USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 CYS SG : rot -127:sc= 0.29 USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -0.0389 USER MOD Set 2.1: A 49 SER OG : rot 20:sc= 0.986 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -5.01! C(o=-4!,f=-22!) USER MOD Set 3.1: A 21 GLN : amide:sc= -1.27 K(o=-3.5,f=-1.8) USER MOD Set 3.2: A 24 GLN : amide:sc= -2.2! C(o=-3.5!,f=-2.9!) USER MOD Set 4.1: A 13 TYR OH : rot 130:sc= 0.0375 USER MOD Set 4.2: A 15 LYS NZ :NH3+ -124:sc= 2.1 (180deg=0.32) USER MOD Single : A 1 THR N :NH3+ -145:sc= 0.431 (180deg=-0.091) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 6 SER OG : rot 48:sc= 0.168 USER MOD Single : A 9 MET CE :methyl -119:sc= -3.51 (180deg=-6!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -28:sc= -0.15! USER MOD Single : A 16 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.018) USER MOD Single : A 17 MET CE :methyl -152:sc= -4.36! (180deg=-7.41!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= -1.02 (180deg=-1.26) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= -0.0468 (180deg=-0.595) USER MOD Single : A 40 SER OG : rot -140:sc= 0.342 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 0.00765 (180deg=-0.00848) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0216 (180deg=-0.527) USER MOD Single : A 54 SER OG : rot 63:sc= 1.04 USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.28! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 92:sc= -4.34! USER MOD Single : A 70 THR OG1 : rot 90:sc= -2.81! USER MOD Single : A 72 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -5.93! C(o=-5.9!,f=-9.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.38 K(o=-2.4,f=-3) USER MOD Single : A 84 SER OG : rot 32:sc= 0.0707 USER MOD Single : A 85 THR OG1 : rot -52:sc= -0.237! USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.415 K(o=-0.41,f=-1.4) USER MOD Single : A 94 GLN : amide:sc= -0.0226 K(o=-0.023,f=-1.4) USER MOD Single : A 95 HIS : no HE2:sc= -0.349 K(o=-0.35,f=-5.2!) USER MOD Single : A 96 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -54:sc= 0.469 USER MOD Single : A 109 SER OG : rot -116:sc= -5.25! USER MOD Single : A 110 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.13) USER MOD Single : A 111 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.5) USER MOD Single : A 112 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.5) USER MOD Single : A 113 LYS NZ :NH3+ 162:sc= -1.4 (180deg=-2.33) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 41:sc= 0.984 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 20.893 -6.987 -9.621 1.00 0.00 N ATOM 2 CA THR A 1 19.938 -5.998 -9.040 1.00 0.00 C ATOM 3 C THR A 1 18.707 -5.861 -9.941 1.00 0.00 C ATOM 4 O THR A 1 18.629 -6.462 -10.995 1.00 0.00 O ATOM 5 CB THR A 1 20.713 -4.679 -8.986 1.00 0.00 C ATOM 6 OG1 THR A 1 21.472 -4.529 -10.179 1.00 0.00 O ATOM 7 CG2 THR A 1 21.653 -4.686 -7.779 1.00 0.00 C ATOM 0 H1 THR A 1 21.360 -7.511 -8.853 1.00 0.00 H new ATOM 0 H2 THR A 1 20.376 -7.653 -10.230 1.00 0.00 H new ATOM 0 H3 THR A 1 21.610 -6.487 -10.185 1.00 0.00 H new ATOM 0 HA THR A 1 19.580 -6.299 -8.055 1.00 0.00 H new ATOM 0 HB THR A 1 20.013 -3.849 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 1 21.968 -3.684 -10.147 1.00 0.00 H new ATOM 0 HG21 THR A 1 22.204 -3.746 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 1 21.071 -4.802 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 1 22.355 -5.515 -7.869 1.00 0.00 H new ATOM 15 N GLU A 2 17.746 -5.074 -9.533 1.00 0.00 N ATOM 16 CA GLU A 2 16.520 -4.899 -10.366 1.00 0.00 C ATOM 17 C GLU A 2 15.796 -3.606 -9.977 1.00 0.00 C ATOM 18 O GLU A 2 15.659 -3.286 -8.812 1.00 0.00 O ATOM 19 CB GLU A 2 15.650 -6.116 -10.052 1.00 0.00 C ATOM 20 CG GLU A 2 14.921 -6.564 -11.320 1.00 0.00 C ATOM 21 CD GLU A 2 14.786 -8.088 -11.320 1.00 0.00 C ATOM 22 OE1 GLU A 2 15.776 -8.751 -11.060 1.00 0.00 O ATOM 23 OE2 GLU A 2 13.693 -8.565 -11.579 1.00 0.00 O ATOM 0 H GLU A 2 17.757 -4.546 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 2 16.750 -4.826 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.267 -6.928 -9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.929 -5.869 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.935 -6.101 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.470 -6.237 -12.203 1.00 0.00 H new ATOM 30 N ALA A 3 15.332 -2.862 -10.946 1.00 0.00 N ATOM 31 CA ALA A 3 14.616 -1.591 -10.638 1.00 0.00 C ATOM 32 C ALA A 3 13.137 -1.712 -11.010 1.00 0.00 C ATOM 33 O ALA A 3 12.611 -2.799 -11.153 1.00 0.00 O ATOM 34 CB ALA A 3 15.301 -0.531 -11.501 1.00 0.00 C ATOM 0 H ALA A 3 15.418 -3.081 -11.939 1.00 0.00 H new ATOM 0 HA ALA A 3 14.656 -1.342 -9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 3 14.830 0.437 -11.331 1.00 0.00 H new ATOM 0 HB2 ALA A 3 16.357 -0.472 -11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 3 15.206 -0.801 -12.553 1.00 0.00 H new ATOM 40 N GLU A 4 12.462 -0.604 -11.162 1.00 0.00 N ATOM 41 CA GLU A 4 11.011 -0.651 -11.520 1.00 0.00 C ATOM 42 C GLU A 4 10.466 0.763 -11.750 1.00 0.00 C ATOM 43 O GLU A 4 9.596 0.973 -12.572 1.00 0.00 O ATOM 44 CB GLU A 4 10.315 -1.306 -10.320 1.00 0.00 C ATOM 45 CG GLU A 4 10.710 -0.587 -9.023 1.00 0.00 C ATOM 46 CD GLU A 4 9.560 0.311 -8.565 1.00 0.00 C ATOM 47 OE1 GLU A 4 8.598 -0.216 -8.032 1.00 0.00 O ATOM 48 OE2 GLU A 4 9.661 1.513 -8.756 1.00 0.00 O ATOM 0 H GLU A 4 12.851 0.333 -11.054 1.00 0.00 H new ATOM 0 HA GLU A 4 10.841 -1.208 -12.441 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.234 -1.267 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.591 -2.359 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.946 -1.316 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.608 0.009 -9.184 1.00 0.00 H new ATOM 55 N ASP A 5 10.967 1.735 -11.032 1.00 0.00 N ATOM 56 CA ASP A 5 10.472 3.135 -11.213 1.00 0.00 C ATOM 57 C ASP A 5 10.594 3.557 -12.681 1.00 0.00 C ATOM 58 O ASP A 5 11.656 3.491 -13.268 1.00 0.00 O ATOM 59 CB ASP A 5 11.376 3.997 -10.328 1.00 0.00 C ATOM 60 CG ASP A 5 12.837 3.823 -10.756 1.00 0.00 C ATOM 61 OD1 ASP A 5 13.338 2.717 -10.641 1.00 0.00 O ATOM 62 OD2 ASP A 5 13.427 4.797 -11.190 1.00 0.00 O ATOM 0 H ASP A 5 11.697 1.621 -10.329 1.00 0.00 H new ATOM 0 HA ASP A 5 9.421 3.237 -10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.086 5.045 -10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.257 3.712 -9.283 1.00 0.00 H new ATOM 67 N SER A 6 9.512 3.985 -13.277 1.00 0.00 N ATOM 68 CA SER A 6 9.565 4.409 -14.707 1.00 0.00 C ATOM 69 C SER A 6 8.353 5.282 -15.049 1.00 0.00 C ATOM 70 O SER A 6 7.676 5.792 -14.178 1.00 0.00 O ATOM 71 CB SER A 6 9.532 3.106 -15.505 1.00 0.00 C ATOM 72 OG SER A 6 10.816 2.866 -16.066 1.00 0.00 O ATOM 0 H SER A 6 8.595 4.059 -12.836 1.00 0.00 H new ATOM 0 HA SER A 6 10.452 5.002 -14.930 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.244 2.277 -14.858 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.783 3.169 -16.295 1.00 0.00 H new ATOM 0 HG SER A 6 11.502 2.984 -15.376 1.00 0.00 H new ATOM 78 N ILE A 7 8.080 5.457 -16.315 1.00 0.00 N ATOM 79 CA ILE A 7 6.917 6.298 -16.727 1.00 0.00 C ATOM 80 C ILE A 7 5.602 5.633 -16.295 1.00 0.00 C ATOM 81 O ILE A 7 4.609 6.292 -16.067 1.00 0.00 O ATOM 82 CB ILE A 7 7.029 6.388 -18.258 1.00 0.00 C ATOM 83 CG1 ILE A 7 6.224 7.591 -18.772 1.00 0.00 C ATOM 84 CG2 ILE A 7 6.512 5.098 -18.909 1.00 0.00 C ATOM 85 CD1 ILE A 7 4.727 7.392 -18.507 1.00 0.00 C ATOM 0 H ILE A 7 8.614 5.052 -17.084 1.00 0.00 H new ATOM 0 HA ILE A 7 6.922 7.285 -16.265 1.00 0.00 H new ATOM 0 HB ILE A 7 8.078 6.518 -18.524 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.568 8.502 -18.281 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.396 7.720 -19.841 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.598 5.178 -19.993 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.103 4.252 -18.559 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.467 4.947 -18.638 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.174 8.255 -18.878 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.383 6.493 -19.019 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.558 7.287 -17.435 1.00 0.00 H new ATOM 97 N GLU A 8 5.596 4.329 -16.188 1.00 0.00 N ATOM 98 CA GLU A 8 4.355 3.595 -15.778 1.00 0.00 C ATOM 99 C GLU A 8 3.652 4.305 -14.615 1.00 0.00 C ATOM 100 O GLU A 8 4.279 4.749 -13.674 1.00 0.00 O ATOM 101 CB GLU A 8 4.843 2.214 -15.340 1.00 0.00 C ATOM 102 CG GLU A 8 5.379 1.452 -16.554 1.00 0.00 C ATOM 103 CD GLU A 8 5.336 -0.051 -16.274 1.00 0.00 C ATOM 104 OE1 GLU A 8 4.304 -0.521 -15.826 1.00 0.00 O ATOM 105 OE2 GLU A 8 6.337 -0.707 -16.512 1.00 0.00 O ATOM 0 H GLU A 8 6.404 3.734 -16.368 1.00 0.00 H new ATOM 0 HA GLU A 8 3.630 3.543 -16.590 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.624 2.315 -14.587 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.027 1.657 -14.880 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.782 1.685 -17.436 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.401 1.763 -16.770 1.00 0.00 H new ATOM 112 N MET A 9 2.351 4.417 -14.683 1.00 0.00 N ATOM 113 CA MET A 9 1.594 5.100 -13.600 1.00 0.00 C ATOM 114 C MET A 9 0.088 4.899 -13.802 1.00 0.00 C ATOM 115 O MET A 9 -0.681 5.840 -13.791 1.00 0.00 O ATOM 116 CB MET A 9 1.964 6.587 -13.708 1.00 0.00 C ATOM 117 CG MET A 9 2.084 7.017 -15.180 1.00 0.00 C ATOM 118 SD MET A 9 0.462 7.523 -15.804 1.00 0.00 S ATOM 119 CE MET A 9 0.042 5.963 -16.620 1.00 0.00 C ATOM 0 H MET A 9 1.779 4.061 -15.449 1.00 0.00 H new ATOM 0 HA MET A 9 1.840 4.701 -12.616 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.207 7.192 -13.209 1.00 0.00 H new ATOM 0 HB3 MET A 9 2.907 6.769 -13.194 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.792 7.840 -15.271 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.474 6.194 -15.779 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.095 6.136 -17.687 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.848 5.245 -16.469 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.881 5.567 -16.196 1.00 0.00 H new ATOM 129 N TYR A 10 -0.335 3.676 -13.988 1.00 0.00 N ATOM 130 CA TYR A 10 -1.791 3.401 -14.198 1.00 0.00 C ATOM 131 C TYR A 10 -2.639 4.079 -13.113 1.00 0.00 C ATOM 132 O TYR A 10 -3.218 5.125 -13.336 1.00 0.00 O ATOM 133 CB TYR A 10 -1.922 1.878 -14.111 1.00 0.00 C ATOM 134 CG TYR A 10 -1.649 1.273 -15.468 1.00 0.00 C ATOM 135 CD1 TYR A 10 -2.585 1.415 -16.499 1.00 0.00 C ATOM 136 CD2 TYR A 10 -0.460 0.570 -15.694 1.00 0.00 C ATOM 137 CE1 TYR A 10 -2.333 0.854 -17.756 1.00 0.00 C ATOM 138 CE2 TYR A 10 -0.206 0.009 -16.952 1.00 0.00 C ATOM 139 CZ TYR A 10 -1.143 0.151 -17.983 1.00 0.00 C ATOM 140 OH TYR A 10 -0.894 -0.402 -19.222 1.00 0.00 O ATOM 0 H TYR A 10 0.266 2.852 -14.004 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.145 3.791 -15.153 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.220 1.483 -13.377 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.922 1.607 -13.774 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.502 1.958 -16.324 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.262 0.460 -14.898 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.056 0.963 -18.551 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.712 -0.533 -17.127 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.024 -0.854 -19.210 1.00 0.00 H new ATOM 150 N GLU A 11 -2.719 3.496 -11.945 1.00 0.00 N ATOM 151 CA GLU A 11 -3.534 4.117 -10.859 1.00 0.00 C ATOM 152 C GLU A 11 -2.943 3.787 -9.487 1.00 0.00 C ATOM 153 O GLU A 11 -2.669 4.664 -8.690 1.00 0.00 O ATOM 154 CB GLU A 11 -4.923 3.488 -10.986 1.00 0.00 C ATOM 155 CG GLU A 11 -5.988 4.520 -10.630 1.00 0.00 C ATOM 156 CD GLU A 11 -7.206 4.338 -11.538 