 -5.563 1.00 0.00 C ATOM 661 OG1 THR A 42 6.080 8.497 -6.102 1.00 0.00 O ATOM 662 CG2 THR A 42 8.235 7.556 -6.673 1.00 0.00 C ATOM 0 H THR A 42 5.461 7.697 -3.790 1.00 0.00 H new ATOM 0 HA THR A 42 6.361 5.832 -5.705 1.00 0.00 H new ATOM 0 HB THR A 42 7.692 8.406 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.569 8.905 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.541 8.509 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.107 7.049 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.787 6.934 -7.448 1.00 0.00 H new ATOM 670 N PHE A 43 8.227 6.229 -3.019 1.00 0.00 N ATOM 671 CA PHE A 43 9.276 5.634 -2.195 1.00 0.00 C ATOM 672 C PHE A 43 8.934 4.178 -1.881 1.00 0.00 C ATOM 673 O PHE A 43 9.808 3.310 -1.847 1.00 0.00 O ATOM 674 CB PHE A 43 9.414 6.446 -0.902 1.00 0.00 C ATOM 675 CG PHE A 43 10.537 6.018 0.013 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.859 6.291 -0.311 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.268 5.367 1.210 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.887 5.920 0.536 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.294 4.999 2.061 1.00 0.00 C ATOM 680 CZ PHE A 43 12.604 5.276 1.723 1.00 0.00 C ATOM 0 H PHE A 43 7.749 7.013 -2.576 1.00 0.00 H new ATOM 0 HA PHE A 43 10.223 5.651 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.561 7.494 -1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.475 6.384 -0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.087 6.799 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.246 5.146 1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.911 6.134 0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.071 4.495 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.406 4.989 2.387 1.00 0.00 H new ATOM 690 N TRP A 44 7.647 3.923 -1.669 1.00 0.00 N ATOM 691 CA TRP A 44 7.163 2.580 -1.382 1.00 0.00 C ATOM 692 C TRP A 44 7.190 1.725 -2.656 1.00 0.00 C ATOM 693 O TRP A 44 7.528 0.544 -2.614 1.00 0.00 O ATOM 694 CB TRP A 44 5.745 2.646 -0.797 1.00 0.00 C ATOM 695 CG TRP A 44 5.275 1.353 -0.201 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.520 0.894 1.063 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.478 0.354 -0.843 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.923 -0.328 1.247 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.278 -0.683 0.089 1.00 0.00 C ATOM 700 CE3 TRP A 44 3.916 0.237 -2.115 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.536 -1.821 -0.215 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.180 -0.892 -2.415 1.00 0.00 C ATOM 703 CH2 TRP A 44 2.996 -1.908 -1.469 1.00 0.00 C ATOM 0 H TRP A 44 6.917 4.635 -1.691 1.00 0.00 H new ATOM 0 HA TRP A 44 7.817 2.114 -0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.714 3.421 -0.031 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.052 2.946 -1.583 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.100 1.417 1.809 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.954 -0.881 2.103 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.054 1.015 -2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.392 -2.606 0.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.739 -0.993 -3.396 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.415 -2.779 -1.735 1.00 0.00 H new ATOM 714 N LYS A 45 6.853 2.333 -3.794 1.00 0.00 N ATOM 715 CA LYS A 45 6.918 1.642 -5.083 1.00 0.00 C ATOM 716 C LYS A 45 8.350 1.188 -5.344 1.00 0.00 C ATOM 717 O LYS A 45 8.592 0.126 -5.916 1.00 0.00 O ATOM 718 CB LYS A 45 6.448 2.554 -6.232 1.00 0.00 C ATOM 719 CG LYS A 45 4.978 2.963 -6.160 1.00 0.00 C ATOM 720 CD LYS A 45 4.596 3.882 -7.320 1.00 0.00 C ATOM 721 CE LYS A 45 3.161 4.390 -7.207 1.00 0.00 C ATOM 722 NZ LYS A 45 2.782 5.232 -8.372 1.00 0.00 N ATOM 0 H LYS A 45 6.533 3.300 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 45 6.254 0.779 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.062 3.455 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.623 2.043 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.350 2.072 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.786 3.470 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.279 4.731 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.716 3.345 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.480 3.542 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.051 4.968 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.801 5.559 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.416 6.054 -8.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.863 4.673 -9.245 1.00 0.00 H new ATOM 736 N ALA A 46 9.297 2.002 -4.894 1.00 0.00 N ATOM 737 CA ALA A 46 10.710 1.697 -5.047 1.00 0.00 C ATOM 738 C ALA A 46 11.074 0.391 -4.340 1.00 0.00 C ATOM 739 O ALA A 46 11.968 -0.327 -4.781 1.00 0.00 O ATOM 740 CB ALA A 46 11.558 2.852 -4.524 1.00 0.00 C ATOM 0 H ALA A 46 9.108 2.884 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 46 10.918 1.565 -6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.614 2.611 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.326 3.757 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.341 3.014 -3.468 1.00 0.00 H new ATOM 746 N CYS A 47 10.363 0.069 -3.255 1.00 0.00 N ATOM 747 CA CYS A 47 10.669 -1.134 -2.483 1.00 0.00 C ATOM 748 C CYS A 47 10.136 -2.381 -3.185 1.00 0.00 C ATOM 749 O CYS A 47 10.751 -3.446 -3.114 1.00 0.00 O ATOM 750 CB CYS A 47 10.107 -1.049 -1.055 1.00 0.00 C ATOM 751 SG CYS A 47 8.322 -1.309 -0.911 1.00 0.00 S ATOM 0 H CYS A 47 9.582 0.618 -2.897 1.00 0.00 H new ATOM 0 HA CYS A 47 11.754 -1.206 -2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 47 10.616 -1.788 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.349 -0.069 -0.644 1.00 0.00 H new ATOM 0 HG CYS A 47 7.694 -0.395 -1.589 1.00 0.00 H new ATOM 757 N GLU A 48 9.002 -2.256 -3.879 1.00 0.00 N ATOM 758 CA GLU A 48 8.421 -3.402 -4.579 1.00 0.00 C ATOM 759 C GLU A 48 9.198 -3.659 -5.867 1.00 0.00 C ATOM 760 O GLU A 48 9.324 -4.799 -6.315 1.00 0.00 O ATOM 761 CB GLU A 48 6.908 -3.204 -4.838 1.00 0.00 C ATOM 762 CG GLU A 48 6.540 -2.185 -5.920 1.00 0.00 C ATOM 763 CD GLU A 48 6.486 -2.784 -7.323 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.704 -3.734 -7.537 1.00 0.00 O ATOM 765 OE2 GLU A 48 7.220 -2.308 -8.213 1.00 0.00 O ATOM 0 H GLU A 48 8.476 -1.387 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 48 8.506 -4.285 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.477 -4.167 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.437 -2.899 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.570 -1.748 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.268 -1.374 -5.907 1.00 0.00 H new ATOM 772 N ARG A 49 9.756 -2.588 -6.427 1.00 0.00 N ATOM 773 CA ARG A 49 10.587 -2.679 -7.625 1.00 0.00 C ATOM 774 C ARG A 49 11.999 -3.136 -7.257 1.00 0.00 C ATOM 775 O ARG A 49 12.785 -3.535 -8.115 1.00 0.00 O ATOM 776 CB ARG A 49 10.639 -1.314 -8.333 1.00 0.00 C ATOM 777 CG ARG A 49 11.098 -1.387 -9.793 1.00 0.00 C ATOM 778 CD ARG A 49 10.001 -0.930 -10.752 1.00 0.00 C ATOM 779 NE ARG A 49 8.719 -1.582 -10.466 1.00 0.00 N ATOM 780 CZ ARG A 49 7.754 -1.784 -11.361 1.00 0.00 C ATOM 781 NH1 ARG A 49 7.900 -1.379 -12.618 1.00 0.00 N ATOM 782 NH2 ARG A 49 6.632 -2.380 -10.981 1.00 0.00 N ATOM 0 H ARG A 49 9.646 -1.640 -6.067 1.00 0.00 H new ATOM 0 HA ARG A 49 10.149 -3.412 -8.302 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.649 -0.859 -8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.313 -0.656 -7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.982 -0.764 -9.928 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.388 -2.410 -10.033 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.883 0.151 -10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.300 -1.150 -11.777 1.00 0.00 H new ATOM 0 HE ARG A 49 8.555 -1.904 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.758 -0.908 -12.906 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.154 -1.539 -13.295 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.516 -2.678 -10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.885 -2.540 -11.657 1.00 0.00 H new ATOM 796 N PHE A 50 12.311 -3.063 -5.967 1.00 0.00 N ATOM 797 CA PHE A 50 13.626 -3.447 -5.464 1.00 0.00 C ATOM 798 C PHE A 50 13.618 -4.906 -5.007 1.00 0.00 C ATOM 799 O PHE A 50 14.551 -5.659 -5.279 1.00 0.00 O ATOM 800 CB PHE A 50 14.023 -2.530 -4.297 1.00 0.00 C ATOM 801 CG PHE A 50 15.480 -2.604 -3.911 1.00 0.00 C ATOM 802 CD1 PHE A 50 15.945 -3.590 -3.056 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.385 -1.673 -4.401 1.00 0.00 C ATOM 804 CE1 PHE A 50 17.279 -3.649 -2.704 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.718 -1.729 -4.051 1.00 0.00 C ATOM 806 CZ PHE A 50 18.166 -2.718 -3.201 1.00 0.00 C ATOM 0 H PHE A 50 11.666 -2.739 -5.246 1.00 0.00 H new ATOM 0 HA PHE A 50 14.355 -3.341 -6.267 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.782 -1.501 -4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.416 -2.785 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 50 15.256 -4.321 -2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.041 -0.894 -5.065 1.00 0.00 H new ATOM 0 HE1 PHE A 50 17.628 -4.425 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 50 18.411 -0.999 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.209 -2.763 -2.925 1.00 0.00 H new ATOM 816 N GLN A 51 12.544 -5.304 -4.329 1.00 0.00 N ATOM 817 CA GLN A 51 12.444 -6.644 -3.747 1.00 0.00 C ATOM 818 C GLN A 51 12.308 -7.722 -4.825 1.00 0.00 C ATOM 819 O GLN A 51 12.368 -8.917 -4.525 1.00 0.00 O ATOM 820 CB GLN A 51 11.257 -6.720 -2.776 1.00 0.00 C ATOM 821 CG GLN A 51 9.896 -6.544 -3.442 1.00 0.00 C ATOM 822 CD GLN A 51 8.747 -6.613 -2.452 1.00 0.00 C ATOM 823 OE1 GLN A 51 8.373 -5.473 -1.890 1.00 0.00 O flip ATOM 824 NE2 GLN A 51 8.204 -7.685 -2.183 1.00 0.00 N flip ATOM 0 H GLN A 51 11.726 -4.716 -4.168 1.00 0.00 H new ATOM 0 HA GLN A 51 13.368 -6.832 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.279 -7.684 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.377 -5.953 -2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.869 -5.584 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.764 -7.316 -4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.518 -8.544 -2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.440 -7.714 -1.508 1.00 0.00 H new ATOM 833 N GLN A 52 12.104 -7.305 -6.073 1.00 0.00 N ATOM 834 CA GLN A 52 12.019 -8.249 -7.184 1.00 0.00 C ATOM 835 C GLN A 52 13.410 -8.754 -7.563 1.00 0.00 C ATOM 836 O GLN A 52 13.551 -9.788 -8.218 1.00 0.00 O ATOM 837 CB GLN A 52 11.331 -7.607 -8.395 1.00 0.00 C ATOM 838 CG GLN A 52 12.106 -6.458 -9.033 1.00 0.00 C ATOM 839 CD GLN A 52 11.425 -5.922 -10.287 1.00 0.00 C ATOM 840 OE1 GLN A 52 10.603 -5.008 -10.226 1.00 0.00 O ATOM 841 NE2 GLN A 52 11.762 -6.493 -11.435 1.00 0.00 N ATOM 0 H GLN A 52 11.995 -6.326 -6.339 1.00 0.00 H new ATOM 0 HA GLN A 52 11.417 -9.099 -6.863 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.161 -8.376 -9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.352 -7.240 -8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.215 -5.651 -8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.111 -6.797 -9.285 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.447 -7.248 -11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.336 -6.177 -12.306 1.00 0.00 H new ATOM 850 N ILE A 53 14.427 -8.009 -7.140 1.00 0.00 N ATOM 851 CA ILE A 53 15.822 -8.378 -7.383 1.00 0.00 C ATOM 852 C ILE A 53 16.214 -9.574 -6.502 1.00 0.00 C ATOM 853 O ILE A 53 16.032 -9.531 -5.285 1.00 0.00 O ATOM 854 CB ILE A 53 16.778 -7.189 -7.093 1.00 0.00 C ATOM 855 CG1 ILE A 53 16.338 -5.936 -7.874 1.00 0.00 C ATOM 856 CG2 ILE A 53 18.224 -7.559 -7.439 1.00 0.00 C ATOM 857 CD1 ILE A 53 17.142 -4.690 -7.545 1.00 0.00 C ATOM 0 H ILE A 53 14.311 -7.138 -6.622 1.00 0.00 H new ATOM 0 HA ILE A 53 15.916 -8.650 -8.434 1.00 0.00 H new ATOM 0 HB ILE A 53 16.729 -6.964 -6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.421 -6.138 -8.942 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.286 -5.742 -7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.877 -6.712 -7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 53 18.534 -8.414 -6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 53 18.291 -7.814 -8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.772 -3.852 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.040 -4.460 -6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.193 -4.863 -7.779 1.00 0.00 H new ATOM 869 N PRO A 54 16.774 -10.648 -7.101 1.00 0.00 N ATOM 870 CA PRO A 54 17.100 -11.900 -6.385 1.00 0.00 C ATOM 871 C PRO A 54 18.240 -11.772 -5.356 1.00 0.00 C ATOM 872 O PRO A 54 18.800 -12.786 -4.937 1.00 0.00 O ATOM 873 CB PRO A 54 17.516 -12.869 -7.515 1.00 0.00 C ATOM 874 CG PRO A 54 17.041 -12.228 -8.777 1.00 0.00 C ATOM 875 CD PRO A 54 17.109 -10.749 -8.530 1.00 0.00 C ATOM 0 HA PRO A 54 16.246 -12.228 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.596 -13.015 -7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.063 -13.851 -7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.668 -12.513 -9.622 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.024 -12.539 -9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.099 -10.347 -8.744 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.402 -10.201 -9.152 1.00 0.00 H new ATOM 883 N ALA A 55 18.585 -10.537 -4.967 1.00 0.00 N ATOM 884 CA ALA A 55 19.582 -10.273 -3.912 1.00 0.00 C ATOM 885 C ALA A 55 21.024 -10.522 -4.376 1.00 0.00 C ATOM 886 O ALA A 55 21.907 -9.701 -4.130 1.00 0.00 O ATOM 887 CB ALA A 55 19.277 -11.091 -2.656 1.00 0.00 C ATOM 0 H ALA A 55 18.183 -9.692 -5.372 1.00 0.00 H new ATOM 0 HA ALA A 55 19.504 -9.212 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 55 20.026 -10.879 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.290 -10.825 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 55 19.298 -12.153 -2.900 1.00 0.00 H new ATOM 893 N SER A 56 21.257 -11.651 -5.041 1.00 0.00 N ATOM 894 CA SER A 56 22.594 -12.023 -5.502 1.00 0.00 C ATOM 895 C SER A 56 23.179 -10.944 -6.418 1.00 0.00 C ATOM 896 O SER A 56 24.398 -10.782 -6.509 1.00 0.00 O ATOM 897 CB SER A 56 22.539 -13.375 -6.228 1.00 0.00 C ATOM 898 OG SER A 56 23.831 -13.807 -6.623 1.00 0.00 O ATOM 0 H SER A 56 20.532 -12.329 -5.274 1.00 0.00 H new ATOM 0 HA SER A 56 23.247 -12.113 -4.634 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.089 -14.122 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.898 -13.292 -7.106 1.00 0.00 H new ATOM 0 HG SER A 56 23.761 -14.671 -7.081 1.00 0.00 H new ATOM 904 N ASP A 57 22.302 -10.207 -7.094 1.00 0.00 N ATOM 905 CA ASP A 57 22.720 -9.110 -7.962 1.00 0.00 C ATOM 906 C ASP A 57 23.067 -7.880 -7.127 1.00 0.00 C ATOM 907 O ASP A 57 22.308 -6.909 -7.085 1.00 0.00 O ATOM 908 CB ASP A 57 21.619 -8.772 -8.975 1.00 0.00 C ATOM 909 CG ASP A 57 21.303 -9.931 -9.909 1.00 0.00 C ATOM 910 OD1 ASP A 57 20.420 -10.748 -9.572 1.00 0.00 O ATOM 911 OD2 ASP A 57 21.938 -10.027 -10.982 1.00 0.00 O ATOM 0 H ASP A 57 21.293 -10.351 -7.057 1.00 0.00 H new ATOM 0 HA ASP A 57 23.607 -9.424 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.714 -8.486 -8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.927 -7.909 -9.565 1.00 0.00 H new ATOM 916 N THR A 58 24.211 -7.939 -6.452 1.00 0.00 N ATOM 917 CA THR A 58 24.656 -6.864 -5.572 1.00 0.00 C ATOM 918 C THR A 58 24.820 -5.556 -6.349 1.00 0.00 C ATOM 919 O THR A 58 24.389 -4.492 -5.896 1.00 0.00 O ATOM 920 CB THR A 58 25.992 -7.236 -4.887 1.00 0.00 C ATOM 921 OG1 THR A 58 25.885 -8.537 -4.288 1.00 0.00 O ATOM 922 CG2 THR A 58 26.377 -6.214 -3.820 1.00 0.00 C ATOM 0 H THR A 58 24.853 -8.730 -6.499 1.00 0.00 H new ATOM 0 HA THR A 58 23.893 -6.723 -4.806 1.00 0.00 H new ATOM 0 HB THR A 58 26.770 -7.241 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 58 26.734 -8.769 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 58 27.320 -6.507 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 58 26.487 -5.232 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 58 25.599 -6.173 -3.058 1.00 0.00 H new ATOM 930 N GLN A 59 25.424 -5.654 -7.534 1.00 0.00 N ATOM 931 CA GLN A 59 25.639 -4.493 -8.398 1.00 0.00 C ATOM 932 C GLN A 59 24.311 -3.803 -8.708 1.00 0.00 C ATOM 933 O GLN A 59 24.221 -2.573 -8.722 1.00 0.00 O ATOM 934 CB GLN A 59 26.332 -4.920 -9.704 1.00 0.00 C ATOM 935 CG GLN A 59 25.559 -5.973 -10.501 1.00 0.00 C ATOM 936 CD GLN A 59 26.233 -6.348 -11.812 1.00 0.00 C ATOM 937 OE1 GLN A 59 27.456 -6.299 -11.935 1.00 0.00 O ATOM 938 NE2 GLN A 59 25.439 -6.732 -12.799 1.00 0.00 N ATOM 0 H GLN A 59 25.775 -6.531 -7.919 1.00 0.00 H new ATOM 0 HA GLN A 59 26.283 -3.787 -7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 59 26.479 -4.040 -10.330 1.00 0.00 H new ATOM 0 HB3 GLN A 59 27.321 -5.312 -9.468 1.00 0.00 H new ATOM 0 HG2 GLN A 59 25.443 -6.869 -9.890 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.557 -5.598 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 59 24.429 -6.760 -12.660 1.00 0.00 H new ATOM 0 HE22 GLN A 59 25.837 -7.000 -13.699 1.00 0.00 H new ATOM 947 N GLN A 60 23.282 -4.617 -8.927 1.00 0.00 N ATOM 948 CA GLN A 60 21.954 -4.127 -9.278 1.00 0.00 C ATOM 949 C GLN A 60 21.295 -3.471 -8.068 1.00 0.00 C ATOM 950 O GLN A 60 20.724 -2.383 -8.174 1.00 0.00 O ATOM 951 CB GLN A 60 21.104 -5.291 -9.800 1.00 0.00 C ATOM 952 CG GLN A 60 19.720 -4.894 -10.294 1.00 0.00 C ATOM 953 CD GLN A 60 18.966 -6.059 -10.921 1.00 0.00 C ATOM 954 OE1 GLN A 60 17.738 -6.129 -10.849 1.00 0.00 O ATOM 955 NE2 GLN A 60 19.692 -6.976 -11.552 1.00 0.00 N ATOM 0 H GLN A 60 23.346 -5.633 -8.866 1.00 0.00 H new ATOM 0 HA GLN A 60 22.040 -3.374 -10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.640 -5.778 -10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.994 -6.028 -9.005 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.141 -4.497 -9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.816 -4.092 -11.026 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.707 -6.885 -11.591 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.234 -7.771 -11.997 1.00 0.00 H new ATOM 964 N LEU A 61 21.407 -4.130 -6.913 1.00 0.00 N ATOM 965 CA LEU A 61 20.885 -3.591 -5.658 1.00 0.00 C ATOM 966 C LEU A 61 21.434 -2.185 -5.418 1.00 0.00 C ATOM 967 O LEU A 61 20.711 -1.282 -4.996 1.00 0.00 O ATOM 968 CB LEU A 61 21.269 -4.499 -4.478 1.00 0.00 C ATOM 969 CG LEU A 61 20.718 -5.934 -4.516 1.00 0.00 C ATOM 970 CD1 LEU A 61 21.271 -6.748 -3.350 1.00 0.00 C ATOM 971 CD2 LEU A 61 19.194 -5.930 -4.488 1.00 0.00 C ATOM 0 H LEU A 61 21.856 -5.041 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 61 19.798 -3.547 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.357 -4.551 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.928 -4.026 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 61 21.040 -6.399 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.871 -7.761 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 61 22.358 -6.784 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.979 -6.281 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.827 -6.956 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.848 -5.445 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.816 -5.386 -5.353 1.00 0.00 H new ATOM 983 N ALA A 62 22.724 -2.018 -5.703 1.00 0.00 N ATOM 984 CA ALA A 62 23.401 -0.739 -5.520 1.00 0.00 C ATOM 985 C ALA A 62 22.780 0.343 -6.401 1.00 0.00 C ATOM 986 O ALA A 62 22.605 1.479 -5.966 1.00 0.00 O ATOM 987 CB ALA A 62 24.890 -0.882 -5.820 1.00 0.00 C ATOM 0 H ALA A 62 23.324 -2.760 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 62 23.279 -0.436 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.383 0.080 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.328 -1.617 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.024 -1.211 -6.850 1.00 0.00 H new ATOM 993 N GLN A 63 22.428 -0.028 -7.634 1.00 0.00 N ATOM 994 CA GLN A 63 21.890 0.929 -8.600 1.00 0.00 C ATOM 995 C GLN A 63 20.583 1.534 -8.088 1.00 0.00 C ATOM 996 O GLN A 63 20.483 2.751 -7.900 1.00 0.00 O ATOM 997 CB GLN A 63 21.667 0.258 -9.964 1.00 0.00 C ATOM 998 CG GLN A 63 22.915 -0.410 -10.533 1.00 0.00 C ATOM 999 CD GLN A 63 24.090 0.546 -10.672 1.00 0.00 C ATOM 1000 OE1 GLN A 63 24.280 1.171 -11.717 1.00 0.00 O ATOM 1001 NE2 GLN A 63 24.884 0.669 -9.618 1.00 0.00 N ATOM 0 H GLN A 63 22.506 -0.982 -7.985 1.00 0.00 H new ATOM 0 HA GLN A 63 22.619 1.730 -8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 63 20.879 -0.489 -9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.311 1.006 -10.673 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.203 -1.239 -9.887 1.00 0.00 H new ATOM 0 HG3 GLN A 63 22.681 -0.833 -11.510 1.00 0.00 H new ATOM 0 HE21 GLN A 63 24.693 0.134 -8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 63 25.686 1.298 -9.654 1.00 0.00 H new ATOM 1010 N GLU A 64 19.597 0.677 -7.843 1.00 0.00 N ATOM 1011 CA GLU A 64 18.296 1.123 -7.351 1.00 0.00 C ATOM 1012 C GLU A 64 18.427 1.834 -5.998 1.00 0.00 C ATOM 1013 O GLU A 64 17.907 2.938 -5.822 1.00 0.00 O ATOM 1014 CB GLU A 64 17.319 -0.064 -7.243 1.00 0.00 C ATOM 1015 CG GLU A 64 16.604 -0.423 -8.548 1.00 0.00 C ATOM 1016 CD GLU A 64 17.545 -0.803 -9.684 1.00 0.00 C ATOM 1017 OE1 GLU A 64 17.918 -1.989 -9.784 1.00 0.00 O ATOM 1018 OE2 GLU A 64 17.893 0.081 -10.498 1.00 0.00 O ATOM 0 H GLU A 64 19.673 -0.331 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 64 17.896 1.838 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.868 -0.938 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.570 0.167 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.923 -1.253 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.995 0.425 -8.862 1.00 0.00 H new ATOM 1025 N ALA A 65 19.143 1.214 -5.058 1.00 0.00 N ATOM 1026 CA ALA A 65 19.274 1.757 -3.702 1.00 0.00 C ATOM 1027 C ALA A 65 19.902 3.150 -3.708 1.00 0.00 C ATOM 1028 O ALA A 65 19.430 4.057 -3.019 1.00 0.00 O ATOM 1029 CB ALA A 65 20.095 0.819 -2.822 1.00 0.00 C ATOM 0 H ALA A 65 19.641 0.337 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 65 18.268 1.843 -3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.180 1.241 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.602 -0.152 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.090 0.697 -3.250 1.00 0.00 H new ATOM 1035 N ARG A 66 20.966 3.312 -4.489 1.00 0.00 N ATOM 1036 CA ARG A 66 21.695 4.577 -4.552 1.00 0.00 C ATOM 1037 C ARG A 66 20.818 5.675 -5.151 1.00 0.00 C ATOM 1038 O ARG A 66 20.910 6.841 -4.762 1.00 0.00 O ATOM 1039 CB ARG A 66 22.976 4.399 -5.373 1.00 0.00 C ATOM 1040 CG ARG A 66 23.894 5.616 -5.389 1.00 0.00 C ATOM 1041 CD ARG A 66 25.151 5.346 -6.204 1.00 0.00 C ATOM 1042 NE ARG A 66 26.064 6.490 -6.211 1.00 0.00 N ATOM 1043 CZ ARG A 66 27.186 6.547 -6.930 1.00 0.00 C ATOM 1044 NH1 ARG A 66 27.555 5.518 -7.684 1.00 0.00 N ATOM 1045 NH2 ARG A 66 27.945 7.632 -6.871 1.00 0.00 N ATOM 0 H ARG A 66 21.345 2.580 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 66 21.966 4.878 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.530 3.548 -4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.703 4.153 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.362 6.470 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 66 24.169 5.881 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 66 25.666 4.476 -5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 66 24.871 5.101 -7.229 1.00 0.00 H new ATOM 0 HE ARG A 66 25.827 7.294 -5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 66 26.979 4.677 -7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 66 28.414 5.569 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 66 27.670 8.415 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 66 28.805 7.683 -7.418 1.00 0.00 H new ATOM 1059 N ASN A 67 19.959 5.289 -6.089 1.00 0.00 N ATOM 1060 CA ASN A 67 19.005 6.219 -6.684 1.00 0.00 C ATOM 1061 C ASN A 67 17.993 6.664 -5.632 1.00 0.00 C ATOM 1062 O ASN A 67 17.764 7.859 -5.444 1.00 0.00 O ATOM 1063 CB ASN A 67 18.290 5.579 -7.881 1.00 0.00 C ATOM 1064 CG ASN A 67 19.200 5.409 -9.092 1.00 0.00 C ATOM 1065 OD1 ASN A 67 20.116 6.202 -9.319 1.00 0.00 O ATOM 1066 ND2 ASN A 67 18.954 4.373 -9.878 1.00 0.00 N ATOM 0 H ASN A 67 19.904 4.338 -6.454 1.00 0.00 H new ATOM 0 HA ASN A 67 19.549 7.091 -7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.899 4.605 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.435 6.195 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 67 19.531 4.210 -10.703 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.187 3.737 -9.659 1.00 0.00 H new ATOM 1073 N ILE A 68 17.416 5.689 -4.925 1.00 0.00 N ATOM 1074 CA ILE A 68 16.487 5.970 -3.829 1.00 0.00 C ATOM 1075 C ILE A 68 17.130 6.938 -2.835 1.00 0.00 C ATOM 1076 O ILE A 68 16.498 7.885 -2.359 1.00 0.00 O ATOM 1077 CB ILE A 68 16.079 4.671 -3.082 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.402 3.679 -4.044 1.00 0.00 C ATOM 1079 CG2 ILE A 68 15.155 4.991 -1.905 1.00 0.00 C ATOM 1080 CD1 ILE A 68 15.067 2.342 -3.409 1.00 0.00 C ATOM 0 H ILE A 68 17.577 4.696 -5.093 1.00 0.00 H new ATOM 0 HA ILE A 68 15.592 6.417 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 68 16.984 4.206 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.486 4.128 -4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.058 3.511 -4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.881 4.067 -1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.670 5.651 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.255 5.483 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.593 1.697 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.982 1.871 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.386 2.497 -2.572 1.00 0.00 H new ATOM 1092 N TYR A 69 18.403 6.687 -2.548 1.00 0.00 N ATOM 1093 CA TYR A 69 19.185 7.522 -1.646 1.00 0.00 C ATOM 1094 C TYR A 69 19.235 8.968 -2.143 1.00 0.00 C ATOM 1095 O TYR A 69 18.814 9.888 -1.443 1.00 0.00 O ATOM 1096 CB TYR A 69 20.607 6.951 -1.517 1.00 0.00 C ATOM 1097 CG TYR A 69 21.553 7.794 -0.677 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.517 7.745 0.713 1.00 0.00 C ATOM 1099 CD2 TYR A 69 22.489 8.632 -1.279 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.387 8.503 1.479 1.00 0.00 C ATOM 1101 CE2 TYR A 69 23.358 9.392 -0.523 1.00 0.00 C ATOM 1102 CZ TYR A 69 23.303 9.327 0.855 1.00 0.00 C ATOM 1103 OH TYR A 69 24.172 10.081 1.612 1.00 0.00 O ATOM 0 H TYR A 69 18.921 5.898 -2.935 1.00 0.00 H new ATOM 0 HA TYR A 69 18.706 7.521 -0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.546 5.954 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 69 21.031 6.838 -2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.798 7.105 1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 69 22.535 8.688 -2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.349 8.450 2.557 1.00 0.00 H new ATOM 0 HE2 TYR A 69 24.078 10.035 -1.007 1.00 0.00 H new ATOM 0 HH TYR A 69 24.752 10.605 1.020 1.00 0.00 H new ATOM 1113 N GLN A 70 19.728 9.160 -3.363 1.00 0.00 N ATOM 1114 CA GLN A 70 19.944 10.503 -3.898 1.00 0.00 C ATOM 1115 C GLN A 70 18.626 11.237 -4.165 1.00 0.00 C ATOM 1116 O GLN A 70 18.564 12.462 -4.057 1.00 0.00 O ATOM 1117 CB GLN A 70 20.801 10.450 -5.168 1.00 0.00 C ATOM 1118 CG GLN A 70 22.235 9.997 -4.911 1.00 0.00 C ATOM 1119 CD GLN A 70 23.092 10.015 -6.165 1.00 0.00 C ATOM 1120 OE1 GLN A 70 23.152 9.036 -6.908 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.771 11.127 -6.406 1.00 0.00 N ATOM 0 H GLN A 70 19.985 8.406 -3.999 1.00 0.00 H new ATOM 0 HA GLN A 70 20.481 11.070 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.336 9.772 -5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.817 11.438 -5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.686 10.644 -4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 70 22.224 8.988 -4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 70 23.696 11.919 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 70 24.368 11.191 -7.230 1.00 0.00 H new ATOM 1130 N GLU A 71 17.577 10.494 -4.496 1.00 0.00 N ATOM 1131 CA GLU A 71 16.284 11.100 -4.814 1.00 0.00 C ATOM 1132 C GLU A 71 15.485 11.459 -3.561 1.00 0.00 C ATOM 1133 O GLU A 71 14.947 12.565 -3.464 1.00 0.00 O ATOM 1134 CB GLU A 71 15.446 10.175 -5.720 1.00 0.00 C ATOM 1135 CG GLU A 71 15.661 10.391 -7.218 1.00 0.00 C ATOM 1136 CD GLU A 71 17.082 10.108 -7.680 1.00 0.00 C ATOM 1137 OE1 GLU A 71 17.920 11.032 -7.651 1.00 0.00 O ATOM 1138 OE2 GLU A 71 17.361 8.967 -8.105 1.00 0.00 O ATOM 0 H GLU A 71 17.593 9.476 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 71 16.500 12.025 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.682 9.139 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.390 10.323 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.974 9.750 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.406 11.421 -7.468 1.00 0.00 H new ATOM 1145 N PHE A 72 15.405 10.535 -2.606 1.00 0.00 N ATOM 1146 CA PHE A 72 14.493 10.690 -1.466 1.00 0.00 C ATOM 1147 C PHE A 72 15.225 10.965 -0.149 1.00 0.00 C ATOM 1148 O PHE A 72 14.652 11.568 0.763 1.00 0.00 O ATOM 1149 CB PHE A 72 13.634 9.423 -1.302 1.00 0.00 C ATOM 1150 CG PHE A 72 12.818 9.061 -2.520 1.00 0.00 C ATOM 1151 CD1 PHE A 72 13.342 8.233 -3.502 1.00 0.00 C ATOM 1152 CD2 PHE A 72 11.527 9.544 -2.679 1.00 0.00 C ATOM 1153 CE1 PHE A 72 12.598 7.898 -4.617 1.00 0.00 C ATOM 1154 CE2 PHE A 72 10.778 9.212 -3.792 1.00 0.00 C ATOM 1155 CZ PHE A 72 11.315 8.388 -4.763 1.00 0.00 C ATOM 0 H PHE A 72 15.955 9.676 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 72 13.868 11.555 -1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.287 8.586 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.960 9.562 -0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.344 7.845 -3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.102 10.188 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.020 7.253 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.775 9.596 -3.903 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.732 8.128 -5.634 1.00 0.00 H new ATOM 1165 N LEU A 73 16.478 10.527 -0.037 1.00 0.00 N ATOM 1166 CA LEU A 73 17.145 10.477 1.270 1.00 0.00 C ATOM 1167 C LEU A 73 18.435 11.304 1.330 1.00 0.00 C ATOM 1168 O LEU A 73 19.100 11.332 2.371 1.00 0.00 O ATOM 1169 CB LEU A 73 17.443 9.010 1.623 1.00 0.00 C ATOM 1170 CG LEU A 73 16.218 8.075 1.609 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.635 6.623 1.822 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.198 8.507 2.662 1.00 0.00 C ATOM 0 H LEU A 73 17.047 10.206 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 73 16.466 10.922 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.182 8.626 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.896 8.975 2.614 1.00 0.00 H new ATOM 0 HG LEU A 73 15.749 8.148 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.751 5.985 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.315 6.319 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.137 6.526 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.341 7.834 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.657 8.471 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.867 9.524 2.452 1.00 0.00 H new ATOM 1184 N SER A 74 18.787 11.988 0.242 1.00 0.00 N ATOM 1185 CA SER A 74 20.040 12.748 0.201 1.00 0.00 C ATOM 1186 C SER A 74 19.946 14.031 1.038 1.00 0.00 C ATOM 1187 O SER A 74 18.957 14.248 1.743 1.00 0.00 O ATOM 1188 CB SER A 74 20.422 13.072 -1.247 1.00 0.00 C ATOM 1189 OG SER A 74 19.465 13.914 -1.862 1.00 0.00 O ATOM 0 H SER A 74 18.232 12.033 -0.613 1.00 0.00 H new ATOM 0 HA SER A 74 20.822 12.127 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.399 13.555 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.512 12.147 -1.816 1.00 0.00 H new ATOM 0 HG SER A 74 19.145 13.496 -2.689 1.00 0.00 H new ATOM 1195 N SER A 75 20.985 14.870 0.955 1.00 0.00 N ATOM 1196 CA SER A 75 21.085 16.092 1.755 1.00 0.00 C ATOM 1197 C SER A 75 19.789 16.908 1.706 1.00 0.00 C ATOM 1198 O SER A 75 19.206 17.227 2.746 1.00 0.00 O ATOM 1199 CB SER A 75 22.264 16.934 1.253 1.00 0.00 C ATOM 1200 OG SER A 75 23.439 16.141 1.152 1.00 0.00 O ATOM 0 H SER A 75 21.778 14.720 0.332 1.00 0.00 H new ATOM 0 HA SER A 75 21.252 15.809 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.023 17.362 0.280 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.439 17.767 1.934 1.00 0.00 H new ATOM 0 HG SER A 75 24.180 16.694 0.829 1.00 0.00 H new ATOM 1206 N GLN A 76 19.350 17.241 0.495 1.00 0.00 N ATOM 1207 CA GLN A 76 18.094 17.967 0.291 1.00 0.00 C ATOM 1208 C GLN A 76 17.097 17.080 -0.451 1.00 0.00 C ATOM 1209 O GLN A 76 15.891 17.136 -0.195 1.00 0.00 O ATOM 1210 CB GLN A 76 18.345 19.264 -0.493 1.00 0.00 C ATOM 1211 CG GLN A 76 19.307 20.232 0.195 1.00 0.00 C ATOM 1212 CD GLN A 76 18.764 20.808 1.496 1.00 0.00 C ATOM 1213 OE1 GLN A 76 17.964 20.184 2.196 1.00 0.00 O ATOM 1214 NE2 GLN A 76 19.196 22.012 1.831 1.00 0.00 N ATOM 0 H GLN A 76 19.848 17.019 -0.367 1.00 0.00 H new ATOM 0 HA GLN A 76 17.677 18.230 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 76 18.742 19.011 -1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.392 19.769 -0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 76 20.245 19.715 0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.536 21.050 -0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.858 22.502 1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.867 22.451 2.691 1.00 0.00 H new ATOM 1223 N ALA A 77 17.627 16.270 -1.370 1.00 0.00 N ATOM 1224 CA ALA A 77 16.845 15.280 -2.114 1.00 0.00 C ATOM 1225 C ALA A 77 15.931 15.931 -3.152 1.00 0.00 C ATOM 1226 O ALA A 77 15.459 17.057 -2.975 1.00 0.00 O ATOM 1227 CB ALA A 77 16.052 14.387 -1.162 1.00 0.00 C ATOM 0 H ALA A 77 18.616 16.282 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 77 17.550 14.655 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.479 13.660 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.739 13.864 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.371 14.999 -0.571 1.00 0.00 H new ATOM 1233 N LEU A 78 15.699 15.209 -4.244 1.00 0.00 N ATOM 1234 CA LEU A 78 14.855 15.694 -5.332 1.00 0.00 C ATOM 1235 C LEU A 78 13.390 15.671 -4.909 1.00 0.00 C ATOM 1236 O LEU A 78 12.604 16.544 -5.287 1.00 0.00 O ATOM 1237 CB LEU A 78 15.054 14.840 -6.598 1.00 0.00 C ATOM 1238 CG LEU A 78 16.414 14.999 -7.317 1.00 0.00 C ATOM 1239 CD1 LEU A 78 17.575 14.533 -6.439 1.00 0.00 C ATOM 1240 CD2 LEU A 78 16.409 14.242 -8.643 1.00 0.00 C ATOM 0 H LEU A 78 16.087 14.279 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 78 15.143 16.720 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 78 14.929 13.791 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 78 14.261 15.084 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 78 16.559 16.061 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.513 