1.00 0.00 C ATOM 157 OE1 GLU A 11 -7.027 4.356 -12.745 1.00 0.00 O ATOM 158 OE2 GLU A 11 -8.295 4.184 -11.012 1.00 0.00 O ATOM 0 H GLU A 11 -2.258 2.621 -11.697 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.559 5.203 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.078 3.127 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.004 2.625 -10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.281 4.409 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.585 5.526 -10.743 1.00 0.00 H new ATOM 165 N TRP A 12 -2.759 2.528 -9.200 1.00 0.00 N ATOM 166 CA TRP A 12 -2.209 2.132 -7.873 1.00 0.00 C ATOM 167 C TRP A 12 -0.919 2.895 -7.562 1.00 0.00 C ATOM 168 O TRP A 12 -0.588 3.119 -6.417 1.00 0.00 O ATOM 169 CB TRP A 12 -1.925 0.633 -7.981 1.00 0.00 C ATOM 170 CG TRP A 12 -1.003 0.371 -9.132 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.394 -0.002 -10.371 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.450 0.456 -9.169 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.273 -0.152 -11.168 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.889 0.120 -10.472 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.423 0.790 -8.209 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.242 0.114 -10.810 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.787 0.785 -8.545 1.00 0.00 C ATOM 178 CH2 TRP A 12 3.195 0.447 -9.844 1.00 0.00 C ATOM 0 H TRP A 12 -2.967 1.753 -9.830 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.908 2.361 -7.069 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.477 0.271 -7.055 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.858 0.086 -8.119 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.415 -0.158 -10.687 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.301 -0.429 -12.149 1.00 0.00 H new ATOM 0 HE3 TRP A 12 1.119 1.052 -7.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.551 -0.146 -11.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.525 1.043 -7.800 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.245 0.444 -10.097 1.00 0.00 H new ATOM 189 N TYR A 13 -0.188 3.292 -8.565 1.00 0.00 N ATOM 190 CA TYR A 13 1.083 4.030 -8.302 1.00 0.00 C ATOM 191 C TYR A 13 0.805 5.518 -8.078 1.00 0.00 C ATOM 192 O TYR A 13 -0.056 6.102 -8.708 1.00 0.00 O ATOM 193 CB TYR A 13 1.935 3.826 -9.554 1.00 0.00 C ATOM 194 CG TYR A 13 3.362 4.219 -9.254 1.00 0.00 C ATOM 195 CD1 TYR A 13 4.006 3.703 -8.122 1.00 0.00 C ATOM 196 CD2 TYR A 13 4.038 5.104 -10.102 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.327 4.070 -7.840 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.359 5.470 -9.820 1.00 0.00 C ATOM 199 CZ TYR A 13 6.003 4.954 -8.688 1.00 0.00 C ATOM 200 OH TYR A 13 7.306 5.314 -8.411 1.00 0.00 O ATOM 0 H TYR A 13 -0.411 3.140 -9.549 1.00 0.00 H new ATOM 0 HA TYR A 13 1.585 3.666 -7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.891 2.784 -9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.545 4.427 -10.376 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.483 3.022 -7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.541 5.504 -10.973 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.824 3.671 -6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.882 6.151 -10.475 1.00 0.00 H new ATOM 0 HH TYR A 13 7.856 5.195 -9.214 1.00 0.00 H new ATOM 210 N SER A 14 1.532 6.134 -7.181 1.00 0.00 N ATOM 211 CA SER A 14 1.315 7.584 -6.909 1.00 0.00 C ATOM 212 C SER A 14 2.587 8.214 -6.336 1.00 0.00 C ATOM 213 O SER A 14 3.219 7.669 -5.452 1.00 0.00 O ATOM 214 CB SER A 14 0.191 7.630 -5.879 1.00 0.00 C ATOM 215 OG SER A 14 -0.895 6.832 -6.332 1.00 0.00 O ATOM 0 H SER A 14 2.266 5.694 -6.626 1.00 0.00 H new ATOM 0 HA SER A 14 1.065 8.138 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.549 7.264 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.137 8.658 -5.727 1.00 0.00 H new ATOM 0 HG SER A 14 -0.899 6.811 -7.312 1.00 0.00 H new ATOM 221 N LYS A 15 2.965 9.355 -6.840 1.00 0.00 N ATOM 222 CA LYS A 15 4.198 10.031 -6.340 1.00 0.00 C ATOM 223 C LYS A 15 3.968 10.645 -4.959 1.00 0.00 C ATOM 224 O LYS A 15 3.328 11.669 -4.820 1.00 0.00 O ATOM 225 CB LYS A 15 4.492 11.129 -7.365 1.00 0.00 C ATOM 226 CG LYS A 15 5.587 10.661 -8.323 1.00 0.00 C ATOM 227 CD LYS A 15 5.104 9.425 -9.081 1.00 0.00 C ATOM 228 CE LYS A 15 6.304 8.705 -9.695 1.00 0.00 C ATOM 229 NZ LYS A 15 6.821 7.834 -8.603 1.00 0.00 N ATOM 0 H LYS A 15 2.471 9.852 -7.581 1.00 0.00 H new ATOM 0 HA LYS A 15 5.025 9.329 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.587 11.371 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.806 12.040 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.836 11.457 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.496 10.429 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.571 8.756 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.401 9.715 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.011 8.117 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.062 9.413 -10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.824 8.049 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.278 8.008 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.723 6.836 -8.879 1.00 0.00 H new ATOM 243 N HIS A 16 4.503 10.029 -3.940 1.00 0.00 N ATOM 244 CA HIS A 16 4.349 10.562 -2.553 1.00 0.00 C ATOM 245 C HIS A 16 2.874 10.708 -2.185 1.00 0.00 C ATOM 246 O HIS A 16 2.429 11.760 -1.767 1.00 0.00 O ATOM 247 CB HIS A 16 5.043 11.928 -2.561 1.00 0.00 C ATOM 248 CG HIS A 16 6.534 11.736 -2.486 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.425 12.771 -2.722 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.305 10.634 -2.204 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.668 12.276 -2.579 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.652 10.979 -2.263 1.00 0.00 N ATOM 0 H HIS A 16 5.047 9.169 -4.009 1.00 0.00 H new ATOM 0 HA HIS A 16 4.786 9.890 -1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.782 12.475 -3.467 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.700 12.527 -1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.924 9.650 -1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.569 12.857 -2.705 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.455 10.371 -2.100 1.00 0.00 H new ATOM 260 N MET A 17 2.117 9.657 -2.323 1.00 0.00 N ATOM 261 CA MET A 17 0.671 9.731 -1.965 1.00 0.00 C ATOM 262 C MET A 17 0.519 9.604 -0.444 1.00 0.00 C ATOM 263 O MET A 17 1.074 8.716 0.175 1.00 0.00 O ATOM 264 CB MET A 17 0.022 8.548 -2.692 1.00 0.00 C ATOM 265 CG MET A 17 -1.418 8.339 -2.200 1.00 0.00 C ATOM 266 SD MET A 17 -2.572 9.098 -3.367 1.00 0.00 S ATOM 267 CE MET A 17 -2.041 10.811 -3.123 1.00 0.00 C ATOM 0 H MET A 17 2.434 8.751 -2.667 1.00 0.00 H new ATOM 0 HA MET A 17 0.205 10.673 -2.254 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.023 8.729 -3.767 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.606 7.644 -2.521 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.630 7.274 -2.104 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.543 8.779 -1.211 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.875 11.483 -3.326 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.708 10.946 -2.094 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.219 11.038 -3.803 1.00 0.00 H new ATOM 277 N THR A 18 -0.213 10.502 0.159 1.00 0.00 N ATOM 278 CA THR A 18 -0.392 10.460 1.641 1.00 0.00 C ATOM 279 C THR A 18 -1.137 9.194 2.074 1.00 0.00 C ATOM 280 O THR A 18 -2.138 8.818 1.498 1.00 0.00 O ATOM 281 CB THR A 18 -1.218 11.704 1.976 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.776 12.796 1.180 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.047 12.048 3.457 1.00 0.00 C ATOM 0 H THR A 18 -0.697 11.266 -0.312 1.00 0.00 H new ATOM 0 HA THR A 18 0.566 10.445 2.160 1.00 0.00 H new ATOM 0 HB THR A 18 -2.270 11.507 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.306 13.592 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.635 12.934 3.695 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.388 11.211 4.067 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.005 12.244 3.666 1.00 0.00 H new ATOM 291 N ARG A 19 -0.652 8.545 3.101 1.00 0.00 N ATOM 292 CA ARG A 19 -1.318 7.307 3.607 1.00 0.00 C ATOM 293 C ARG A 19 -2.796 7.577 3.889 1.00 0.00 C ATOM 294 O ARG A 19 -3.659 6.754 3.644 1.00 0.00 O ATOM 295 CB ARG A 19 -0.592 6.990 4.919 1.00 0.00 C ATOM 296 CG ARG A 19 -0.887 8.091 5.955 1.00 0.00 C ATOM 297 CD ARG A 19 0.049 7.932 7.154 1.00 0.00 C ATOM 298 NE ARG A 19 0.229 9.311 7.686 1.00 0.00 N ATOM 299 CZ ARG A 19 0.296 9.510 8.973 1.00 0.00 C ATOM 300 NH1 ARG A 19 1.079 8.769 9.708 1.00 0.00 N ATOM 301 NH2 ARG A 19 -0.420 10.451 9.527 1.00 0.00 N ATOM 0 H ARG A 19 0.184 8.822 3.615 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.269 6.489 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.916 6.022 5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.482 6.920 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.753 9.074 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.925 8.029 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.382 7.272 7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.002 7.496 6.856 1.00 0.00 H new ATOM 0 HE ARG A 19 0.300 10.100 7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.639 8.034 9.276 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.131 8.925 10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.032 11.031 8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.367 10.606 10.534 1.00 0.00 H new ATOM 315 N SER A 20 -3.077 8.728 4.420 1.00 0.00 N ATOM 316 CA SER A 20 -4.475 9.088 4.755 1.00 0.00 C ATOM 317 C SER A 20 -5.286 9.277 3.473 1.00 0.00 C ATOM 318 O SER A 20 -6.412 8.832 3.372 1.00 0.00 O ATOM 319 CB SER A 20 -4.333 10.383 5.555 1.00 0.00 C ATOM 320 OG SER A 20 -5.212 11.375 5.039 1.00 0.00 O ATOM 0 H SER A 20 -2.386 9.445 4.639 1.00 0.00 H new ATOM 0 HA SER A 20 -5.006 8.324 5.323 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.558 10.197 6.605 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.304 10.738 5.508 1.00 0.00 H new ATOM 0 HG SER A 20 -5.115 12.200 5.559 1.00 0.00 H new ATOM 326 N GLN A 21 -4.715 9.907 2.480 1.00 0.00 N ATOM 327 CA GLN A 21 -5.452 10.088 1.201 1.00 0.00 C ATOM 328 C GLN A 21 -5.772 8.717 0.618 1.00 0.00 C ATOM 329 O GLN A 21 -6.832 8.498 0.064 1.00 0.00 O ATOM 330 CB GLN A 21 -4.497 10.861 0.290 1.00 0.00 C ATOM 331 CG GLN A 21 -4.425 12.318 0.749 1.00 0.00 C ATOM 332 CD GLN A 21 -5.352 13.175 -0.115 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.003 14.276 -0.495 1.00 0.00 O ATOM 334 NE2 GLN A 21 -6.528 12.715 -0.445 1.00 0.00 N ATOM 0 H GLN A 21 -3.775 10.301 2.502 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.394 10.622 1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.505 10.410 0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.841 10.810 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.715 12.394 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.401 12.683 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.822 11.792 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.153 13.279 -1.021 1.00 0.00 H new ATOM 343 N ALA A 22 -4.870 7.783 0.757 1.00 0.00 N ATOM 344 CA ALA A 22 -5.129 6.416 0.234 1.00 0.00 C ATOM 345 C ALA A 22 -6.290 5.800 1.003 1.00 0.00 C ATOM 346 O ALA A 22 -7.202 5.254 0.425 1.00 0.00 O ATOM 347 CB ALA A 22 -3.840 5.629 0.479 1.00 0.00 C ATOM 0 H ALA A 22 -3.965 7.910 1.211 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.393 6.415 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.962 4.609 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.016 6.107 -0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.623 