14.660 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 78 17.600 15.125 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 78 17.441 13.481 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.374 14.365 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 78 16.229 13.183 -8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 78 15.621 14.637 -9.284 1.00 0.00 H new ATOM 1252 N SER A 79 13.035 14.660 -4.124 1.00 0.00 N ATOM 1253 CA SER A 79 11.692 14.521 -3.580 1.00 0.00 C ATOM 1254 C SER A 79 11.758 13.716 -2.278 1.00 0.00 C ATOM 1255 O SER A 79 11.634 12.493 -2.292 1.00 0.00 O ATOM 1256 CB SER A 79 10.768 13.832 -4.597 1.00 0.00 C ATOM 1257 OG SER A 79 10.778 14.511 -5.845 1.00 0.00 O ATOM 0 H SER A 79 13.672 13.913 -3.847 1.00 0.00 H new ATOM 0 HA SER A 79 11.282 15.509 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.086 12.799 -4.740 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.751 13.801 -4.205 1.00 0.00 H new ATOM 0 HG SER A 79 10.183 14.050 -6.473 1.00 0.00 H new ATOM 1263 N PRO A 80 12.000 14.393 -1.139 1.00 0.00 N ATOM 1264 CA PRO A 80 12.175 13.725 0.157 1.00 0.00 C ATOM 1265 C PRO A 80 10.862 13.178 0.723 1.00 0.00 C ATOM 1266 O PRO A 80 9.783 13.718 0.465 1.00 0.00 O ATOM 1267 CB PRO A 80 12.736 14.838 1.053 1.00 0.00 C ATOM 1268 CG PRO A 80 12.202 16.099 0.462 1.00 0.00 C ATOM 1269 CD PRO A 80 12.126 15.862 -1.026 1.00 0.00 C ATOM 0 HA PRO A 80 12.824 12.852 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.412 14.716 2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.826 14.832 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.219 16.335 0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.853 16.943 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.272 16.373 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.017 16.228 -1.536 1.00 0.00 H new ATOM 1277 N VAL A 81 10.969 12.099 1.491 1.00 0.00 N ATOM 1278 CA VAL A 81 9.813 11.488 2.148 1.00 0.00 C ATOM 1279 C VAL A 81 9.757 11.880 3.620 1.00 0.00 C ATOM 1280 O VAL A 81 10.769 12.280 4.203 1.00 0.00 O ATOM 1281 CB VAL A 81 9.837 9.946 2.034 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.481 9.501 0.623 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.201 9.391 2.443 1.00 0.00 C ATOM 0 H VAL A 81 11.852 11.624 1.677 1.00 0.00 H new ATOM 0 HA VAL A 81 8.925 11.860 1.637 1.00 0.00 H new ATOM 0 HB VAL A 81 9.087 9.548 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.505 8.413 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.482 9.855 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.202 9.916 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.193 8.305 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.972 9.803 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.412 9.669 3.475 1.00 0.00 H new ATOM 1293 N ASN A 82 8.578 11.738 4.220 1.00 0.00 N ATOM 1294 CA ASN A 82 8.357 12.154 5.604 1.00 0.00 C ATOM 1295 C ASN A 82 8.859 11.094 6.594 1.00 0.00 C ATOM 1296 O ASN A 82 8.085 10.496 7.343 1.00 0.00 O ATOM 1297 CB ASN A 82 6.866 12.457 5.836 1.00 0.00 C ATOM 1298 CG ASN A 82 6.585 13.047 7.211 1.00 0.00 C ATOM 1299 OD1 ASN A 82 5.386 12.813 7.725 1.00 0.00 O flip ATOM 1300 ND2 ASN A 82 7.433 13.722 7.800 1.00 0.00 N flip ATOM 0 H ASN A 82 7.757 11.336 3.768 1.00 0.00 H new ATOM 0 HA ASN A 82 8.931 13.064 5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.519 13.152 5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.292 11.538 5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.345 13.881 7.373 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.222 14.121 8.714 1.00 0.00 H new ATOM 1307 N ILE A 83 10.167 10.854 6.568 1.00 0.00 N ATOM 1308 CA ILE A 83 10.831 9.967 7.529 1.00 0.00 C ATOM 1309 C ILE A 83 12.110 10.632 8.017 1.00 0.00 C ATOM 1310 O ILE A 83 12.471 11.715 7.537 1.00 0.00 O ATOM 1311 CB ILE A 83 11.187 8.583 6.921 1.00 0.00 C ATOM 1312 CG1 ILE A 83 12.208 8.743 5.780 1.00 0.00 C ATOM 1313 CG2 ILE A 83 9.932 7.857 6.439 1.00 0.00 C ATOM 1314 CD1 ILE A 83 12.591 7.439 5.112 1.00 0.00 C ATOM 0 H ILE A 83 10.799 11.267 5.882 1.00 0.00 H new ATOM 0 HA ILE A 83 10.134 9.797 8.349 1.00 0.00 H new ATOM 0 HB ILE A 83 11.642 7.973 7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.796 9.417 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.108 9.216 6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.210 6.891 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.254 7.705 7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.436 8.456 5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 83 13.313 7.635 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.034 6.769 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.702 6.974 4.686 1.00 0.00 H new ATOM 1326 N ASP A 84 12.805 9.994 8.947 1.00 0.00 N ATOM 1327 CA ASP A 84 14.050 10.543 9.467 1.00 0.00 C ATOM 1328 C ASP A 84 15.232 9.995 8.678 1.00 0.00 C ATOM 1329 O ASP A 84 15.250 8.826 8.292 1.00 0.00 O ATOM 1330 CB ASP A 84 14.226 10.224 10.963 1.00 0.00 C ATOM 1331 CG ASP A 84 14.601 8.776 11.230 1.00 0.00 C ATOM 1332 OD1 ASP A 84 13.689 7.933 11.375 1.00 0.00 O ATOM 1333 OD2 ASP A 84 15.815 8.480 11.306 1.00 0.00 O ATOM 0 H ASP A 84 12.531 9.101 9.356 1.00 0.00 H new ATOM 0 HA ASP A 84 14.009 11.627 9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.997 10.874 11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.299 10.454 11.488 1.00 0.00 H new ATOM 1338 N ARG A 85 16.194 10.861 8.398 1.00 0.00 N ATOM 1339 CA ARG A 85 17.474 10.441 7.837 1.00 0.00 C ATOM 1340 C ARG A 85 18.561 10.683 8.876 1.00 0.00 C ATOM 1341 O ARG A 85 19.751 10.734 8.562 1.00 0.00 O ATOM 1342 CB ARG A 85 17.791 11.193 6.531 1.00 0.00 C ATOM 1343 CG ARG A 85 16.873 10.834 5.358 1.00 0.00 C ATOM 1344 CD ARG A 85 15.506 11.506 5.457 1.00 0.00 C ATOM 1345 NE ARG A 85 15.597 12.961 5.300 1.00 0.00 N ATOM 1346 CZ ARG A 85 14.547 13.788 5.334 1.00 0.00 C ATOM 1347 NH1 ARG A 85 13.327 13.319 5.566 1.00 0.00 N ATOM 1348 NH2 ARG A 85 14.720 15.091 5.145 1.00 0.00 N ATOM 0 H ARG A 85 16.114 11.866 8.551 1.00 0.00 H new ATOM 0 HA ARG A 85 17.426 9.381 7.589 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.722 12.265 6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.823 10.985 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 85 17.351 11.128 4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 85 16.741 9.753 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.846 11.099 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.056 11.273 6.422 1.00 0.00 H new ATOM 0 HE ARG A 85 16.521 13.368 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.185 12.321 5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.531 13.957 5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.655 15.462 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.918 15.721 5.171 1.00 0.00 H new ATOM 1362 N GLN A 86 18.124 10.813 10.125 1.00 0.00 N ATOM 1363 CA GLN A 86 19.008 11.123 11.241 1.00 0.00 C ATOM 1364 C GLN A 86 19.478 9.825 11.896 1.00 0.00 C ATOM 1365 O GLN A 86 20.666 9.638 12.167 1.00 0.00 O ATOM 1366 CB GLN A 86 18.267 11.997 12.267 1.00 0.00 C ATOM 1367 CG GLN A 86 17.458 13.137 11.649 1.00 0.00 C ATOM 1368 CD GLN A 86 18.297 14.084 10.805 1.00 0.00 C ATOM 1369 OE1 GLN A 86 18.466 13.883 9.601 1.00 0.00 O ATOM 1370 NE2 GLN A 86 18.812 15.132 11.424 1.00 0.00 N ATOM 0 H GLN A 86 17.145 10.706 10.391 1.00 0.00 H new ATOM 0 HA GLN A 86 19.876 11.672 10.875 1.00 0.00 H new ATOM 0 HB2 GLN A 86 17.597 11.365 12.850 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.994 12.417 12.962 1.00 0.00 H new ATOM 0 HG2 GLN A 86 16.665 12.716 11.030 1.00 0.00 H new ATOM 0 HG3 GLN A 86 16.975 13.703 12.445 1.00 0.00 H new ATOM 0 HE21 GLN A 86 18.650 15.265 12.422 1.00 0.00 H new ATOM 0 HE22 GLN A 86 19.371 15.808 10.903 1.00 0.00 H new ATOM 1379 N ALA A 87 18.524 8.927 12.125 1.00 0.00 N ATOM 1380 CA ALA A 87 18.797 7.623 12.720 1.00 0.00 C ATOM 1381 C ALA A 87 18.819 6.549 11.633 1.00 0.00 C ATOM 1382 O ALA A 87 18.647 5.356 11.902 1.00 0.00 O ATOM 1383 CB ALA A 87 17.737 7.308 13.769 1.00 0.00 C ATOM 0 H ALA A 87 17.541 9.083 11.903 1.00 0.00 H new ATOM 0 HA ALA A 87 19.773 7.641 13.204 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.942 6.334 14.213 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.756 8.072 14.546 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.754 7.293 13.299 1.00 0.00 H new ATOM 1389 N TRP A 88 19.045 6.996 10.401 1.00 0.00 N ATOM 1390 CA TRP A 88 19.060 6.122 9.235 1.00 0.00 C ATOM 1391 C TRP A 88 20.342 5.280 9.224 1.00 0.00 C ATOM 1392 O TRP A 88 21.236 5.491 10.047 1.00 0.00 O ATOM 1393 CB TRP A 88 18.948 6.979 7.963 1.00 0.00 C ATOM 1394 CG TRP A 88 18.567 6.213 6.732 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.383 5.576 6.503 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.357 6.024 5.551 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.393 4.991 5.261 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.594 5.255 4.658 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.638 6.427 5.166 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 19.066 4.882 3.406 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 21.105 6.056 3.919 1.00 0.00 C ATOM 1402 CH2 TRP A 88 20.321 5.292 3.053 1.00 0.00 C ATOM 0 H TRP A 88 19.223 7.977 10.184 1.00 0.00 H new ATOM 0 HA TRP A 88 18.213 5.437 9.273 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.210 7.763 8.132 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.903 7.473 7.787 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.557 5.537 7.198 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.631 4.449 4.854 1.00 0.00 H new ATOM 0 HE3 TRP A 88 21.252 7.017 5.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.462 4.289 2.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 22.093 6.362 3.610 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.714 5.019 2.085 1.00 0.00 H new ATOM 1413 N LEU A 89 20.430 4.333 8.291 1.00 0.00 N ATOM 1414 CA LEU A 89 21.579 3.430 8.214 1.00 0.00 C ATOM 1415 C LEU A 89 22.857 4.220 7.930 1.00 0.00 C ATOM 1416 O LEU A 89 23.770 4.268 8.752 1.00 0.00 O ATOM 1417 CB LEU A 89 21.370 2.357 7.125 1.00 0.00 C ATOM 1418 CG LEU A 89 20.199 1.374 7.353 1.00 0.00 C ATOM 1419 CD1 LEU A 89 18.847 2.056 7.142 1.00 0.00 C ATOM 1420 CD2 LEU A 89 20.333 0.152 6.443 1.00 0.00 C ATOM 0 H LEU A 89 19.719 4.171 7.577 1.00 0.00 H new ATOM 0 HA LEU A 89 21.676 2.927 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 89 21.213 2.862 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.290 1.779 7.032 1.00 0.00 H new ATOM 0 HG LEU A 89 20.245 1.041 8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 89 18.046 1.336 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.744 2.884 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.786 2.435 6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.499 -0.527 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 89 20.326 0.472 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 89 21.270 -0.361 6.659 1.00 0.00 H new ATOM 1432 N GLY A 90 22.906 4.844 6.759 1.00 0.00 N ATOM 1433 CA GLY A 90 24.055 5.647 6.380 1.00 0.00 C ATOM 1434 C GLY A 90 24.548 5.304 4.989 1.00 0.00 C ATOM 1435 O GLY A 90 23.910 4.532 4.274 1.00 0.00 O ATOM 0 H GLY A 90 22.164 4.808 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.789 6.703 6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.859 5.492 7.099 1.00 0.00 H new ATOM 1439 N GLU A 91 25.693 5.860 4.618 1.00 0.00 N ATOM 1440 CA GLU A 91 26.278 5.641 3.296 1.00 0.00 C ATOM 1441 C GLU A 91 26.796 4.203 3.157 1.00 0.00 C ATOM 1442 O GLU A 91 27.051 3.723 2.047 1.00 0.00 O ATOM 1443 CB GLU A 91 27.410 6.653 3.066 1.00 0.00 C ATOM 1444 CG GLU A 91 26.944 8.106 3.126 1.00 0.00 C ATOM 1445 CD GLU A 91 28.093 9.102 3.096 1.00 0.00 C ATOM 1446 OE1 GLU A 91 28.548 9.468 1.989 1.00 0.00 O ATOM 1447 OE2 GLU A 91 28.548 9.526 4.181 1.00 0.00 O ATOM 0 H GLU A 91 26.243 6.473 5.219 1.00 0.00 H new ATOM 0 HA GLU A 91 25.508 5.787 2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 91 28.186 6.496 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.864 6.464 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 91 26.278 8.303 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 91 26.363 8.258 4.036 1.00 0.00 H new ATOM 1454 N GLU A 92 26.904 3.514 4.293 1.00 0.00 N ATOM 1455 CA GLU A 92 27.445 2.160 4.352 1.00 0.00 C ATOM 1456 C GLU A 92 26.555 1.188 3.587 1.00 0.00 C ATOM 1457 O GLU A 92 27.032 0.203 3.019 1.00 0.00 O ATOM 1458 CB GLU A 92 27.576 1.706 5.818 1.00 0.00 C ATOM 1459 CG GLU A 92 26.257 1.732 6.589 1.00 0.00 C ATOM 1460 CD GLU A 92 26.395 1.247 8.027 1.00 0.00 C ATOM 1461 OE1 GLU A 92 26.360 0.016 8.249 1.00 0.00 O ATOM 1462 OE2 GLU A 92 26.533 2.093 8.939 1.00 0.00 O ATOM 0 H GLU A 92 26.617 3.882 5.200 1.00 0.00 H new ATOM 0 HA GLU A 92 28.431 2.165 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.980 0.694 5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 92 28.296 2.348 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.864 2.749 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.528 1.110 6.070 1.00 0.00 H new ATOM 1469 N VAL A 93 25.258 1.474 3.566 1.00 0.00 N ATOM 1470 CA VAL A 93 24.296 0.580 2.939 1.00 0.00 C ATOM 1471 C VAL A 93 24.227 0.821 1.427 1.00 0.00 C ATOM 1472 O VAL A 93 23.668 0.017 0.680 1.00 0.00 O ATOM 1473 CB VAL A 93 22.889 0.711 3.581 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.311 2.105 3.360 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.940 -0.371 3.061 1.00 0.00 C ATOM 0 H VAL A 93 24.851 2.315 3.975 1.00 0.00 H new ATOM 0 HA VAL A 93 24.642 -0.440 3.108 1.00 0.00 H new ATOM 0 HB VAL A 93 23.000 0.564 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.325 2.167 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 93 22.970 2.848 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.225 2.298 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.963 -0.253 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.838 -0.277 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.342 -1.355 3.303 1.00 0.00 H new ATOM 1485 N LEU A 94 24.808 1.935 0.978 1.00 0.00 N ATOM 1486 CA LEU A 94 24.912 2.221 -0.454 1.00 0.00 C ATOM 1487 C LEU A 94 26.183 1.589 -1.014 1.00 0.00 C ATOM 1488 O LEU A 94 26.257 1.259 -2.200 1.00 0.00 O ATOM 1489 CB LEU A 94 24.905 3.735 -0.733 1.00 0.00 C ATOM 1490 CG LEU A 94 23.579 4.466 -0.441 1.00 0.00 C ATOM 1491 CD1 LEU A 94 22.396 3.723 -1.056 1.00 0.00 C ATOM 1492 CD2 LEU A 94 23.376 4.667 1.056 1.00 0.00 C ATOM 0 H LEU A 94 25.212 2.651 1.582 1.00 0.00 H new ATOM 0 HA LEU A 94 24.041 1.791 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 94 25.692 4.198 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 94 25.162 3.893 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 94 23.636 5.451 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 94 21.474 4.260 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 94 22.528 3.659 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 94 22.340 2.718 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 94 22.433 5.185 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.354 3.697 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.196 5.263 1.458 1.00 0.00 H new ATOM 1504 N ALA A 95 27.183 1.436 -0.152 1.00 0.00 N ATOM 1505 CA ALA A 95 28.414 0.741 -0.516 1.00 0.00 C ATOM 1506 C ALA A 95 28.176 -0.766 -0.518 1.00 0.00 C ATOM 1507 O ALA A 95 28.653 -1.488 -1.396 1.00 0.00 O ATOM 1508 CB ALA A 95 29.536 1.112 0.447 1.00 0.00 C ATOM 0 H ALA A 95 27.165 1.785 0.806 1.00 0.00 H new ATOM 0 HA ALA A 95 28.714 1.047 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.448 0.586 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.710 2.187 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.254 0.828 1.461 1.00 0.00 H new ATOM 1514 N GLU A 96 27.420 -1.226 0.475 1.00 0.00 N ATOM 1515 CA GLU A 96 27.056 -2.634 0.599 1.00 0.00 C ATOM 1516 C GLU A 96 25.530 -2.764 0.663 1.00 0.00 C ATOM 1517 O GLU A 96 24.930 -2.609 1.731 1.00 0.00 O ATOM 1518 CB GLU A 96 27.697 -3.235 1.857 1.00 0.00 C ATOM 1519 CG GLU A 96 29.205 -3.020 1.945 1.00 0.00 C ATOM 1520 CD GLU A 96 29.786 -3.490 3.268 1.00 0.00 C ATOM 1521 OE1 GLU A 96 29.720 -2.727 4.259 1.00 0.00 O ATOM 1522 OE2 GLU A 96 30.309 -4.624 3.330 1.00 0.00 O ATOM 0 H GLU A 96 27.043 -0.634 1.215 1.00 0.00 H new ATOM 0 HA GLU A 96 27.423 -3.180 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.226 -2.798 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.490 -4.305 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.692 -3.553 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.426 -1.961 1.811 1.00 0.00 H new ATOM 1529 N PRO A 97 24.874 -2.998 -0.487 1.00 0.00 N ATOM 1530 CA PRO A 97 23.417 -3.087 -0.561 1.00 0.00 C ATOM 1531 C PRO A 97 22.881 -4.497 -0.287 1.00 0.00 C ATOM 1532 O PRO A 97 23.602 -5.491 -0.410 1.00 0.00 O ATOM 1533 CB PRO A 97 23.142 -2.676 -2.006 1.00 0.00 C ATOM 1534 CG PRO A 97 24.319 -3.198 -2.769 1.00 0.00 C ATOM 1535 CD PRO A 97 25.497 -3.172 -1.816 1.00 0.00 C ATOM 0 HA PRO A 97 22.927 -2.468 0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.209 -3.105 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.054 -1.594 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.131 -4.211 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.516 -2.582 -3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.074 -4.095 -1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.180 -2.355 -2.047 1.00 0.00 H new ATOM 1543 N ARG A 98 21.604 -4.561 0.086 1.00 0.00 N ATOM 1544 CA ARG A 98 20.909 -5.820 0.349 1.00 0.00 C ATOM 1545 C ARG A 98 19.427 -5.664 -0.021 1.00 0.00 C ATOM 1546 O ARG A 98 18.916 -4.544 -0.019 1.00 0.00 O ATOM 1547 CB ARG A 98 21.076 -6.259 1.824 1.00 0.00 C ATOM 1548 CG ARG A 98 20.953 -5.134 2.857 1.00 0.00 C ATOM 1549 CD ARG A 98 22.304 -4.482 3.160 1.00 0.00 C ATOM 1550 NE ARG A 98 23.264 -5.443 3.715 1.00 0.00 N ATOM 1551 CZ ARG A 98 24.513 -5.139 4.089 1.00 0.00 C ATOM 1552 NH1 ARG A 98 24.982 -3.906 3.947 1.00 0.00 N ATOM 1553 NH2 ARG A 98 25.295 -6.082 4.595 1.00 0.00 N ATOM 0 H ARG A 98 21.019 -3.736 0.215 1.00 0.00 H new ATOM 0 HA ARG A 98 21.350 -6.605 -0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.327 -7.019 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.052 -6.730 1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.260 -4.378 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.528 -5.533 3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 98 22.711 -4.049 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.162 -3.663 3.865 1.00 0.00 H new ATOM 0 HE ARG A 98 22.958 -6.410 3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 98 24.389 -3.178 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 98 25.935 -3.687 4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 98 24.944 -7.034 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 98 26.247 -5.855 4.881 1.00 0.00 H new ATOM 1567 N PRO A 99 18.725 -6.777 -0.337 1.00 0.00 N ATOM 1568 CA PRO A 99 17.349 -6.740 -0.886 1.00 0.00 C ATOM 1569 C PRO A 99 16.360 -5.954 -0.019 1.00 0.00 C ATOM 1570 O PRO A 99 15.390 -5.392 -0.528 1.00 0.00 O ATOM 1571 CB PRO A 99 16.943 -8.225 -0.962 1.00 0.00 C ATOM 1572 CG PRO A 99 17.917 -8.941 -0.086 1.00 0.00 C ATOM 1573 CD PRO A 99 19.200 -8.164 -0.187 1.00 0.00 C ATOM 0 HA PRO A 99 17.328 -6.225 -1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.920 -8.372 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.989 -8.594 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.563 -8.980 0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.056 -9.971 -0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.819 -8.287 0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.800 -8.481 -1.040 1.00 0.00 H new ATOM 1581 N ASP A 100 16.601 -5.920 1.287 1.00 0.00 N ATOM 1582 CA ASP A 100 15.714 -5.213 2.214 1.00 0.00 C ATOM 1583 C ASP A 100 16.204 -3.784 2.430 1.00 0.00 C ATOM 1584 O ASP A 100 15.404 -2.859 2.562 1.00 0.00 O ATOM 1585 CB ASP A 100 15.633 -5.956 3.557 1.00 0.00 C ATOM 1586 CG ASP A 100 16.942 -5.926 4.330 1.00 0.00 C ATOM 1587 OD1 ASP A 100 17.982 -6.319 3.758 1.00 0.00 O ATOM 1588 OD2 ASP A 100 16.933 -5.529 5.517 1.00 0.00 O ATOM 0 H ASP A 100 17.401 -6.372 1.731 1.00 0.00 H new ATOM 0 HA ASP A 100 14.716 -5.179 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 100 14.847 -5.510 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 100 15.347 -6.992 3.376 1.00 0.00 H new ATOM 1593 N MET A 101 17.530 -3.628 2.444 1.00 0.00 N ATOM 1594 CA MET A 101 18.211 -2.335 2.611 1.00 0.00 C ATOM 1595 C MET A 101 17.544 -1.412 3.649 1.00 0.00 C ATOM 1596 O MET A 101 17.895 -1.452 4.830 1.00 0.00 O ATOM 1597 CB MET A 101 18.444 -1.625 1.246 1.00 0.00 C ATOM 1598 CG MET A 101 17.297 -1.711 0.231 1.00 0.00 C ATOM 1599 SD MET A 101 15.980 -0.507 0.507 1.00 0.00 S ATOM 1600 CE MET A 101 14.813 -0.974 -0.768 1.00 0.00 C ATOM 0 H MET A 101 18.176 -4.410 2.338 1.00 0.00 H new ATOM 0 HA MET A 101 19.191 -2.567 3.028 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.652 -0.573 1.439 1.00 0.00 H new ATOM 0 HB3 MET A 101 19.338 -2.048 0.788 1.00 0.00 H new ATOM 0 HG2 MET A 101 17.701 -1.569 -0.771 1.00 0.00 H new ATOM 0 HG3 MET A 101 16.871 -2.714 0.264 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.799 -0.759 -0.430 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.020 -0.408 -1.676 1.00 0.00 H new ATOM 0 HE3 MET A 101 14.908 -2.040 -0.975 1.00 0.00 H new ATOM 1610 N PHE A 102 16.572 -0.608 3.224 1.00 0.00 N ATOM 1611 CA PHE A 102 15.982 0.429 4.077 1.00 0.00 C ATOM 1612 C PHE A 102 14.596 -0.014 4.556 1.00 0.00 C ATOM 1613 O PHE A 102 13.789 0.806 4.993 1.00 0.00 O ATOM 1614 CB PHE A 102 15.866 1.764 3.309 1.00 0.00 C ATOM 1615 CG PHE A 102 16.973 2.031 2.310 1.00 0.00 C ATOM 1616 CD1 PHE A 102 18.296 1.736 2.604 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.677 2.571 1.064 1.00 0.00 C ATOM 1618 CE1 PHE A 102 19.295 1.976 1.679 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.673 2.812 0.139 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.985 2.514 0.447 1.00 0.00 C ATOM 0 H PHE A 102 16.172 -0.653 2.287 1.00 0.00 H new ATOM 0 HA PHE A 102 16.632 0.577 4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.912 1.780 2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 102 15.846 2.580 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 102 18.548 1.314 3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.652 2.806 0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 102 20.321 1.742 1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.426 3.233 -0.824 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.767 2.701 -0.274 1.00 0.00 H new ATOM 1630 N ARG A 103 14.372 -1.327 4.491 1.00 0.00 N ATOM 1631 CA ARG A 103 13.078 -1.969 4.767 1.00 0.00 C ATOM 1632 C ARG A 103 12.258 -1.252 5.845 1.00 0.00 C ATOM 1633 O ARG A 103 11.071 -0.979 5.652 1.00 0.00 O ATOM 1634 CB ARG A 103 13.330 -3.421 5.190 1.00 0.00 C ATOM 1635 CG ARG A 103 12.067 -4.259 5.366 1.00 0.00 C ATOM 1636 CD ARG A 103 12.405 -5.676 5.816 1.00 0.00 C ATOM 1637 NE ARG A 103 11.224 -6.537 5.878 1.00 0.00 N ATOM 1638 CZ ARG A 103 11.240 -7.800 6.305 1.00 0.00 C ATOM 1639 NH1 ARG A 103 12.367 -8.348 