5.610 1.547 1.00 0.00 H new ATOM 353 N GLU A 23 -6.264 5.895 2.304 1.00 0.00 N ATOM 354 CA GLU A 23 -7.375 5.319 3.117 1.00 0.00 C ATOM 355 C GLU A 23 -8.713 5.936 2.713 1.00 0.00 C ATOM 356 O GLU A 23 -9.679 5.234 2.484 1.00 0.00 O ATOM 357 CB GLU A 23 -7.040 5.680 4.565 1.00 0.00 C ATOM 358 CG GLU A 23 -5.935 4.758 5.079 1.00 0.00 C ATOM 359 CD GLU A 23 -5.213 5.425 6.251 1.00 0.00 C ATOM 360 OE1 GLU A 23 -4.332 6.230 5.998 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.555 5.120 7.382 1.00 0.00 O ATOM 0 H GLU A 23 -5.523 6.346 2.840 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.467 4.243 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.718 6.720 4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.928 5.584 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.360 3.806 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.227 4.541 4.279 1.00 0.00 H new ATOM 368 N GLN A 24 -8.790 7.238 2.633 1.00 0.00 N ATOM 369 CA GLN A 24 -10.082 7.868 2.256 1.00 0.00 C ATOM 370 C GLN A 24 -10.435 7.547 0.807 1.00 0.00 C ATOM 371 O GLN A 24 -11.552 7.164 0.521 1.00 0.00 O ATOM 372 CB GLN A 24 -9.906 9.376 2.469 1.00 0.00 C ATOM 373 CG GLN A 24 -8.800 9.926 1.566 1.00 0.00 C ATOM 374 CD GLN A 24 -8.611 11.417 1.852 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.779 12.242 0.975 1.00 0.00 O ATOM 376 NE2 GLN A 24 -8.267 11.802 3.050 1.00 0.00 N ATOM 0 H GLN A 24 -8.021 7.884 2.811 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.903 7.487 2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.844 9.890 2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.662 9.575 3.513 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.868 9.389 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.061 9.775 0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.126 11.111 3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.139 12.794 3.250 1.00 0.00 H new ATOM 385 N LEU A 25 -9.518 7.678 -0.117 1.00 0.00 N ATOM 386 CA LEU A 25 -9.887 7.345 -1.517 1.00 0.00 C ATOM 387 C LEU A 25 -10.094 5.836 -1.631 1.00 0.00 C ATOM 388 O LEU A 25 -10.867 5.370 -2.445 1.00 0.00 O ATOM 389 CB LEU A 25 -8.750 7.848 -2.414 1.00 0.00 C ATOM 390 CG LEU A 25 -7.476 7.037 -2.178 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.501 5.782 -3.054 1.00 0.00 C ATOM 392 CD2 LEU A 25 -6.263 7.897 -2.547 1.00 0.00 C ATOM 0 H LEU A 25 -8.559 7.992 0.033 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.818 7.820 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.046 7.774 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.559 8.902 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.413 6.742 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.593 5.203 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.370 5.176 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.558 6.072 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.349 7.327 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.327 8.185 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.249 8.792 -1.926 1.00 0.00 H new ATOM 404 N LEU A 26 -9.446 5.067 -0.790 1.00 0.00 N ATOM 405 CA LEU A 26 -9.661 3.595 -0.831 1.00 0.00 C ATOM 406 C LEU A 26 -11.084 3.324 -0.350 1.00 0.00 C ATOM 407 O LEU A 26 -11.913 2.818 -1.081 1.00 0.00 O ATOM 408 CB LEU A 26 -8.641 2.989 0.133 1.00 0.00 C ATOM 409 CG LEU A 26 -7.403 2.521 -0.642 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.302 2.108 0.342 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.769 1.320 -1.520 1.00 0.00 C ATOM 0 H LEU A 26 -8.785 5.394 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.538 3.170 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.354 3.726 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.086 2.149 0.666 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.045 3.338 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.424 1.776 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.035 2.960 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.663 1.294 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.888 0.989 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.131 0.507 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.549 1.609 -2.225 1.00 0.00 H new ATOM 423 N LYS A 27 -11.385 3.693 0.874 1.00 0.00 N ATOM 424 CA LYS A 27 -12.770 3.492 1.391 1.00 0.00 C ATOM 425 C LYS A 27 -13.770 4.150 0.435 1.00 0.00 C ATOM 426 O LYS A 27 -14.817 3.608 0.141 1.00 0.00 O ATOM 427 CB LYS A 27 -12.794 4.194 2.751 1.00 0.00 C ATOM 428 CG LYS A 27 -13.525 3.317 3.770 1.00 0.00 C ATOM 429 CD LYS A 27 -14.034 4.188 4.920 1.00 0.00 C ATOM 430 CE LYS A 27 -14.444 3.296 6.095 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.750 2.706 5.694 1.00 0.00 N ATOM 0 H LYS A 27 -10.733 4.122 1.531 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.038 2.439 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.776 4.389 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.292 5.160 2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.359 2.803 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.854 2.548 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.257 4.885 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.884 4.785 4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.701 2.520 6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.538 3.873 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.152 2.177 6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.404 3.466 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.608 2.062 4.890 1.00 0.00 H new ATOM 445 N GLN A 28 -13.445 5.319 -0.050 1.00 0.00 N ATOM 446 CA GLN A 28 -14.364 6.029 -0.990 1.00 0.00 C ATOM 447 C GLN A 28 -14.585 5.205 -2.268 1.00 0.00 C ATOM 448 O GLN A 28 -15.699 5.070 -2.736 1.00 0.00 O ATOM 449 CB GLN A 28 -13.664 7.349 -1.317 1.00 0.00 C ATOM 450 CG GLN A 28 -14.594 8.226 -2.159 1.00 0.00 C ATOM 451 CD GLN A 28 -15.397 9.150 -1.240 1.00 0.00 C ATOM 452 OE1 GLN A 28 -15.980 8.705 -0.271 1.00 0.00 O ATOM 453 NE2 GLN A 28 -15.451 10.426 -1.505 1.00 0.00 N ATOM 0 H GLN A 28 -12.580 5.815 0.165 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.348 6.186 -0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.393 7.867 -0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.738 7.157 -1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.012 8.816 -2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.269 7.601 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.962 10.799 -2.318 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.983 11.051 -0.899 1.00 0.00 H new ATOM 462 N GLU A 29 -13.542 4.645 -2.836 1.00 0.00 N ATOM 463 CA GLU A 29 -13.725 3.832 -4.080 1.00 0.00 C ATOM 464 C GLU A 29 -14.635 2.646 -3.758 1.00 0.00 C ATOM 465 O GLU A 29 -15.487 2.271 -4.541 1.00 0.00 O ATOM 466 CB GLU A 29 -12.321 3.363 -4.494 1.00 0.00 C ATOM 467 CG GLU A 29 -12.143 3.472 -6.016 1.00 0.00 C ATOM 468 CD GLU A 29 -13.337 2.845 -6.750 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.427 3.380 -6.644 1.00 0.00 O ATOM 470 OE2 GLU A 29 -13.134 1.846 -7.417 1.00 0.00 O ATOM 0 H GLU A 29 -12.583 4.715 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.187 4.396 -4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.566 3.967 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.168 2.331 -4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.044 4.519 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.222 2.972 -6.316 1.00 0.00 H new ATOM 477 N GLY A 30 -14.484 2.083 -2.589 1.00 0.00 N ATOM 478 CA GLY A 30 -15.361 0.956 -2.181 1.00 0.00 C ATOM 479 C GLY A 30 -14.885 -0.375 -2.778 1.00 0.00 C ATOM 480 O GLY A 30 -15.613 -1.349 -2.780 1.00 0.00 O ATOM 0 H GLY A 30 -13.786 2.359 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.378 0.882 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.383 1.155 -2.503 1.00 0.00 H new ATOM 484 N LYS A 31 -13.681 -0.438 -3.276 1.00 0.00 N ATOM 485 CA LYS A 31 -13.184 -1.723 -3.858 1.00 0.00 C ATOM 486 C LYS A 31 -12.573 -2.601 -2.765 1.00 0.00 C ATOM 487 O LYS A 31 -11.557 -2.263 -2.190 1.00 0.00 O ATOM 488 CB LYS A 31 -12.105 -1.317 -4.864 1.00 0.00 C ATOM 489 CG LYS A 31 -12.655 -0.262 -5.835 1.00 0.00 C ATOM 490 CD LYS A 31 -14.037 -0.679 -6.360 1.00 0.00 C ATOM 491 CE LYS A 31 -13.927 -1.996 -7.135 1.00 0.00 C ATOM 492 NZ LYS A 31 -15.122 -2.787 -6.726 1.00 0.00 N ATOM 0 H LYS A 31 -13.021 0.339 -3.307 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.987 -2.295 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.237 -0.920 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.768 -2.192 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.727 0.702 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.966 -0.134 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.732 -0.794 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.440 0.101 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.919 -1.821 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.004 -2.521 -6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.451 -3.360 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.870 -3.413 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.881 -2.141 -6.428 1.00 0.00 H new ATOM 506 N GLU A 32 -13.169 -3.728 -2.473 1.00 0.00 N ATOM 507 CA GLU A 32 -12.585 -4.601 -1.413 1.00 0.00 C ATOM 508 C GLU A 32 -11.224 -5.120 -1.859 1.00 0.00 C ATOM 509 O GLU A 32 -11.123 -6.050 -2.637 1.00 0.00 O ATOM 510 CB GLU A 32 -13.551 -5.766 -1.193 1.00 0.00 C ATOM 511 CG GLU A 32 -13.968 -6.375 -2.537 1.00 0.00 C ATOM 512 CD GLU A 32 -15.443 -6.068 -2.804 1.00 0.00 C ATOM 513 OE1 GLU A 32 -16.270 -6.499 -2.018 1.00 0.00 O ATOM 514 OE2 GLU A 32 -15.721 -5.407 -3.791 1.00 0.00 O ATOM 0 H GLU A 32 -14.020 -4.077 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.445 -4.043 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.078 -6.527 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.433 -5.419 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.351 -5.969 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.807 -7.453 -2.525 1.00 0.00 H new ATOM 521 N GLY A 33 -10.179 -4.525 -1.368 1.00 0.00 N ATOM 522 CA GLY A 33 -8.819 -4.966 -1.744 1.00 0.00 C ATOM 523 C GLY A 33 -8.132 -3.890 -2.593 1.00 0.00 C ATOM 524 O GLY A 33 -7.165 -4.165 -3.269 1.00 0.00 O ATOM 0 H GLY A 33 -10.213 -3.743 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.231 -5.163 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.873 -5.901 -2.302 1.00 0.00 H new ATOM 528 N GLY A 34 -8.612 -2.665 -2.560 1.00 0.00 N ATOM 529 CA GLY A 34 -7.963 -1.587 -3.368 1.00 0.00 C ATOM 530 C GLY A 34 -6.455 -1.647 -3.153 1.00 0.00 C ATOM 531 O GLY A 34 -5.994 -2.088 -2.120 1.00 0.00 O ATOM 0 H GLY A 34 -9.420 -2.370 -2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.198 -1.715 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.347 -0.611 -3.072 1.00 0.00 H new ATOM 535 N PHE A 35 -5.681 -1.244 -4.125 1.00 0.00 N ATOM 536 CA PHE A 35 -4.201 -1.322 -3.965 1.00 0.00 C ATOM 537 C PHE A 35 -3.498 -0.082 -4.533 1.00 0.00 C ATOM 538 O PHE A 35 -3.644 0.251 -5.693 1.00 0.00 O ATOM 539 CB PHE A 35 -3.816 -2.569 -4.760 1.00 0.00 C ATOM 540 CG PHE A 35 -2.329 -2.807 -4.661 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.446 -2.020 -5.407 1.00 0.00 C ATOM 542 CD2 PHE A 35 -1.837 -3.822 -3.834 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.067 -2.248 -5.326 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.459 -4.050 -3.751 1.00 0.00 C ATOM 545 CZ PHE A 35 0.428 -3.264 -4.498 1.00 0.00 C ATOM 0 H PHE A 35 -6.006 -0.867 -5.015 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.904 -1.369 -2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.357 -3.435 -4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.104 -2.448 -5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.828 -1.237 -6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.521 -4.430 -3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.615 -1.641 -5.902 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.079 -4.832 -3.111 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.492 -3.441 -4.436 1.00 0.00 H new ATOM 555 N ILE A 36 -2.710 0.582 -3.725 1.00 0.00 N ATOM 556 CA ILE A 36 -1.961 1.780 -4.214 1.00 0.00 C ATOM 557 C ILE A 36 -0.520 1.717 -3.695 1.00 0.00 C ATOM 558 O ILE A 36 -0.216 0.963 -2.792 1.00 0.00 O ATOM 559 CB ILE A 36 -2.670 3.011 -3.632 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.192 2.861 -3.765 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.205 4.258 -4.391 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.879 4.184 -3.400 1.00 0.00 C ATOM 0 H ILE A 36 -2.553 0.345 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.937 1.822 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.421 3.105 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.451 2.576 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.547 2.064 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.703 5.138 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.126 4.369 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.454 4.155 -5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.959 4.072 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.632 4.451 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.535 4.970 -4.072 1.00 0.00 H new ATOM 574 N VAL A 37 0.368 2.499 -4.248 1.00 0.00 N ATOM 575 CA VAL A 37 1.781 2.474 -3.770 1.00 0.00 C ATOM 576 C VAL A 37 2.414 3.862 -3.894 1.00 0.00 C ATOM 577 O VAL A 37 2.036 4.654 -4.736 1.00 0.00 O ATOM 578 CB VAL A 37 2.501 1.474 -4.678 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.962 1.350 -4.238 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.824 0.105 -4.574 1.00 0.00 C ATOM 0 H VAL A 37 0.177 3.152 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 37 1.848 2.189 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 37 2.456 1.824 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.477 0.638 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.448 2.323 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.003 1.000 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.338 -0.605 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.869 -0.246 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.782 0.190 -4.884 1.00 0.00 H new ATOM 590 N ARG A 38 3.379 4.161 -3.064 1.00 0.00 N ATOM 591 CA ARG A 38 4.043 5.497 -3.136 1.00 0.00 C ATOM 592 C ARG A 38 5.493 5.401 -2.651 1.00 0.00 C ATOM 593 O ARG A 38 5.849 4.514 -1.900 1.00 0.00 O ATOM 594 CB ARG A 38 3.225 6.413 -2.219 1.00 0.00 C ATOM 595 CG ARG A 38 3.133 5.810 -0.812 1.00 0.00 C ATOM 596 CD ARG A 38 4.203 6.437 0.085 1.00 0.00 C ATOM 597 NE ARG A 38 3.757 7.841 0.291 1.00 0.00 N ATOM 598 CZ ARG A 38 3.962 8.430 1.438 1.00 0.00 C ATOM 599 NH1 ARG A 38 3.328 8.023 2.503 1.00 0.00 N ATOM 600 NH2 ARG A 38 4.803 9.424 1.520 1.00 0.00 N ATOM 0 H ARG A 38 3.736 3.538 -2.339 1.00 0.00 H new ATOM 0 HA ARG A 38 4.077 5.878 -4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.688 7.398 -2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.225 6.551 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.143 5.988 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.270 4.730 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.284 5.905 1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.185 6.400 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 38 3.291 8.344 -0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.672 7.244 2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.488 8.483 3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.300 9.741 0.688 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.963 9.884 2.416 1.00 0.00 H new ATOM 614 N ASP A 39 6.333 6.306 -3.082 1.00 0.00 N ATOM 615 CA ASP A 39 7.766 6.269 -2.655 1.00 0.00 C ATOM 616 C ASP A 39 7.906 6.688 -1.188 1.00 0.00 C ATOM 617 O ASP A 39 7.098 7.428 -0.662 1.00 0.00 O ATOM 618 CB ASP A 39 8.477 7.270 -3.567 1.00 0.00 C ATOM 619 CG ASP A 39 9.969 6.934 -3.627 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.289 5.766 -3.769 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.767 7.852 -3.530 1.00 0.00 O ATOM 0 H ASP A 39 6.089 7.070 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 39 8.188 5.267 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.045 7.237 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.336 8.284 -3.192 1.00 0.00 H new ATOM 626 N SER A 40 8.932 6.219 -0.524 1.00 0.00 N ATOM 627 CA SER A 40 9.134 6.584 0.911 1.00 0.00 C ATOM 628 C SER A 40 10.182 7.697 1.036 1.00 0.00 C ATOM 629 O SER A 40 10.319 8.530 0.161 1.00 0.00 O ATOM 630 CB SER A 40 9.627 5.299 1.577 1.00 0.00 C ATOM 631 OG SER A 40 9.572 5.452 2.989 1.00 0.00 O ATOM 0 H SER A 40 9.640 5.598 -0.915 1.00 0.00 H new ATOM 0 HA SER A 40 8.222 6.960 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.011 4.455 1.267 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.648 5.081 1.263 1.00 0.00 H new ATOM 0 HG SER A 40 10.364 5.041 3.394 1.00 0.00 H new ATOM 637 N SER A 41 10.923 7.721 2.117 1.00 0.00 N ATOM 638 CA SER A 41 11.957 8.785 2.291 1.00 0.00 C ATOM 639 C SER A 41 13.123 8.264 3.136 1.00 0.00 C ATOM 640 O SER A 41 14.267 8.310 2.726 1.00 0.00 O ATOM 641 CB SER A 41 11.237 9.921 3.015 1.00 0.00 C ATOM 642 OG SER A 41 10.491 9.388 4.102 1.00 0.00 O ATOM 0 H SER A 41 10.856 7.051 2.883 1.00 0.00 H new ATOM 0 HA SER A 41 12.378 9.108 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.960 10.652 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.574 10.444 2.326 1.00 0.00 H new ATOM 0 HG SER A 41 10.029 10.115 4.570 1.00 0.00 H new ATOM 648 N LYS A 42 12.845 7.772 4.316 1.00 0.00 N ATOM 649 CA LYS A 42 13.940 7.250 5.190 1.00 0.00 C ATOM 650 C LYS A 42 14.741 6.174 4.451 1.00 0.00 C ATOM 651 O LYS A 42 15.888 6.371 4.102 1.00 0.00 O ATOM 652 CB LYS A 42 13.230 6.652 6.405 1.00 0.00 C ATOM 653 CG LYS A 42 12.783 7.776 7.343 1.00 0.00 C ATOM 654 CD LYS A 42 12.972 7.338 8.798 1.00 0.00 C ATOM 655 CE LYS A 42 11.638 6.843 9.363 1.00 0.00 C ATOM 656 NZ LYS A 42 11.891 6.632 10.816 1.00 0.00 N ATOM 0 H LYS A 42 11.907 7.709 4.713 1.00 0.00 H new ATOM 0 HA LYS A 42 14.646 8.030 5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.367 6.068 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.899 5.970 6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.362 8.679 7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.737 8.022 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.719 6.546 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.344 8.172 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.845 7.574 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.323 5.919 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.021 6.292 11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.645 5.927 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.183 7.530 11.252 1.00 0.00 H new ATOM 670 N ALA A 43 14.139 5.042 4.204 1.00 0.00 N ATOM 671 CA ALA A 43 14.859 3.953 3.478 1.00 0.00 C ATOM 672 C ALA A 43 14.725 4.150 1.971 1.00 0.00 C ATOM 673 O ALA A 43 15.411 3.519 1.190 1.00 0.00 O ATOM 674 CB ALA A 43 14.150 2.660 3.885 1.00 0.00 C ATOM 0 H ALA A 43 13.180 4.823 4.473 1.00 0.00 H new ATOM 0 HA ALA A 43 15.922 3.940 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.625 1.813 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.217 2.533 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.102 2.712 3.591 1.00 0.00 H new ATOM 680 N GLY A 44 13.819 4.989 1.556 1.00 0.00 N ATOM 681 CA GLY A 44 13.609 5.184 0.100 1.00 0.00 C ATOM 682 C GLY A 44 12.892 3.945 -0.425 1.00 0.00 C ATOM 683 O GLY A 44 13.022 3.571 -1.574 1.00 0.00 O ATOM 0 H GLY A 44 13.217 5.546 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.015 6.079 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.562 5.322 -0.411 1.00 0.00 H new ATOM 687 N LYS A 45 12.140 3.297 0.431 1.00 0.00 N ATOM 688 CA LYS A 45 11.412 2.070 0.016 1.00 0.00 C ATOM 689 C LYS A 45 10.030 2.441 -0.527 1.00 0.00 C ATOM 690 O LYS A 45 9.697 3.603 -0.647 1.00 0.00 O ATOM 691 CB LYS A 45 11.284 1.236 1.294 1.00 0.00 C ATOM 692 CG LYS A 45 10.391 1.960 2.313 1.00 0.00 C ATOM 693 CD LYS A 45 11.212 2.335 3.548 1.00 0.00 C ATOM 694 CE LYS A 45 10.270 2.622 4.720 1.00 0.00 C ATOM 695 NZ LYS A 45 10.255 1.363 5.518 1.00 0.00 N ATOM 0 H LYS A 45 12.002 3.571 1.404 1.00 0.00 H new ATOM 0 HA LYS A 45 11.929 1.525 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.861 0.259 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.271 1.062 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.964 2.856 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.558 1.319 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.893 1.524 3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.825 3.211 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.625 3.463 5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.271 2.879 4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.360 1.296 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.343 0.546 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.051 1.367 6.187 1.00 0.00 H new ATOM 709 N TYR A 46 9.220 1.467 -0.843 1.00 0.00 N ATOM 710 CA TYR A 46 7.856 1.780 -1.365 1.00 0.00 C ATOM 711 C TYR A 46 6.795 1.340 -0.350 1.00 0.00 C ATOM 712 O TYR A 46 7.006 0.427 0.428 1.00 0.00 O ATOM 713 CB TYR A 46 7.713 0.977 -2.666 1.00 0.00 C ATOM 714 CG TYR A 46 8.856 1.277 -3.622 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.589 2.468 -3.513 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.179 0.354 -4.626 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.638 2.732 -4.402 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.228 0.619 -5.514 1.00 0.00 C ATOM 719 CZ TYR A 46 10.958 1.808 -5.402 1.00 0.00 C ATOM 720 OH TYR A 46 11.992 2.068 -6.277 1.00 0.00 O ATOM 0 H TYR A 46 9.440 0.474 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 46 7.722 2.848 -1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.695 -0.089 -2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.763 1.218 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.344 3.183 -2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.617 -0.564 -4.715 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.201 3.650 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.474 -0.095 -6.286 1.00 0.00 H new ATOM 0 HH TYR A 46 12.082 1.323 -6.908 1.00 0.00 H new ATOM 730 N THR A 47 5.654 1.976 -0.360 1.00 0.00 N ATOM 731 CA THR A 47 4.572 1.591 0.594 1.00 0.00 C ATOM 732 C THR A 47 3.322 1.199 -0.191 1.00 0.00 C ATOM 733 O THR A 47 2.924 1.883 -1.110 1.00 0.00 O ATOM 734 CB THR A 47 4.309 2.838 1.444 1.00 0.00 C ATOM 735 OG1 THR A 47 5.493 3.189 2.145 1.00 0.00 O ATOM 736 CG2 THR A 47 3.184 2.553 2.448 1.00 0.00 C ATOM 0 H THR A 47 5.424 2.746 -0.988 1.00 0.00 H new ATOM 0 HA THR A 47 4.849 0.741 1.218 1.00 0.00 H new ATOM 0 HB THR A 47 4.011 3.662 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.327 3.988 2.688 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.000 3.442 3.051 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.275 2.285 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.477 1.729 3.098 1.00 0.00 H new ATOM 744 N VAL A 48 2.708 0.100 0.156 1.00 0.00 N ATOM 745 CA VAL A 48 1.490 -0.337 -0.586 1.00 0.00 C ATOM 746 C VAL A 48 0.225 -0.034 0.224 1.00 0.00 C ATOM 747 O VAL A 48 -0.013 -0.613 1.264 1.00 0.00 O ATOM 748 CB VAL A 48 