6.752 1.00 0.00 N ATOM 1640 NH2 ARG A 103 10.127 -8.521 6.285 1.00 0.00 N ATOM 0 H ARG A 103 15.101 -1.994 4.239 1.00 0.00 H new ATOM 0 HA ARG A 103 12.489 -1.920 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.966 -3.898 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.884 -3.421 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.414 -3.787 6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.517 -4.295 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.132 -6.109 5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.877 -5.640 6.798 1.00 0.00 H new ATOM 0 HE ARG A 103 10.332 -6.146 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.228 -7.801 6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.370 -9.315 7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.259 -8.109 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.139 -9.487 6.612 1.00 0.00 H new ATOM 1654 N ALA A 104 12.897 -0.949 6.970 1.00 0.00 N ATOM 1655 CA ALA A 104 12.221 -0.321 8.103 1.00 0.00 C ATOM 1656 C ALA A 104 11.592 1.019 7.709 1.00 0.00 C ATOM 1657 O ALA A 104 10.425 1.280 8.005 1.00 0.00 O ATOM 1658 CB ALA A 104 13.201 -0.134 9.254 1.00 0.00 C ATOM 0 H ALA A 104 13.889 -1.129 7.123 1.00 0.00 H new ATOM 0 HA ALA A 104 11.414 -0.980 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.690 0.335 10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.591 -1.104 9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.025 0.502 8.931 1.00 0.00 H new ATOM 1664 N GLN A 105 12.365 1.847 7.017 1.00 0.00 N ATOM 1665 CA GLN A 105 11.925 3.188 6.638 1.00 0.00 C ATOM 1666 C GLN A 105 10.833 3.133 5.568 1.00 0.00 C ATOM 1667 O GLN A 105 9.903 3.945 5.581 1.00 0.00 O ATOM 1668 CB GLN A 105 13.119 4.029 6.162 1.00 0.00 C ATOM 1669 CG GLN A 105 13.988 4.577 7.297 1.00 0.00 C ATOM 1670 CD GLN A 105 14.527 3.497 8.226 1.00 0.00 C ATOM 1671 OE1 GLN A 105 13.903 3.150 9.228 1.00 0.00 O ATOM 1672 NE2 GLN A 105 15.691 2.954 7.898 1.00 0.00 N ATOM 0 H GLN A 105 13.307 1.613 6.704 1.00 0.00 H new ATOM 0 HA GLN A 105 11.497 3.665 7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.740 3.420 5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.748 4.864 5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.825 5.128 6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.403 5.288 7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 105 16.181 3.266 7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 105 16.096 2.224 8.484 1.00 0.00 H new ATOM 1681 N GLN A 106 10.943 2.177 4.645 1.00 0.00 N ATOM 1682 CA GLN A 106 9.894 1.957 3.648 1.00 0.00 C ATOM 1683 C GLN A 106 8.585 1.585 4.337 1.00 0.00 C ATOM 1684 O GLN A 106 7.514 2.077 3.973 1.00 0.00 O ATOM 1685 CB GLN A 106 10.288 0.857 2.640 1.00 0.00 C ATOM 1686 CG GLN A 106 11.092 1.355 1.437 1.00 0.00 C ATOM 1687 CD GLN A 106 12.524 1.748 1.765 1.00 0.00 C ATOM 1688 OE1 GLN A 106 12.833 2.183 2.869 1.00 0.00 O ATOM 1689 NE2 GLN A 106 13.409 1.606 0.790 1.00 0.00 N ATOM 0 H GLN A 106 11.741 1.547 4.567 1.00 0.00 H new ATOM 0 HA GLN A 106 9.763 2.887 3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.871 0.097 3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.381 0.372 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.106 0.575 0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.581 2.215 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.115 1.241 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.384 1.862 0.945 1.00 0.00 H new ATOM 1698 N LEU A 107 8.682 0.722 5.343 1.00 0.00 N ATOM 1699 CA LEU A 107 7.511 0.304 6.101 1.00 0.00 C ATOM 1700 C LEU A 107 7.029 1.451 6.990 1.00 0.00 C ATOM 1701 O LEU A 107 5.848 1.532 7.328 1.00 0.00 O ATOM 1702 CB LEU A 107 7.823 -0.935 6.953 1.00 0.00 C ATOM 1703 CG LEU A 107 6.594 -1.638 7.557 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.735 -2.265 6.461 1.00 0.00 C ATOM 1705 CD2 LEU A 107 7.017 -2.685 8.589 1.00 0.00 C ATOM 0 H LEU A 107 9.558 0.300 5.651 1.00 0.00 H new ATOM 0 HA LEU A 107 6.721 0.041 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.367 -1.652 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.489 -0.641 7.764 1.00 0.00 H new ATOM 0 HG LEU A 107 5.992 -0.888 8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.872 -2.756 6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.394 -1.488 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.325 -2.999 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.131 -3.168 9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.649 -3.433 8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.573 -2.201 9.392 1.00 0.00 H new ATOM 1717 N GLN A 108 7.955 2.337 7.360 1.00 0.00 N ATOM 1718 CA GLN A 108 7.616 3.526 8.136 1.00 0.00 C ATOM 1719 C GLN A 108 6.696 4.430 7.317 1.00 0.00 C ATOM 1720 O GLN A 108 5.689 4.923 7.822 1.00 0.00 O ATOM 1721 CB GLN A 108 8.887 4.286 8.558 1.00 0.00 C ATOM 1722 CG GLN A 108 8.635 5.503 9.453 1.00 0.00 C ATOM 1723 CD GLN A 108 8.056 5.148 10.818 1.00 0.00 C ATOM 1724 OE1 GLN A 108 7.323 4.172 10.971 1.00 0.00 O ATOM 1725 NE2 GLN A 108 8.391 5.940 11.825 1.00 0.00 N ATOM 0 H GLN A 108 8.946 2.252 7.133 1.00 0.00 H new ATOM 0 HA GLN A 108 7.096 3.217 9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.549 3.597 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.413 4.614 7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.573 6.040 9.594 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.952 6.183 8.944 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.001 6.741 11.663 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.039 5.749 12.763 1.00 0.00 H new ATOM 1734 N ILE A 109 7.048 4.630 6.042 1.00 0.00 N ATOM 1735 CA ILE A 109 6.192 5.368 5.114 1.00 0.00 C ATOM 1736 C ILE A 109 4.821 4.701 5.020 1.00 0.00 C ATOM 1737 O ILE A 109 3.785 5.367 5.115 1.00 0.00 O ATOM 1738 CB ILE A 109 6.827 5.472 3.693 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.909 6.565 3.656 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.765 5.736 2.625 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.393 7.947 4.011 1.00 0.00 C ATOM 0 H ILE A 109 7.918 4.291 5.632 1.00 0.00 H new ATOM 0 HA ILE A 109 6.082 6.380 5.505 1.00 0.00 H new ATOM 0 HB ILE A 109 7.295 4.513 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.708 6.297 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.348 6.596 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.241 5.803 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.042 4.920 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.254 6.673 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.212 8.665 3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.615 8.237 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.981 7.933 5.020 1.00 0.00 H new ATOM 1753 N PHE A 110 4.831 3.380 4.854 1.00 0.00 N ATOM 1754 CA PHE A 110 3.601 2.599 4.765 1.00 0.00 C ATOM 1755 C PHE A 110 2.708 2.862 5.978 1.00 0.00 C ATOM 1756 O PHE A 110 1.584 3.345 5.837 1.00 0.00 O ATOM 1757 CB PHE A 110 3.924 1.098 4.658 1.00 0.00 C ATOM 1758 CG PHE A 110 2.698 0.219 4.565 1.00 0.00 C ATOM 1759 CD1 PHE A 110 2.092 -0.021 3.341 1.00 0.00 C ATOM 1760 CD2 PHE A 110 2.143 -0.354 5.704 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.960 -0.809 3.254 1.00 0.00 C ATOM 1762 CE2 PHE A 110 1.013 -1.144 5.619 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.420 -1.370 4.393 1.00 0.00 C ATOM 0 H PHE A 110 5.684 2.826 4.778 1.00 0.00 H new ATOM 0 HA PHE A 110 3.065 2.906 3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.548 0.931 3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.510 0.798 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.510 0.413 2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.601 -0.179 6.666 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.498 -0.986 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.594 -1.585 6.511 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.465 -1.985 4.326 1.00 0.00 H new ATOM 1773 N ASN A 111 3.235 2.568 7.164 1.00 0.00 N ATOM 1774 CA ASN A 111 2.480 2.698 8.413 1.00 0.00 C ATOM 1775 C ASN A 111 2.093 4.152 8.679 1.00 0.00 C ATOM 1776 O ASN A 111 1.081 4.423 9.329 1.00 0.00 O ATOM 1777 CB ASN A 111 3.289 2.141 9.598 1.00 0.00 C ATOM 1778 CG ASN A 111 3.468 0.629 9.541 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.613 -0.097 9.027 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.580 0.142 10.078 1.00 0.00 N ATOM 0 H ASN A 111 4.191 2.235 7.289 1.00 0.00 H new ATOM 0 HA ASN A 111 1.565 2.116 8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.270 2.617 9.616 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.788 2.407 10.529 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.750 -0.864 10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.264 0.774 10.494 1.00 0.00 H new ATOM 1787 N LEU A 112 2.898 5.082 8.174 1.00 0.00 N ATOM 1788 CA LEU A 112 2.622 6.509 8.331 1.00 0.00 C ATOM 1789 C LEU A 112 1.327 6.885 7.611 1.00 0.00 C ATOM 1790 O LEU A 112 0.327 7.236 8.244 1.00 0.00 O ATOM 1791 CB LEU A 112 3.792 7.343 7.790 1.00 0.00 C ATOM 1792 CG LEU A 112 3.625 8.870 7.894 1.00 0.00 C ATOM 1793 CD1 LEU A 112 3.515 9.313 9.353 1.00 0.00 C ATOM 1794 CD2 LEU A 112 4.782 9.581 7.197 1.00 0.00 C ATOM 0 H LEU A 112 3.749 4.874 7.651 1.00 0.00 H new ATOM 0 HA LEU A 112 2.504 6.722 9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.697 7.057 8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.946 7.083 6.743 1.00 0.00 H new ATOM 0 HG LEU A 112 2.698 9.146 7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.398 10.396 9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.650 8.836 9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.418 9.024 9.890 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.649 10.660 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.722 9.294 7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.802 9.297 6.145 1.00 0.00 H new ATOM 1806 N MET A 113 1.339 6.779 6.284 1.00 0.00 N ATOM 1807 CA MET A 113 0.178 7.146 5.475 1.00 0.00 C ATOM 1808 C MET A 113 -0.982 6.173 5.709 1.00 0.00 C ATOM 1809 O MET A 113 -2.136 6.495 5.421 1.00 0.00 O ATOM 1810 CB MET A 113 0.552 7.212 3.983 1.00 0.00 C ATOM 1811 CG MET A 113 1.152 5.927 3.427 1.00 0.00 C ATOM 1812 SD MET A 113 1.649 6.088 1.699 1.00 0.00 S ATOM 1813 CE MET A 113 2.380 4.479 1.393 1.00 0.00 C ATOM 0 H MET A 113 2.138 6.443 5.747 1.00 0.00 H new ATOM 0 HA MET A 113 -0.151 8.138 5.784 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.340 7.461 3.408 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.263 8.025 3.835 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.018 5.645 4.026 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.425 5.121 3.519 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.461 4.583 1.297 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.152 3.812 2.224 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.972 4.063 0.472 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.661 4.999 6.257 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.663 3.990 6.618 1.00 0.00 C ATOM 1825 C LYS A 114 -2.694 4.572 7.587 1.00 0.00 C ATOM 1826 O LYS A 114 -3.848 4.148 7.615 1.00 0.00 O ATOM 1827 CB LYS A 114 -0.963 2.777 7.254 1.00 0.00 C ATOM 1828 CG LYS A 114 -1.887 1.623 7.634 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.084 0.416 8.119 1.00 0.00 C ATOM 1830 CE LYS A 114 -1.973 -0.771 8.471 1.00 0.00 C ATOM 1831 NZ LYS A 114 -2.812 -0.512 9.671 1.00 0.00 N ATOM 0 H LYS A 114 0.298 4.720 6.463 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.186 3.675 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.210 2.406 