1.666 -1.844 -0.775 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.408 -2.437 -1.414 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.867 -2.104 -1.686 1.00 0.00 C ATOM 0 H VAL A 48 2.996 -0.513 0.919 1.00 0.00 H new ATOM 0 HA VAL A 48 1.378 0.184 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 48 1.832 -2.311 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.539 -3.511 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.450 -2.253 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.238 -1.970 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.995 -3.178 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.698 -1.633 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.766 -1.687 -1.231 1.00 0.00 H new ATOM 760 N SER A 49 -0.590 0.865 -0.258 1.00 0.00 N ATOM 761 CA SER A 49 -1.848 1.210 0.465 1.00 0.00 C ATOM 762 C SER A 49 -3.010 0.389 -0.097 1.00 0.00 C ATOM 763 O SER A 49 -3.449 0.610 -1.209 1.00 0.00 O ATOM 764 CB SER A 49 -2.064 2.694 0.177 1.00 0.00 C ATOM 765 OG SER A 49 -1.204 3.465 1.005 1.00 0.00 O ATOM 0 H SER A 49 -0.438 1.378 -1.126 1.00 0.00 H new ATOM 0 HA SER A 49 -1.789 1.001 1.533 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.862 2.905 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.104 2.964 0.362 1.00 0.00 H new ATOM 0 HG SER A 49 -0.468 2.903 1.325 1.00 0.00 H new ATOM 771 N VAL A 50 -3.514 -0.559 0.651 1.00 0.00 N ATOM 772 CA VAL A 50 -4.647 -1.380 0.126 1.00 0.00 C ATOM 773 C VAL A 50 -5.815 -1.390 1.118 1.00 0.00 C ATOM 774 O VAL A 50 -5.617 -1.374 2.319 1.00 0.00 O ATOM 775 CB VAL A 50 -4.077 -2.792 -0.036 1.00 0.00 C ATOM 776 CG1 VAL A 50 -2.974 -2.784 -1.096 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.497 -3.272 1.298 1.00 0.00 C ATOM 0 H VAL A 50 -3.196 -0.798 1.590 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.034 -0.982 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.875 -3.466 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.570 -3.790 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.387 -2.450 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.178 -2.106 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.093 -4.277 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.702 -2.596 1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.283 -3.285 2.053 1.00 0.00 H new ATOM 787 N PHE A 51 -7.035 -1.413 0.635 1.00 0.00 N ATOM 788 CA PHE A 51 -8.196 -1.424 1.580 1.00 0.00 C ATOM 789 C PHE A 51 -9.284 -2.392 1.105 1.00 0.00 C ATOM 790 O PHE A 51 -9.237 -2.893 0.005 1.00 0.00 O ATOM 791 CB PHE A 51 -8.719 0.020 1.575 1.00 0.00 C ATOM 792 CG PHE A 51 -10.157 0.054 1.099 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.439 -0.045 -0.268 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.203 0.172 2.022 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.764 -0.024 -0.712 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.529 0.190 1.576 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.810 0.093 0.209 1.00 0.00 C ATOM 0 H PHE A 51 -7.275 -1.424 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.906 -1.757 2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.650 0.443 2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.098 0.637 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.632 -0.138 -0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.987 0.249 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.980 -0.098 -1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.336 0.279 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.834 0.108 -0.135 1.00 0.00 H new ATOM 807 N ALA A 52 -10.281 -2.626 1.928 1.00 0.00 N ATOM 808 CA ALA A 52 -11.397 -3.534 1.517 1.00 0.00 C ATOM 809 C ALA A 52 -12.600 -3.390 2.453 1.00 0.00 C ATOM 810 O ALA A 52 -12.488 -2.908 3.557 1.00 0.00 O ATOM 811 CB ALA A 52 -10.844 -4.952 1.598 1.00 0.00 C ATOM 0 H ALA A 52 -10.368 -2.228 2.863 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.742 -3.289 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.619 -5.662 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.992 -5.049 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.525 -5.160 2.619 1.00 0.00 H new ATOM 817 N LYS A 53 -13.754 -3.815 2.011 1.00 0.00 N ATOM 818 CA LYS A 53 -14.975 -3.714 2.865 1.00 0.00 C ATOM 819 C LYS A 53 -15.423 -5.111 3.317 1.00 0.00 C ATOM 820 O LYS A 53 -16.579 -5.467 3.197 1.00 0.00 O ATOM 821 CB LYS A 53 -16.030 -3.087 1.955 1.00 0.00 C ATOM 822 CG LYS A 53 -15.848 -1.568 1.935 1.00 0.00 C ATOM 823 CD LYS A 53 -17.219 -0.893 1.857 1.00 0.00 C ATOM 824 CE LYS A 53 -17.040 0.626 1.778 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.607 1.013 0.457 1.00 0.00 N ATOM 0 H LYS A 53 -13.905 -4.230 1.091 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.805 -3.127 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.940 -3.488 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.029 -3.340 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.320 -1.242 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.237 -1.275 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.763 -1.251 0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.814 -1.154 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.561 1.128 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.989 0.904 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.286 1.971 0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.286 0.341 -0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.646 0.998 0.507 1.00 0.00 H new ATOM 839 N SER A 54 -14.520 -5.905 3.834 1.00 0.00 N ATOM 840 CA SER A 54 -14.903 -7.277 4.288 1.00 0.00 C ATOM 841 C SER A 54 -13.866 -7.830 5.273 1.00 0.00 C ATOM 842 O SER A 54 -13.163 -8.779 4.984 1.00 0.00 O ATOM 843 CB SER A 54 -14.934 -8.119 3.013 1.00 0.00 C ATOM 844 OG SER A 54 -13.607 -8.291 2.531 1.00 0.00 O ATOM 0 H SER A 54 -13.537 -5.664 3.961 1.00 0.00 H new ATOM 0 HA SER A 54 -15.861 -7.283 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.388 -9.089 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.548 -7.631 2.256 1.00 0.00 H new ATOM 0 HG SER A 54 -13.082 -8.792 3.190 1.00 0.00 H new ATOM 850 N THR A 55 -13.769 -7.242 6.436 1.00 0.00 N ATOM 851 CA THR A 55 -12.785 -7.724 7.455 1.00 0.00 C ATOM 852 C THR A 55 -13.125 -7.088 8.805 1.00 0.00 C ATOM 853 O THR A 55 -14.281 -6.855 9.100 1.00 0.00 O ATOM 854 CB THR A 55 -11.408 -7.256 6.964 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.472 -6.881 5.593 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.393 -8.387 7.135 1.00 0.00 C ATOM 0 H THR A 55 -14.332 -6.443 6.728 1.00 0.00 H new ATOM 0 HA THR A 55 -12.803 -8.807 7.578 1.00 0.00 H new ATOM 0 HB THR A 55 -11.100 -6.392 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.588 -6.584 5.294 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.415 -8.054 6.786 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.328 -8.662 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.711 -9.252 6.553 1.00 0.00 H new ATOM 864 N GLY A 56 -12.142 -6.779 9.623 1.00 0.00 N ATOM 865 CA GLY A 56 -12.447 -6.128 10.935 1.00 0.00 C ATOM 866 C GLY A 56 -13.396 -4.957 10.675 1.00 0.00 C ATOM 867 O GLY A 56 -14.243 -4.626 11.482 1.00 0.00 O ATOM 0 H GLY A 56 -11.153 -6.948 9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.904 -6.844 11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.530 -5.777 11.408 1.00 0.00 H new ATOM 871 N ASP A 57 -13.269 -4.355 9.523 1.00 0.00 N ATOM 872 CA ASP A 57 -14.157 -3.229 9.142 1.00 0.00 C ATOM 873 C ASP A 57 -14.955 -3.645 7.897 1.00 0.00 C ATOM 874 O ASP A 57 -14.583 -3.323 6.790 1.00 0.00 O ATOM 875 CB ASP A 57 -13.207 -2.082 8.814 1.00 0.00 C ATOM 876 CG ASP A 57 -13.819 -0.758 9.277 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.962 -0.505 8.933 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.136 -0.021 9.967 1.00 0.00 O ATOM 0 H ASP A 57 -12.573 -4.604 8.820 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.867 -2.948 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.246 -2.241 9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.016 -2.050 7.741 1.00 0.00 H new ATOM 883 N PRO A 58 -16.021 -4.371 8.114 1.00 0.00 N ATOM 884 CA PRO A 58 -16.857 -4.866 6.991 1.00 0.00 C ATOM 885 C PRO A 58 -17.258 -3.750 6.028 1.00 0.00 C ATOM 886 O PRO A 58 -17.624 -4.001 4.896 1.00 0.00 O ATOM 887 CB PRO A 58 -18.075 -5.434 7.715 1.00 0.00 C ATOM 888 CG PRO A 58 -17.871 -5.275 9.233 1.00 0.00 C ATOM 889 CD PRO A 58 -16.466 -4.721 9.482 1.00 0.00 C ATOM 0 HA PRO A 58 -16.337 -5.590 6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.979 -4.912 7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.209 -6.485 7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.622 -4.602 9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.993 -6.235 9.734 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.482 -3.852 10.140 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.813 -5.460 9.946 1.00 0.00 H new ATOM 897 N GLN A 59 -17.215 -2.529 6.466 1.00 0.00 N ATOM 898 CA GLN A 59 -17.619 -1.411 5.564 1.00 0.00 C ATOM 899 C GLN A 59 -16.421 -0.552 5.143 1.00 0.00 C ATOM 900 O GLN A 59 -16.586 0.445 4.467 1.00 0.00 O ATOM 901 CB GLN A 59 -18.616 -0.579 6.377 1.00 0.00 C ATOM 902 CG GLN A 59 -18.047 -0.315 7.773 1.00 0.00 C ATOM 903 CD GLN A 59 -18.552 1.035 8.288 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.732 1.316 8.233 1.00 0.00 O ATOM 905 NE2 GLN A 59 -17.700 1.887 8.790 1.00 0.00 N ATOM 0 H GLN A 59 -16.920 -2.252 7.402 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.051 -1.792 4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.816 0.365 5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.567 -1.106 6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.347 -1.111 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -16.958 -0.318 7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -16.709 1.650 8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.025 2.790 9.136 1.00 0.00 H new ATOM 914 N GLY A 60 -15.219 -0.914 5.515 1.00 0.00 N ATOM 915 CA GLY A 60 -14.058 -0.085 5.094 1.00 0.00 C ATOM 916 C GLY A 60 -12.780 -0.508 5.822 1.00 0.00 C ATOM 917 O GLY A 60 -12.543 -0.132 6.952 1.00 0.00 O ATOM 0 H GLY A 60 -14.997 -1.733 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.914 -0.178 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.265 0.965 5.299 1.00 0.00 H new ATOM 921 N VAL A 61 -11.943 -1.269 5.167 1.00 0.00 N ATOM 922 CA VAL A 61 -10.662 -1.705 5.800 1.00 0.00 C ATOM 923 C VAL A 61 -9.491 -1.165 5.009 1.00 0.00 C ATOM 924 O VAL A 61 -9.528 -1.102 3.806 1.00 0.00 O ATOM 925 CB VAL A 61 -10.659 -3.229 5.734 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.354 -3.765 6.327 1.00 0.00 C ATOM 927 CG2 VAL A 61 -11.843 -3.775 6.516 1.00 0.00 C ATOM 0 H VAL A 61 -12.092 -1.609 4.217 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.578 -1.342 6.824 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.738 -3.548 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.353 -4.854 6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.509 -3.376 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.269 -3.447 7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.840 -4.864 6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.770 -3.457 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.770 -3.396 6.085 1.00 0.00 H new ATOM 937 N ILE A 62 -8.462 -0.757 5.685 1.00 0.00 N ATOM 938 CA ILE A 62 -7.281 -0.189 4.977 1.00 0.00 C ATOM 939 C ILE A 62 -5.981 -0.558 5.696 1.00 0.00 C ATOM 940 O ILE A 62 -5.973 -0.892 6.864 1.00 0.00 O ATOM 941 CB ILE A 62 -7.491 1.327 5.010 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.967 1.625 5.321 