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.435 3.109 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.574 1.945 8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.493 1.339 6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.376 0.119 7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.499 0.700 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.617 -1.003 7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.351 -1.648 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.756 -1.326 10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.468 0.340 10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.800 -0.368 9.379 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.266 5.555 8.376 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.137 6.202 9.357 1.00 0.00 C ATOM 1847 C PHE A 115 -3.219 7.702 9.096 1.00 0.00 C ATOM 1848 O PHE A 115 -3.386 8.497 10.025 1.00 0.00 O ATOM 1849 CB PHE A 115 -2.615 5.938 10.776 1.00 0.00 C ATOM 1850 CG PHE A 115 -2.644 4.483 11.165 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -3.839 3.876 11.530 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -1.485 3.723 11.166 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -3.872 2.544 11.889 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -1.515 2.390 11.525 1.00 0.00 C ATOM 1855 CZ PHE A 115 -2.710 1.799 11.886 1.00 0.00 C ATOM 0 H PHE A 115 -1.315 5.923 8.355 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.139 5.782 9.263 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.592 6.306 10.853 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.213 6.508 11.487 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.752 4.453 11.533 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.548 4.179 10.883 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.807 2.084 12.172 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -0.604 1.810 11.524 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.735 0.756 12.165 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.127 8.086 7.824 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.171 9.499 7.445 1.00 0.00 C ATOM 1867 C ASP A 116 -3.852 9.671 6.084 1.00 0.00 C ATOM 1868 O ASP A 116 -5.066 9.876 6.013 1.00 0.00 O ATOM 1869 CB ASP A 116 -1.750 10.091 7.424 1.00 0.00 C ATOM 1870 CG ASP A 116 -1.732 11.594 7.170 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -1.821 12.008 5.995 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -1.622 12.370 8.148 1.00 0.00 O ATOM 0 H ASP A 116 -3.022 7.442 7.040 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.758 10.040 8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.262 9.884 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.166 9.591 6.651 1.00 0.00 H new ATOM 1877 N SER A 117 -3.076 9.556 5.009 1.00 0.00 N ATOM 1878 CA SER A 117 -3.592 9.697 3.653 1.00 0.00 C ATOM 1879 C SER A 117 -4.638 8.617 3.363 1.00 0.00 C ATOM 1880 O SER A 117 -5.599 8.854 2.635 1.00 0.00 O ATOM 1881 CB SER A 117 -2.436 9.626 2.645 1.00 0.00 C ATOM 1882 OG SER A 117 -2.871 9.939 1.334 1.00 0.00 O ATOM 0 H SER A 117 -2.075 9.363 5.055 1.00 0.00 H new ATOM 0 HA SER A 117 -4.077 10.668 3.556 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.649 10.318 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.002 8.626 2.657 1.00 0.00 H new ATOM 0 HG SER A 117 -3.041 9.110 0.839 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.451 7.439 3.957 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.419 6.348 3.837 1.00 0.00 C ATOM 1890 C TYR A 118 -6.775 6.777 4.395 1.00 0.00 C ATOM 1891 O TYR A 118 -7.808 6.624 3.736 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.902 5.107 4.576 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.886 3.947 4.638 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.411 3.385 3.478 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.270 3.402 5.860 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.286 2.317 3.536 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.147 2.338 5.924 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.651 1.798 4.761 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.511 0.726 4.821 1.00 0.00 O ATOM 0 H TYR A 118 -3.636 7.215 4.528 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.545 6.101 2.783 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.989 4.765 4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.633 5.392 5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.130 3.790 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.875 3.819 6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.682 1.891 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.437 1.931 6.881 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.602 0.330 3.929 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.756 7.331 5.609 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.973 7.822 6.256 1.00 0.00 C ATOM 1911 C ALA A 119 -8.595 8.945 5.431 1.00 0.00 C ATOM 1912 O ALA A 119 -9.817 9.090 5.370 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.666 8.299 7.675 1.00 0.00 C ATOM 0 H ALA A 119 -5.909 7.451 6.164 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.691 7.004 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.581 8.661 8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.263 7.471 8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.934 9.106 7.637 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.731 9.730 4.794 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.161 10.805 3.906 1.00 0.00 C ATOM 1921 C ARG A 120 -8.889 10.237 2.684 1.00 0.00 C ATOM 1922 O ARG A 120 -10.013 10.639 2.376 1.00 0.00 O ATOM 1923 CB ARG A 120 -6.946 11.652 3.463 1.00 0.00 C ATOM 1924 CG ARG A 120 -6.755 12.954 4.242 1.00 0.00 C ATOM 1925 CD ARG A 120 -6.355 12.709 5.692 1.00 0.00 C ATOM 1926 NE ARG A 120 -6.133 13.964 6.419 1.00 0.00 N ATOM 1927 CZ ARG A 120 -4.937 14.390 6.836 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -3.837 13.712 6.535 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -4.837 15.508 7.536 1.00 0.00 N ATOM 0 H ARG A 120 -6.718 9.640 4.878 1.00 0.00 H new ATOM 0 HA ARG A 120 -8.854 11.446 4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.044 11.049 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.053 11.890 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.990 13.558 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.680 13.530 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.135 12.134 6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.447 12.107 5.721 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.944 14.549 6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -3.900 12.858 5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -2.928 14.045 6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.674 16.047 7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -3.923 15.831 7.853 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.250 9.280 2.018 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.748 8.738 0.755 1.00 0.00 C ATOM 1945 C PHE A 121 -10.141 8.124 0.903 1.00 0.00 C ATOM 1946 O PHE A 121 -11.078 8.523 0.214 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.774 7.686 0.208 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.250 7.036 -1.069 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.306 7.762 -2.249 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.650 5.706 -1.087 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.750 7.180 -3.419 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -9.093 5.118 -2.257 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.143 5.855 -3.424 1.00 0.00 C ATOM 0 H PHE A 121 -7.377 8.859 2.335 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.823 9.569 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.806 8.155 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.620 6.916 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.998 8.797 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.615 5.125 -0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.790 7.759 -4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.400 4.083 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.489 5.397 -4.339 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.269 7.164 1.816 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.514 6.405 1.977 1.00 0.00 C ATOM 1965 C VAL A 122 -12.692 7.306 2.372 1.00 0.00 C ATOM 1966 O VAL A 122 -13.851 6.898 2.289 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.358 5.273 3.025 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.300 4.265 2.576 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.017 5.848 4.402 1.00 0.00 C ATOM 0 H VAL A 122 -9.526 6.890 2.459 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.729 5.963 1.004 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.311 4.751 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.206 3.479 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.597 3.825 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.342 4.771 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.913 5.035 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.080 6.402 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.815 6.517 4.725 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.391 8.529 2.801 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.425 9.484 3.190 1.00 0.00 C ATOM 1981 C LYS A 123 -13.711 10.464 2.047 1.00 0.00 C ATOM 1982 O LYS A 123 -14.823 10.984 1.924 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.985 10.239 4.454 1.00 0.00 C ATOM 1984 CG LYS A 123 -14.048 11.175 5.029 1.00 0.00 C ATOM 1985 CD LYS A 123 -13.602 11.812 6.344 1.00 0.00 C ATOM 1986 CE LYS A 123 -13.335 10.767 7.427 1.00 0.00 C ATOM 1987 NZ LYS A 123 -14.550 9.967 7.745 1.00 0.00 N ATOM 0 H LYS A 123 -11.438 8.882 2.888 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.345 8.941 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.705 9.513 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -12.092 10.820 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.271 11.958 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.971 10.619 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.698 12.397 6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -14.370 12.504 6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -12.538 10.100 7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -12.982 11.264 8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -14.369 9.379 8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -15.347 10.607 7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -14.784 9.355 6.937 1.00 0.00 H new ATOM 2001 N SER A 124 -12.709 10.682 1.198 1.00 0.00 N ATOM 2002 CA SER A 124 -12.794 11.663 0.113 1.00 0.00 C ATOM 2003 C SER A 124 -13.518 11.093 -1.118 1.00 0.00 C ATOM 2004 O SER A 124 -13.812 9.893 -1.179 1.00 0.00 O ATOM 2005 CB SER A 124 -11.376 12.125 -0.258 1.00 0.00 C ATOM 2006 OG SER A 124 -10.767 12.800 0.832 1.00 0.00 O ATOM 0 H SER A 124 -11.818 10.187 1.240 1.00 0.00 H new ATOM 0 HA SER A 124 -13.381 12.514 0.460 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.771 11.265 -0.543 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.418 12.786 -1.124 1.00 0.00 H new ATOM 0 HG SER A 124 -10.442 12.143 1.483 1.00 0.00 H new ATOM 2012 N PRO A 125 -13.864 11.968 -2.096 1.00 0.00 N ATOM 2013 CA PRO A 125 -14.429 11.545 -3.390 1.00 0.00 C ATOM 2014 C PRO A 125 -13.501 10.598 -4.156 1.00 0.00 C ATOM 2015 O PRO A 125 -12.451 10.202 -3.651 1.00 0.00 O ATOM 2016 CB PRO A 125 -14.607 12.867 -4.158 1.00 0.00 C ATOM 2017 CG PRO A 125 -14.689 13.911 -3.099 1.00 0.00 C ATOM 2018 CD PRO A 125 -13.777 13.442 -2.001 1.00 0.00 C ATOM 0 HA PRO A 125 -15.356 10.986 -3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -13.769 13.050 -4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.509 12.851 -4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.376 14.883 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.711 14.025 -2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.756 13.795 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.103 13.803 -1.025 1.00 0.00 H new ATOM 2026 N LEU A 126 -13.901 10.254 -5.382 1.00 0.00 N ATOM 2027 CA LEU A 126 -13.192 9.286 -6.229 1.00 0.00 C ATOM 2028 C LEU A 126 -13.324 7.868 -5.669 1.00 0.00 C ATOM 2029 O LEU A 126 -13.716 6.952 -6.390 1.00 0.00 O ATOM 2030 CB LEU A 126 -11.714 9.665 -6.432 1.00 0.00 C ATOM 2031 CG LEU A 126 -11.471 10.961 -7.231 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -9.978 11.191 -7.456 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -12.218 10.925 -8.564 1.00 0.00 C ATOM 0 H LEU A 126 -14.735 10.643 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 126 -13.666 9.312 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.244 9.767 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.212 8.843 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.858 11.795 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.833 12.111 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.473 11.273 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.561 10.353 -8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.032 11.850 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.868 10.078 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.287 10.822 -8.379 1.00 0.00 H new ATOM 2045 N TYR A 127 -13.001 7.690 -4.387 1.00 0.00 N ATOM 2046 CA TYR A 127 -13.234 6.421 -3.704 1.00 0.00 C ATOM 2047 C TYR A 127 -14.708 6.040 -3.820 1.00 0.00 C ATOM 2048 O TYR A 127 -15.054 5.015 -4.407 1.00 0.00 O ATOM 2049 CB TYR A 127 -12.825 6.521 -2.223 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.208 5.305 -1.390 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -12.532 4.100 -1.532 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -14.250 5.366 -0.467 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -12.880 2.993 -0.781 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -14.602 4.261 0.286 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.914 3.079 0.125 1.00 0.00 C ATOM 2056 OH TYR A 127 -14.261 1.975 0.872 1.00 0.00 O ATOM 0 H TYR A 127 -12.577 8.410 -3.802 1.00 0.00 H new ATOM 0 HA TYR A 127 -12.625 5.649 -4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -11.746 6.664 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -13.288 7.407 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -11.721 4.027 -2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -14.792 6.291 -0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.343 2.064 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -15.413 4.325 0.997 1.00 0.00 H new ATOM 0 HH TYR A 127 -15.008 2.202 1.464 1.00 0.00 H new ATOM 2066 N ARG A 128 -15.571 6.897 -3.288 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.013 6.656 -3.309 1.00 0.00 C ATOM 2068 C ARG A 128 -17.546 6.623 -4.748 1.00 0.00 C ATOM 2069 O ARG A 128 -18.531 5.943 -5.034 1.00 0.00 O ATOM 2070 CB ARG A 128 -17.740 7.715 -2.463 1.00 0.00 C ATOM 2071 CG ARG A 128 -17.457 9.153 -2.883 1.00 0.00 C ATOM 2072 CD ARG A 128 -18.042 10.161 -1.898 1.00 0.00 C ATOM 2073 NE ARG A 128 -17.391 10.090 -0.582 1.00 0.00 N ATOM 2074 CZ ARG A 128 -18.047 10.080 0.584 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -19.376 10.119 0.609 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -17.370 10.039 1.724 1.00 0.00 N ATOM 0 H ARG A 128 -15.298 7.769 -2.835 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.209 5.678 -2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.814 7.536 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.452 7.590 -1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.380 9.303 -2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -17.874 9.330 -3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -17.933 11.167 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -19.110 9.978 -1.784 1.00 0.00 H new ATOM 0 HE ARG A 128 -16.372 10.045 -0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -19.902 10.157 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -19.870 10.111 1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -16.350 10.015 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -17.869 10.031 2.614 1.00 0.00 H new ATOM 2090 N GLU A 129 -16.877 7.343 -5.651 1.00 0.00 N ATOM 2091 CA GLU A 129 -17.220 7.303 -7.076 1.00 0.00 C ATOM 2092 C GLU A 129 -16.805 5.968 -7.693 1.00 0.00 C ATOM 2093 O GLU A 129 -17.402 5.518 -8.674 1.00 0.00 O ATOM 2094 CB GLU A 129 -16.560 8.468 -7.837 1.00 0.00 C ATOM 2095 CG GLU A 129 -17.305 9.795 -7.714 1.00 0.00 C ATOM 2096 CD GLU A 129 -17.574 10.191 -6.273 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -16.623 10.598 -5.581 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -18.736 10.083 -5.829 1.00 0.00 O ATOM 0 H GLU A 129 -16.097 7.959 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.302 7.407 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -15.543 8.599 -7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.484 8.202 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -16.723 10.579 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.252 9.725 -8.249 1.00 0.00 H new ATOM 2105 N CYS A 130 -15.781 5.342 -7.120 1.00 0.00 N ATOM 2106 CA CYS A 130 -15.341 4.023 -7.562 1.00 0.00 C ATOM 2107 C CYS A 130 -16.308 2.960 -7.047 1.00 0.00 C ATOM 2108 O CYS A 130 -16.487 1.914 -7.672 1.00 0.00 O ATOM 2109 CB CYS A 130 -13.918 3.730 -7.077 1.00 0.00 C ATOM 2110 SG CYS A 130 -13.259 2.154 -7.661 1.00 0.00 S ATOM 0 H CYS A 130 -15.239 5.728 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 130 -15.334 4.004 -8.652 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -13.259 4.533 -7.407 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -13.907 3.736 -5.987 1.00 0.00 H new ATOM 0 HG CYS A 130 -12.590 1.582 -6.704 1.00 0.00 H new ATOM 2116 N LEU A 131 -16.914 3.231 -5.890 1.00 0.00 N ATOM 2117 CA LEU A 131 -18.004 2.401 -5.381 1.00 0.00 C ATOM 2118 C LEU A 131 -19.243 2.600 -6.249 1.00 0.00 C ATOM 2119 O LEU A 131 -20.108 1.726 -6.316 1.00 0.00 O ATOM 2120 CB LEU A 131 -18.333 2.735 -3.909 1.00 0.00 C ATOM 2121 CG LEU A 131 -17.417 2.092 -2.848 1.00 0.00 C ATOM 2122 CD1 LEU A 131 -15.989 2.615 -2.951 1.00 0.00 C ATOM 2123 CD2 LEU A 131 -17.976 2.329 -1.444 1.00 0.00 C ATOM 0 H LEU A 131 -16.668 4.018 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 131 -17.686 1.359 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -18.294 3.817 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -19.359 2.428 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 131 -17.391 1.019 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -15.372 2.140 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -15.587 2.385 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -15.985 3.695 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -17.317 1.869 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -18.040 3.400 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -18.970 1.887 -1.369 1.00 0.00 H new ATOM 2135 N LEU A 132 -19.304 3.771 -6.898 1.00 0.00 N ATOM 2136 CA LEU A 132 -20.387 4.143 -7.813 1.00 0.00 C ATOM 2137 C LEU A 132 -21.666 4.486 -7.048 1.00 0.00 C ATOM 2138 O LEU A 132 -22.215 5.581 -7.197 1.00 0.00 O ATOM 2139 CB LEU A 132 -20.660 3.024 -8.835 1.00 0.00 C ATOM 2140 CG LEU A 132 -21.734 3.342 -9.889 1.00 0.00 C ATOM 2141 CD1 LEU A 132 -21.273 4.475 -10.805 1.00 0.00 C ATOM 2142 CD2 LEU A 132 -22.091 2.094 -10.695 1.00 0.00 C ATOM 0 H LEU A 132 -18.592 4.495 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 132 -20.064 5.032 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -19.728 2.790 -9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -20.960 2.126 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 132 -22.634 3.673 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -22.047 4.684 -11.543 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -21.087 5.370 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -20.356 4.180 -11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -22.852 2.344 -11.434 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -21.201 1.722 -11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -22.475 1.325 -10.024 1.00 0.00 H new ATOM 2154 N ALA A 133 -22.125 3.539 -6.236 1.00 0.00 N ATOM 2155 CA ALA A 133 -23.348 3.682 -5.462 1.00 0.00 C ATOM 2156 C ALA A 133 -24.559 3.757 -6.390 1.00 0.00 C ATOM 2157 O ALA A 133 -25.153 2.730 -6.708 1.00 0.00 O ATOM 2158 CB ALA A 133 -23.283 4.892 -4.525 1.00 0.00 C ATOM 0 H ALA A 133 -21.654 2.645 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 133 -23.456 2.799 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -24.214 4.967 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -22.450 4.772 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -23.139 5.799 -5.112 1.00 0.00 H new ATOM 2164 N GLU A 134 -24.870 4.967 -6.861 1.00 0.00 N ATOM 2165 CA GLU A 134 -26.038 5.232 -7.712 1.00 0.00 C ATOM 2166 C GLU A 134 -27.284 4.472 -7.240 1.00 0.00 C ATOM 2167 O GLU A 134 -28.110 5.015 -6.503 1.00 0.00 O ATOM 2168 CB GLU A 134 -25.721 4.900 -9.179 1.00 0.00 C ATOM 2169 CG GLU A 134 -24.553 5.699 -9.751 1.00 0.00 C ATOM 2170 CD GLU A 134 -24.765 7.203 -9.657 1.00 0.00 C ATOM 2171 OE1 GLU A 134 -25.414 7.775 -10.556 1.00 0.00 O ATOM 2172 OE2 GLU A 134 -24.296 7.817 -8.677 1.00 0.00 O ATOM 0 H GLU A 134 -24.315 5.799 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 134 -26.263 6.295 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -25.497 3.836 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -26.608 5.086 -9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -23.640 5.431 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -24.406 5.422 -10.795 1.00 0.00 H new ATOM 2179 N ALA A 135 -27.391 3.204 -7.640 1.00 0.00 N ATOM 2180 CA ALA A 135 -28.535 2.358 -7.293 1.00 0.00 C ATOM 2181 C ALA A 135 -28.611 2.140 -5.781 1.00 0.00 C ATOM 2182 O ALA A 135 -29.692 1.929 -5.224 1.00 0.00 O ATOM 2183 CB ALA A 135 -28.441 1.022 -8.022 1.00 0.00 C ATOM 0 H ALA A 135 -26.689 2.735 -8.212 1.00 0.00 H new ATOM 0 HA ALA A 135 -29.447 2.865 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -29.297 0.401 -7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -28.438 1.194 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -27.521 0.514 -7.733 1.00 0.00 H new ATOM 2189 N GLU A 136 -27.452 2.186 -5.129 1.00 0.00 N ATOM 2190 CA GLU A 136 -27.368 2.101 -3.673 1.00 0.00 C ATOM 2191 C GLU A 136 -28.133 3.257 -3.025 1.00 0.00 C ATOM 2192 O GLU A 136 -28.726 3.105 -1.956 1.00 0.00 O ATOM 2193 CB GLU A 136 -25.897 2.110 -3.231 1.00 0.00 C ATOM 2194 CG GLU A 136 -25.117 0.863 -3.647 1.00 0.00 C ATOM 2195 CD GLU A 136 -25.616 -0.401 -2.963 1.00 0.00 C ATOM 2196 OE1 GLU A 136 -25.170 -0.683 -1.829 1.00 0.00 O ATOM 2197 OE2 GLU A 136 -26.460 -1.115 -3.545 1.00 0.00 O ATOM 0 H GLU A 136 -26.548 2.283 -5.592 1.00 0.00 H new ATOM 0 HA GLU A 136 -27.825 1.166 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -25.407 2.989 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -25.854 2.208 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -25.189 0.739 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -24.062 1.005 -3.413 1.00 0.00 H new TER 2204 GLU A 136