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.101 1.918 3.649 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.243 3.119 5.243 1.00 0.00 C ATOM 0 H ILE A 62 -8.383 -0.791 6.701 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.196 -0.576 3.961 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.869 1.777 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.607 1.095 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.216 1.256 6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.248 2.998 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.053 1.698 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.724 1.479 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.293 3.307 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.618 3.643 5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -9.015 3.479 4.240 1.00 0.00 H new ATOM 956 N ARG A 63 -4.880 -0.485 4.996 1.00 0.00 N ATOM 957 CA ARG A 63 -3.563 -0.813 5.615 1.00 0.00 C ATOM 958 C ARG A 63 -2.440 -0.511 4.619 1.00 0.00 C ATOM 959 O ARG A 63 -2.475 -0.945 3.483 1.00 0.00 O ATOM 960 CB ARG A 63 -3.618 -2.311 5.923 1.00 0.00 C ATOM 961 CG ARG A 63 -2.964 -2.582 7.282 1.00 0.00 C ATOM 962 CD ARG A 63 -1.494 -2.156 7.241 1.00 0.00 C ATOM 963 NE ARG A 63 -1.000 -2.334 8.635 1.00 0.00 N ATOM 964 CZ ARG A 63 0.277 -2.239 8.891 1.00 0.00 C ATOM 965 NH1 ARG A 63 0.976 -1.271 8.366 1.00 0.00 N ATOM 966 NH2 ARG A 63 0.851 -3.111 9.672 1.00 0.00 N ATOM 0 H ARG A 63 -4.837 -0.210 4.015 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.370 -0.228 6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.653 -2.653 5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.104 -2.872 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.489 -2.035 8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.039 -3.641 7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.926 -2.767 6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.392 -1.121 6.916 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.659 -2.530 9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.525 -0.589 7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.974 -1.196 8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.303 -3.867 10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.848 -3.037 9.872 1.00 0.00 H new ATOM 980 N HIS A 64 -1.448 0.234 5.031 1.00 0.00 N ATOM 981 CA HIS A 64 -0.331 0.561 4.096 1.00 0.00 C ATOM 982 C HIS A 64 0.848 -0.376 4.336 1.00 0.00 C ATOM 983 O HIS A 64 1.608 -0.205 5.269 1.00 0.00 O ATOM 984 CB HIS A 64 0.081 2.004 4.407 1.00 0.00 C ATOM 985 CG HIS A 64 -1.140 2.869 4.557 1.00 0.00 C ATOM 986 ND1 HIS A 64 -1.820 3.378 3.464 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.818 3.319 5.663 1.00 0.00 C ATOM 988 CE1 HIS A 64 -2.857 4.097 3.928 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.902 4.095 5.264 1.00 0.00 N ATOM 0 H HIS A 64 -1.363 0.628 5.968 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.640 0.447 3.057 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.671 2.033 5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.714 2.390 3.608 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.578 3.234 2.484 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.551 3.103 6.687 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.567 4.613 3.298 1.00 0.00 H new ATOM 997 N TYR A 65 1.023 -1.351 3.489 1.00 0.00 N ATOM 998 CA TYR A 65 2.172 -2.280 3.660 1.00 0.00 C ATOM 999 C TYR A 65 3.422 -1.605 3.121 1.00 0.00 C ATOM 1000 O TYR A 65 3.468 -1.190 1.984 1.00 0.00 O ATOM 1001 CB TYR A 65 1.850 -3.504 2.814 1.00 0.00 C ATOM 1002 CG TYR A 65 0.477 -4.050 3.154 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.012 -3.978 4.466 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.302 -4.645 2.153 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.276 -4.497 4.773 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.563 -5.167 2.462 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.050 -5.093 3.771 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.294 -5.608 4.075 1.00 0.00 O ATOM 0 H TYR A 65 0.422 -1.544 2.688 1.00 0.00 H new ATOM 0 HA TYR A 65 2.336 -2.549 4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.890 -3.241 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.603 -4.274 2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.587 -3.522 5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.071 -4.701 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.653 -4.437 5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.161 -5.627 1.689 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.699 -5.984 3.266 1.00 0.00 H new ATOM 1018 N VAL A 66 4.434 -1.487 3.917 1.00 0.00 N ATOM 1019 CA VAL A 66 5.672 -0.824 3.427 1.00 0.00 C ATOM 1020 C VAL A 66 6.803 -1.833 3.306 1.00 0.00 C ATOM 1021 O VAL A 66 6.735 -2.926 3.832 1.00 0.00 O ATOM 1022 CB VAL A 66 6.023 0.233 4.474 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.226 1.043 3.981 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.830 1.172 4.689 1.00 0.00 C ATOM 0 H VAL A 66 4.464 -1.817 4.882 1.00 0.00 H new ATOM 0 HA VAL A 66 5.523 -0.383 2.441 1.00 0.00 H new ATOM 0 HB VAL A 66 6.265 -0.257 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.483 1.800 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.076 0.377 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.976 1.529 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.088 1.922 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.582 1.666 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.971 0.596 5.034 1.00 0.00 H new ATOM 1034 N VAL A 67 7.848 -1.474 2.620 1.00 0.00 N ATOM 1035 CA VAL A 67 8.986 -2.413 2.471 1.00 0.00 C ATOM 1036 C VAL A 67 10.215 -1.883 3.207 1.00 0.00 C ATOM 1037 O VAL A 67 10.670 -0.784 2.966 1.00 0.00 O ATOM 1038 CB VAL A 67 9.256 -2.481 0.972 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.483 -3.364 0.723 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.035 -3.072 0.256 1.00 0.00 C ATOM 0 H VAL A 67 7.962 -0.572 2.157 1.00 0.00 H new ATOM 0 HA VAL A 67 8.761 -3.393 2.891 1.00 0.00 H new ATOM 0 HB VAL A 67 9.444 -1.479 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.682 -3.417 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.347 -2.938 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.294 -4.366 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.229 -3.120 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.841 -4.075 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.165 -2.441 0.439 1.00 0.00 H new ATOM 1050 N CYS A 68 10.764 -2.668 4.085 1.00 0.00 N ATOM 1051 CA CYS A 68 11.978 -2.229 4.820 1.00 0.00 C ATOM 1052 C CYS A 68 13.211 -2.593 3.996 1.00 0.00 C ATOM 1053 O CYS A 68 13.170 -3.490 3.179 1.00 0.00 O ATOM 1054 CB CYS A 68 11.950 -3.002 6.139 1.00 0.00 C ATOM 1055 SG CYS A 68 13.281 -2.409 7.213 1.00 0.00 S ATOM 0 H CYS A 68 10.423 -3.599 4.327 1.00 0.00 H new ATOM 0 HA CYS A 68 12.007 -1.154 4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.986 -2.870 6.630 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.068 -4.069 5.950 1.00 0.00 H new ATOM 0 HG CYS A 68 14.000 -3.417 7.609 1.00 0.00 H new ATOM 1061 N SER A 69 14.300 -1.901 4.185 1.00 0.00 N ATOM 1062 CA SER A 69 15.519 -2.215 3.385 1.00 0.00 C ATOM 1063 C SER A 69 16.759 -2.305 4.275 1.00 0.00 C ATOM 1064 O SER A 69 17.015 -1.449 5.098 1.00 0.00 O ATOM 1065 CB SER A 69 15.655 -1.053 2.402 1.00 0.00 C ATOM 1066 OG SER A 69 15.219 0.148 3.024 1.00 0.00 O ATOM 0 H SER A 69 14.400 -1.137 4.853 1.00 0.00 H new ATOM 0 HA SER A 69 15.432 -3.179 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.692 -0.953 2.082 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.063 -1.248 1.508 1.00 0.00 H new ATOM 0 HG SER A 69 15.983 0.595 3.444 1.00 0.00 H new ATOM 1072 N THR A 70 17.543 -3.331 4.089 1.00 0.00 N ATOM 1073 CA THR A 70 18.789 -3.489 4.892 1.00 0.00 C ATOM 1074 C THR A 70 19.986 -3.055 4.032 1.00 0.00 C ATOM 1075 O THR A 70 19.890 -3.047 2.821 1.00 0.00 O ATOM 1076 CB THR A 70 18.859 -4.984 5.226 1.00 0.00 C ATOM 1077 OG1 THR A 70 20.018 -5.250 6.001 1.00 0.00 O ATOM 1078 CG2 THR A 70 18.914 -5.799 3.935 1.00 0.00 C ATOM 0 H THR A 70 17.373 -4.073 3.410 1.00 0.00 H new ATOM 0 HA THR A 70 18.800 -2.885 5.799 1.00 0.00 H new ATOM 0 HB THR A 70 17.972 -5.263 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.803 -5.159 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.964 -6.861 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.020 -5.603 3.343 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.798 -5.515 3.363 1.00 0.00 H new ATOM 1086 N PRO A 71 21.075 -2.691 4.666 1.00 0.00 N ATOM 1087 CA PRO A 71 22.271 -2.240 3.914 1.00 0.00 C ATOM 1088 C PRO A 71 22.899 -3.361 3.079 1.00 0.00 C ATOM 1089 O PRO A 71 23.943 -3.174 2.481 1.00 0.00 O ATOM 1090 CB PRO A 71 23.218 -1.783 5.027 1.00 0.00 C ATOM 1091 CG PRO A 71 22.523 -1.998 6.387 1.00 0.00 C ATOM 1092 CD PRO A 71 21.175 -2.690 6.146 1.00 0.00 C ATOM 0 HA PRO A 71 22.037 -1.462 3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.150 -2.347 4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.475 -0.732 4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.149 -2.607 7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.373 -1.043 6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.159 -3.700 6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.351 -2.146 6.608 1.00 0.00 H new ATOM 1100 N GLN A 72 22.284 -4.510 3.000 1.00 0.00 N ATOM 1101 CA GLN A 72 22.870 -5.596 2.170 1.00 0.00 C ATOM 1102 C GLN A 72 22.187 -5.597 0.795 1.00 0.00 C ATOM 1103 O GLN A 72 22.143 -6.596 0.110 1.00 0.00 O ATOM 1104 CB GLN A 72 22.577 -6.883 2.952 1.00 0.00 C ATOM 1105 CG GLN A 72 23.115 -8.104 2.195 1.00 0.00 C ATOM 1106 CD GLN A 72 24.612 -7.928 1.921 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.421 -8.016 2.824 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.015 -7.682 0.705 1.00 0.00 N ATOM 0 H GLN A 72 21.409 -4.741 3.471 1.00 0.00 H new ATOM 0 HA GLN A 72 23.939 -5.483 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.036 -6.828 3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.503 -6.986 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.947 -9.009 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.576 -8.227 1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.336 -7.608 -0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.009 -7.563 0.511 1.00 0.00 H new ATOM 1117 N SER A 73 21.646 -4.467 0.393 1.00 0.00 N ATOM 1118 CA SER A 73 20.949 -4.385 -0.927 1.00 0.00 C ATOM 1119 C SER A 73 19.754 -5.336 -0.920 1.00 0.00 C ATOM 1120 O SER A 73 19.555 -6.111 -1.835 1.00 0.00 O ATOM 1121 CB SER A 73 21.983 -4.819 -1.969 1.00 0.00 C ATOM 1122 OG SER A 73 21.703 -4.174 -3.204 1.00 0.00 O ATOM 0 H SER A 73 21.659 -3.598 0.927 1.00 0.00 H new ATOM 0 HA SER A 73 20.575 -3.384 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.987 -4.563 -1.631 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.956 -5.901 -2.096 1.00 0.00 H new ATOM 0 HG SER A 73 22.364 -4.448 -3.874 1.00 0.00 H new ATOM 1128 N GLN A 74 18.974 -5.298 0.128 1.00 0.00 N ATOM 1129 CA GLN A 74 17.804 -6.218 0.228 1.00 0.00 C ATOM 1130 C GLN A 74 16.578 -5.469 0.767 1.00 0.00 C ATOM 1131 O GLN A 74 16.685 -4.365 1.264 1.00 0.00 O ATOM 1132 CB GLN A 74 18.242 -7.312 1.207 1.00 0.00 C ATOM 1133 CG GLN A 74 19.771 -7.363 1.286 1.00 0.00 C ATOM 1134 CD GLN A 74 20.208 -8.677 1.934 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.209 -8.802 3.143 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.582 -9.672 1.175 1.00 0.00 N ATOM 0 H GLN A 74 19.097 -4.668 0.921 1.00 0.00 H new ATOM 0 HA GLN A 74 17.519 -6.628 -0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.825 -7.116 2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.854 -8.278 0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.200 -7.278 0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.144 -6.518 1.866 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.581 -9.568 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 74 20.875 -10.553 1.597 1.00 0.00 H new ATOM 1145 N TYR A 75 15.410 -6.054 0.652 1.00 0.00 N ATOM 1146 CA TYR A 75 14.171 -5.359 1.143 1.00 0.00 C ATOM 1147 C TYR A 75 13.163 -6.361 1.718 1.00 0.00 C ATOM 1148 O TYR A 75 13.212 -7.531 1.422 1.00 0.00 O ATOM 1149 CB TYR A 75 13.566 -4.686 -0.091 1.00 0.00 C ATOM 1150 CG TYR A 75 14.615 -3.868 -0.800 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.531 -4.494 -1.650 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.672 -2.487 -0.602 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.507 -3.740 -2.302 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.649 -1.730 -1.255 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.569 -2.356 -2.105 1.00 0.00 C ATOM 1156 OH TYR A 75 17.534 -1.609 -2.750 1.00 0.00 O ATOM 0 H TYR A 75 15.258 -6.976 0.243 1.00 0.00 H new ATOM 0 HA TYR A 75 14.410 -4.651 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.164 -5.441 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.734 -4.047 0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.483 -5.562 -1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.963 -2.005 0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.215 -4.224 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.694 -0.662 -1.104 1.00 0.00 H new ATOM 0 HH TYR A 75 17.436 -0.665 -2.504 1.00 0.00 H new ATOM 1166 N TYR A 76 12.234 -5.895 2.520 1.00 0.00 N ATOM 1167 CA TYR A 76 11.199 -6.809 3.113 1.00 0.00 C ATOM 1168 C TYR A 76 10.250 -6.033 4.031 1.00 0.00 C ATOM 1169 O TYR A 76 10.584 -4.985 4.539 1.00 0.00 O ATOM 1170 CB TYR A 76 11.974 -7.842 3.954 1.00 0.00 C ATOM 1171 CG TYR A 76 12.774 -7.141 5.032 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.146 -6.748 6.219 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.143 -6.903 4.858 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.879 -6.120 7.229 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.878 -6.272 5.868 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.247 -5.881 7.054 1.00 0.00 C ATOM 1177 OH TYR A 76 14.972 -5.261 8.050 1.00 0.00 O ATOM 0 H TYR A 76 12.146 -4.916 2.792 1.00 0.00 H new ATOM 0 HA TYR A 76 10.601 -7.274 2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.279 -8.548 4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.641 -8.418 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.090 -6.931 6.355 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.632 -7.207 3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.391 -5.819 8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.933 -6.087 5.732 1.00 0.00 H new ATOM 0 HH TYR A 76 15.906 -5.173 7.768 1.00 0.00 H new ATOM 1187 N LEU A 77 9.098 -6.583 4.304 1.00 0.00 N ATOM 1188 CA LEU A 77 8.152 -5.922 5.252 1.00 0.00 C ATOM 1189 C LEU A 77 8.343 -6.616 6.603 1.00 0.00 C ATOM 1190 O LEU A 77 7.856 -6.192 7.633 1.00 0.00 O ATOM 1191 CB LEU A 77 6.752 -6.185 4.688 1.00 0.00 C ATOM 1192 CG LEU A 77 5.773 -5.137 5.228 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.771 -4.759 4.135 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.017 -5.711 6.428 1.00 0.00 C ATOM 0 H LEU A 77 8.769 -7.465 3.911 1.00 0.00 H new ATOM 0 HA LEU A 77 8.308 -4.850 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.775 -6.148 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.419 -7.185 4.966 1.00 0.00 H new ATOM 0 HG LEU A 77 6.329 -4.252 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.076 -4.014 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.305 -4.348 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.218 -5.646 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.321 -4.964 6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.464 -6.598 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.727 -5.980 7.210 1.00 0.00 H new ATOM 1206 N ALA A 78 9.114 -7.671 6.571 1.00 0.00 N ATOM 1207 CA ALA A 78 9.463 -8.450 7.780 1.00 0.00 C ATOM 1208 C ALA A 78 10.798 -9.133 7.477 1.00 0.00 C ATOM 1209 O ALA A 78 10.925 -9.838 6.495 1.00 0.00 O ATOM 1210 CB ALA A 78 8.341 -9.476 7.953 1.00 0.00 C ATOM 0 H ALA A 78 9.530 -8.034 5.713 1.00 0.00 H new ATOM 0 HA ALA A 78 9.560 -7.855 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.539 -10.087 8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.390 -8.958 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.293 -10.115 7.071 1.00 0.00 H new ATOM 1216 N GLU A 79 11.805 -8.907 8.279 1.00 0.00 N ATOM 1217 CA GLU A 79 13.143 -9.521 7.998 1.00 0.00 C ATOM 1218 C GLU A 79 13.017 -11.019 7.706 1.00 0.00 C ATOM 1219 O GLU A 79 13.909 -11.626 7.147 1.00 0.00 O ATOM 1220 CB GLU A 79 13.965 -9.287 9.264 1.00 0.00 C ATOM 1221 CG GLU A 79 14.683 -7.943 9.156 1.00 0.00 C ATOM 1222 CD GLU A 79 15.674 -7.796 10.314 1.00 0.00 C ATOM 1223 OE1 GLU A 79 16.699 -8.457 10.276 1.00 0.00 O ATOM 1224 OE2 GLU A 79 15.389 -7.026 11.217 1.00 0.00 O ATOM 0 H GLU A 79 11.762 -8.325 9.116 1.00 0.00 H new ATOM 0 HA GLU A 79 13.609 -9.078 7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.316 -9.297 10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.690 -10.090 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.209 -7.875 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.958 -7.129 9.179 1.00 0.00 H new ATOM 1231 N LYS A 80 11.913 -11.610 8.072 1.00 0.00 N ATOM 1232 CA LYS A 80 11.707 -13.070 7.810 1.00 0.00 C ATOM 1233 C LYS A 80 12.154 -13.429 6.387 1.00 0.00 C ATOM 1234 O LYS A 80 12.737 -14.468 6.150 1.00 0.00 O ATOM 1235 CB LYS A 80 10.200 -13.281 7.954 1.00 0.00 C ATOM 1236 CG LYS A 80 9.892 -13.868 9.333 1.00 0.00 C ATOM 1237 CD LYS A 80 9.933 -15.395 9.259 1.00 0.00 C ATOM 1238 CE LYS A 80 10.090 -15.972 10.667 1.00 0.00 C ATOM 1239 NZ LYS A 80 9.280 -17.221 10.663 1.00 0.00 N ATOM 0 H LYS A 80 11.138 -11.145 8.544 1.00 0.00 H new ATOM 0 HA LYS A 80 12.284 -13.695 8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.676 -12.334 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.841 -13.952 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.618 -13.509 10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.910 -13.536 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.019 -15.772 8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.762 -15.717 8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.136 -16.180 10.894 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.733 -15.272 11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.338 -17.675 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.288 -16.991 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.647 -17.871 9.939 1.00 0.00 H new ATOM 1253 N HIS A 81 11.891 -12.564 5.443 1.00 0.00 N ATOM 1254 CA HIS A 81 12.302 -12.831 4.035 1.00 0.00 C ATOM 1255 C HIS A 81 12.506 -11.499 3.323 1.00 0.00 C ATOM 1256 O HIS A 81 11.756 -10.563 3.529 1.00 0.00 O ATOM 1257 CB HIS A 81 11.139 -13.602 3.411 1.00 0.00 C ATOM 1258 CG HIS A 81 11.001 -14.939 4.084 1.00 0.00 C ATOM 1259 ND1 HIS A 81 11.982 -15.915 3.997 1.00 0.00 N ATOM 1260 CD2 HIS A 81 10.003 -15.478 4.857 1.00 0.00 C ATOM 1261 CE1 HIS A 81 11.557 -16.980 4.702 1.00 0.00 C ATOM 1262 NE2 HIS A 81 10.356 -16.766 5.248 1.00 0.00 N ATOM 0 H HIS A 81 11.406 -11.679 5.589 1.00 0.00 H new ATOM 0 HA HIS A 81 13.231 -13.396 3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.215 -13.034 3.516 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.310 -13.737 2.343 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.083 -14.978 5.122 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.118 -17.896 4.813 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.815 -17.408 5.827 1.00 0.00 H new ATOM 1270 N LEU A 82 13.514 -11.383 2.504 1.00 0.00 N ATOM 1271 CA LEU A 82 13.740 -10.088 1.822 1.00 0.00 C ATOM 1272 C LEU A 82 14.340 -10.291 0.427 1.00 0.00 C ATOM 1273 O LEU A 82 15.180 -11.144 0.214 1.00 0.00 O ATOM 1274 CB LEU A 82 14.702 -9.328 2.748 1.00 0.00 C ATOM 1275 CG LEU A 82 16.061 -10.017 2.792 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.086 -9.065 3.412 1.00 0.00 C ATOM 1277 CD2 LEU A 82 15.982 -11.290 3.643 1.00 0.00 C ATOM 0 H LEU A 82 14.181 -12.122 2.282 1.00 0.00 H new ATOM 0 HA LEU A 82 12.813 -9.539 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.819 -8.303 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.282 -9.275 3.753 1.00 0.00 H new ATOM 0 HG LEU A 82 16.359 -10.283 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.061 -9.552 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.154 -8.160 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.775 -8.804 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 82 16.959 -11.773 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.681 -11.031 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.250 -11.972 3.210 1.00 0.00 H new ATOM 1289 N PHE A 83 13.911 -9.503 -0.522 1.00 0.00 N ATOM 1290 CA PHE A 83 14.445 -9.627 -1.907 1.00 0.00 C ATOM 1291 C PHE A 83 15.339 -8.423 -2.217 1.00 0.00 C ATOM 1292 O PHE A 83 15.777 -7.727 -1.323 1.00 0.00 O ATOM 1293 CB PHE A 83 13.211 -9.638 -2.809 1.00 0.00 C ATOM 1294 CG PHE A 83 12.712 -11.056 -2.951 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.167 -11.721 -1.846 1.00 0.00 C ATOM 1296 CD2 PHE A 83 12.795 -11.708 -4.188 1.00 0.00 C ATOM 1297 CE1 PHE A 83 11.706 -13.036 -1.977 1.00 0.00 C ATOM 1298 CE2 PHE A 83 12.335 -13.023 -4.320 1.00 0.00 C ATOM 1299 CZ PHE A 83 11.790 -13.687 -3.214 1.00 0.00 C ATOM 0 H PHE A 83 13.209 -8.774 -0.395 1.00 0.00 H new ATOM 0 HA PHE A 83 15.050 -10.523 -2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.431 -9.006 -2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.458 -9.227 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.102 -11.219 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.215 -11.195 -5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.286 -13.548 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.400 -13.525 -5.274 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.434 -14.702 -3.315 1.00 0.00 H new ATOM 1309 N SER A 84 15.618 -8.172 -3.468 1.00 0.00 N ATOM 1310 CA SER A 84 16.490 -7.011 -3.812 1.00 0.00 C ATOM 1311 C SER A 84 15.652 -5.813 -4.285 1.00 0.00 C ATOM 1312 O SER A 84 16.187 -4.811 -4.714 1.00 0.00 O ATOM 1313 CB SER A 84 17.390 -7.513 -4.940 1.00 0.00 C ATOM 1314 OG SER A 84 18.692 -6.966 -4.782 1.00 0.00 O ATOM 0 H SER A 84 15.282 -8.717 -4.262 1.00 0.00 H new ATOM 0 HA SER A 84 17.061 -6.666 -2.950 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.437 -8.602 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.977 -7.224 -5.906 1.00 0.00 H new ATOM 0 HG SER A 84 18.883 -6.846 -3.828 1.00 0.00 H new ATOM 1320 N THR A 85 14.345 -5.900 -4.208 1.00 0.00 N ATOM 1321 CA THR A 85 13.487 -4.753 -4.644 1.00 0.00 C ATOM 1322 C THR A 85 12.039 -4.965 -4.185 1.00 0.00 C ATOM 1323 O THR A 85 11.625 -6.075 -3.903 1.00 0.00 O ATOM 1324 CB THR A 85 13.541 -4.733 -6.178 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.838 -5.090 -6.632 1.00 0.00 O ATOM 1326 CG2 THR A 85 13.193 -3.330 -6.678 1.00 0.00 C ATOM 0 H THR A 85 13.837 -6.714 -3.863 1.00 0.00 H new ATOM 0 HA THR A 85 13.840 -3.816 -4.214 1.00 0.00 H new ATOM 0 HB THR A 85 12.822 -5.454 -6.567 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.507 -4.531 -6.185 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.230 -3.312 -7.767 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.190 -3.063 -6.345 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.910 -2.613 -6.279 1.00 0.00 H new ATOM 1334 N ILE A 86 11.261 -3.912 -4.117 1.00 0.00 N ATOM 1335 CA ILE A 86 9.839 -4.064 -3.685 1.00 0.00 C ATOM 1336 C ILE A 86 9.045 -4.913 -4.700 1.00 0.00 C ATOM 1337 O ILE A 86 8.442 -5.896 -4.316 1.00 0.00 O ATOM 1338 CB ILE A 86 9.296 -2.635 -3.591 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.729 -2.022 -2.256 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.765 -2.642 -3.671 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.915 -1.082 -2.483 1.00 0.00 C ATOM 0 H ILE A 86 11.548 -2.959 -4.341 1.00 0.00 H new ATOM 0 HA ILE A 86 9.750 -4.586 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 86 9.691 -2.048 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.899 -1.475 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.005 -2.810 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.392 -1.620 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.452 -3.080 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.360 -3.231 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.222 -0.647 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.747 -1.642 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.623 -0.287 -3.169 1.00 0.00 H new ATOM 1353 N PRO A 87 9.061 -4.532 -5.965 1.00 0.00 N ATOM 1354 CA PRO A 87 8.321 -5.309 -6.989 1.00 0.00 C ATOM 1355 C PRO A 87 8.755 -6.775 -6.952 1.00 0.00 C ATOM 1356 O PRO A 87 7.950 -7.674 -7.093 1.00 0.00 O ATOM 1357 CB PRO A 87 8.736 -4.630 -8.299 1.00 0.00 C ATOM 1358 CG PRO A 87 9.696 -3.473 -7.969 1.00 0.00 C ATOM 1359 CD PRO A 87 9.799 -3.338 -6.443 1.00 0.00 C ATOM 0 HA PRO A 87 7.241 -5.317 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.222 -5.348 -8.960 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.858 -4.255 -8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.679 -3.664 -8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.332 -2.544 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.835 -3.339 -6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.348 -2.412 -6.086 1.00 0.00 H new ATOM 1367 N GLU A 88 10.020 -7.022 -6.739 1.00 0.00 N ATOM 1368 CA GLU A 88 10.499 -8.431 -6.667 1.00 0.00 C ATOM 1369 C GLU A 88 9.847 -9.118 -5.467 1.00 0.00 C ATOM 1370 O GLU A 88 9.467 -10.269 -5.526 1.00 0.00 O ATOM 1371 CB GLU A 88 12.013 -8.334 -6.479 1.00 0.00 C ATOM 1372 CG GLU A 88 12.667 -9.647 -6.916 1.00 0.00 C ATOM 1373 CD GLU A 88 12.688 -9.724 -8.443 1.00 0.00 C ATOM 1374 OE1 GLU A 88 13.127 -8.767 -9.059 1.00 0.00 O ATOM 1375 OE2 GLU A 88 12.263 -10.738 -8.971 1.00 0.00 O ATOM 0 H GLU A 88 10.740 -6.311 -6.612 1.00 0.00 H new ATOM 0 HA GLU A 88 10.248 -9.010 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.410 -7.505 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.248 -8.128 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.682 -9.708 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.116 -10.494 -6.506 1.00 0.00 H new ATOM 1382 N LEU A 89 9.705 -8.404 -4.380 1.00 0.00 N ATOM 1383 CA LEU A 89 9.064 -8.995 -3.167 1.00 0.00 C ATOM 1384 C LEU A 89 7.588 -9.294 -3.448 1.00 0.00 C ATOM 1385 O LEU A 89 7.126 -10.406 -3.282 1.00 0.00 O ATOM 1386 CB LEU A 89 9.189 -7.915 -2.086 1.00 0.00 C ATOM 1387 CG LEU A 89 9.997 -8.452 -0.906 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.588 -7.282 -0.117 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.081 -9.271 0.007 1.00 0.00 C ATOM 0 H LEU A 89 10.006 -7.435 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 89 9.533 -9.932 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.674 -7.030 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.199 -7.608 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 89 10.804 -9.085 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.164 -7.665 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.239 -6.697 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.782 -6.649 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.656 -9.655 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.275 -8.637 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.659 -10.105 -0.554 1.00 0.00 H new ATOM 1401 N ILE A 90 6.844 -8.305 -3.873 1.00 0.00 N ATOM 1402 CA ILE A 90 5.394 -8.523 -4.166 1.00 0.00 C ATOM 1403 C ILE A 90 5.217 -9.712 -5.116 1.00 0.00 C ATOM 1404 O ILE A 90 4.419 -10.596 -4.876 1.00 0.00 O ATOM 1405 CB ILE A 90 4.920 -7.225 -4.826 1.00 0.00 C ATOM 1406 CG1 ILE A 90 5.072 -6.067 -3.836 1.00 0.00 C ATOM 1407 CG2 ILE A 90 3.449 -7.357 -5.226 1.00 0.00 C ATOM 1408 CD1 ILE A 90 5.378 -4.778 -4.602 1.00 0.00 C ATOM 0 H ILE A 90 7.178 -7.354 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 90 4.821 -8.752 -3.267 1.00 0.00 H new ATOM 0 HB ILE A 90 5.521 -7.032 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.157 -5.949 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.873 -6.282 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.115 -6.432 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.336 -8.182 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.847 -7.552 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.486 -3.953 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.304 -4.900 -5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.562 -4.562 -5.291 1.00 0.00 H new ATOM 1420 N ASN A 91 5.961 -9.742 -6.189 1.00 0.00 N ATOM 1421 CA ASN A 91 5.840 -10.879 -7.150 1.00 0.00 C ATOM 1422 C ASN A 91 6.184 -12.194 -6.445 1.00 0.00 C ATOM 1423 O ASN A 91 5.553 -13.210 -6.658 1.00 0.00 O ATOM 1424 CB ASN A 91 6.856 -10.578 -8.253 1.00 0.00 C ATOM 1425 CG ASN A 91 6.268 -10.972 -9.610 1.00 0.00 C ATOM 1426 OD1 ASN A 91 5.895 -12.109 -9.816 1.00 0.00 O ATOM 1427 ND2 ASN A 91 6.170 -10.072 -10.550 1.00 0.00 N ATOM 0 H ASN A 91 6.646 -9.030 -6.442 1.00 0.00 H new ATOM 0 HA ASN A 91 4.831 -10.982 -7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.110 -9.518 -8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.779 -11.128 -8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.780 -10.324 -11.458 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.483 -9.117 -10.376 1.00 0.00 H new ATOM 1434 N TYR A 92 7.182 -12.174 -5.603 1.00 0.00 N ATOM 1435 CA TYR A 92 7.576 -13.416 -4.873 1.00 0.00 C ATOM 1436 C TYR A 92 6.479 -13.811 -3.873 1.00 0.00 C ATOM 1437 O TYR A 92 6.407 -14.942 -3.433 1.00 0.00 O ATOM 1438 CB TYR A 92 8.893 -13.050 -4.162 1.00 0.00 C ATOM 1439 CG TYR A 92 8.832 -13.407 -2.693 1.00 0.00 C ATOM 1440 CD1 TYR A 92 8.894 -14.747 -2.296 1.00 0.00 C ATOM 1441 CD2 TYR A 92 8.715 -12.397 -1.732 1.00 0.00 C ATOM 1442 CE1 TYR A 92 8.838 -15.077 -0.937 1.00 0.00 C ATOM 1443 CE2 TYR A 92 8.660 -12.725 -0.373 1.00 0.00 C ATOM 1444 CZ TYR A 92 8.722 -14.067 0.025 1.00 0.00 C ATOM 1445 OH TYR A 92 8.667 -14.391 1.365 1.00 0.00 O ATOM 0 H TYR A 92 7.743 -11.350 -5.388 1.00 0.00 H new ATOM 0 HA TYR A 92 7.706 -14.274 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.723 -13.575 -4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.086 -11.983 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.985 -15.527 -3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.667 -11.363 -2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.884 -16.112 -0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.570 -11.945 0.368 1.00 0.00 H new ATOM 0 HH TYR A 92 8.588 -13.572 1.897 1.00 0.00 H new ATOM 1455 N HIS A 93 5.627 -12.887 -3.511 1.00 0.00 N ATOM 1456 CA HIS A 93 4.541 -13.212 -2.539 1.00 0.00 C ATOM 1457 C HIS A 93 3.446 -14.041 -3.219 1.00 0.00 C ATOM 1458 O HIS A 93 2.975 -15.022 -2.677 1.00 0.00 O ATOM 1459 CB HIS A 93 3.988 -11.856 -2.093 1.00 0.00 C ATOM 1460 CG HIS A 93 2.932 -12.059 -1.040 1.00 0.00 C ATOM 1461 ND1 HIS A 93 2.726 -13.284 -0.421 1.00 0.00 N ATOM 1462 CD2 HIS A 93 2.015 -11.201 -0.486 1.00 0.00 C ATOM 1463 CE1 HIS A 93 1.719 -13.128 0.459 1.00 0.00 C ATOM 1464 NE2 HIS A 93 1.251 -11.877 0.460 1.00 0.00 N ATOM 0 H HIS A 93 5.636 -11.923 -3.846 1.00 0.00 H new ATOM 0 HA HIS A 93 4.906 -13.801 -1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.793 -11.236 -1.699 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.566 -11.326 -2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.903 -10.159 -0.745 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.336 -13.918 1.088 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.496 -11.499 1.032 1.00 0.00 H new ATOM 1472 N GLN A 94 3.035 -13.654 -4.397 1.00 0.00 N ATOM 1473 CA GLN A 94 1.967 -14.422 -5.105 1.00 0.00 C ATOM 1474 C GLN A 94 2.544 -15.713 -5.695 1.00 0.00 C ATOM 1475 O GLN A 94 2.324 -16.792 -5.181 1.00 0.00 O ATOM 1476 CB GLN A 94 1.480 -13.492 -6.220 1.00 0.00 C ATOM 1477 CG GLN A 94 0.146 -12.854 -5.814 1.00 0.00 C ATOM 1478 CD GLN A 94 0.361 -11.373 -5.497 1.00 0.00 C ATOM 1479 OE1 GLN A 94 1.338 -11.008 -4.873 1.00 0.00 O ATOM 1480 NE2 GLN A 94 -0.517 -10.497 -5.903 1.00 0.00 N ATOM 0 H GLN A 94 3.391 -12.841 -4.900 1.00 0.00 H new ATOM 0 HA GLN A 94 1.157 -14.714 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.222 -12.717 -6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.359 -14.052 -7.147 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.580 -12.962 -6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.264 -13.367 -4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.337 -10.802 -6.427 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.383 -9.507 -5.697 1.00 0.00 H new ATOM 1489 N HIS A 95 3.280 -15.609 -6.773 1.00 0.00 N ATOM 1490 CA HIS A 95 3.875 -16.828 -7.404 1.00 0.00 C ATOM 1491 C HIS A 95 2.802 -17.901 -7.621 1.00 0.00 C ATOM 1492 O HIS A 95 3.083 -19.083 -7.610 1.00 0.00 O ATOM 1493 CB HIS A 95 4.931 -17.316 -6.411 1.00 0.00 C ATOM 1494 CG HIS A 95 6.297 -16.905 -6.886 1.00 0.00 C ATOM 1495 ND1 HIS A 95 6.576 -15.614 -7.308 1.00 0.00 N ATOM 1496 CD2 HIS A 95 7.473 -17.603 -7.015 1.00 0.00 C ATOM 1497 CE1 HIS A 95 7.872 -15.575 -7.666 1.00 0.00 C ATOM 1498 NE2 HIS A 95 8.466 -16.761 -7.507 1.00 0.00 N ATOM 0 H HIS A 95 3.495 -14.731 -7.245 1.00 0.00 H new ATOM 0 HA HIS A 95 4.304 -16.613 -8.383 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.737 -16.898 -5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.880 -18.400 -6.313 1.00 0.00 H new ATOM 0 HD1 HIS A 95 5.918 -14.835 -7.341 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.607 -18.647 -6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.372 -14.692 -8.037 1.00 0.00 H new ATOM 1506 N ASN A 96 1.576 -17.497 -7.815 1.00 0.00 N ATOM 1507 CA ASN A 96 0.484 -18.492 -8.031 1.00 0.00 C ATOM 1508 C ASN A 96 0.589 -19.098 -9.434 1.00 0.00 C ATOM 1509 O ASN A 96 1.245 -18.559 -10.304 1.00 0.00 O ATOM 1510 CB ASN A 96 -0.814 -17.695 -7.888 1.00 0.00 C ATOM 1511 CG ASN A 96 -2.005 -18.656 -7.888 1.00 0.00 C ATOM 1512 OD1 ASN A 96 -2.775 -18.687 -8.828 1.00 0.00 O ATOM 1513 ND2 ASN A 96 -2.192 -19.446 -6.866 1.00 0.00 N ATOM 0 H ASN A 96 1.282 -16.520 -7.833 1.00 0.00 H new ATOM 0 HA ASN A 96 0.535 -19.319 -7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.799 -17.118 -6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.908 -16.982 -8.707 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.984 -20.089 -6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.546 -19.421 -6.077 1.00 0.00 H new ATOM 1520 N SER A 97 -0.051 -20.214 -9.656 1.00 0.00 N ATOM 1521 CA SER A 97 0.010 -20.858 -11.002 1.00 0.00 C ATOM 1522 C SER A 97 -1.085 -20.293 -11.910 1.00 0.00 C ATOM 1523 O SER A 97 -1.633 -19.239 -11.654 1.00 0.00 O ATOM 1524 CB SER A 97 -0.224 -22.345 -10.740 1.00 0.00 C ATOM 1525 OG SER A 97 0.709 -22.804 -9.771 1.00 0.00 O ATOM 0 H SER A 97 -0.614 -20.709 -8.964 1.00 0.00 H new ATOM 0 HA SER A 97 0.961 -20.677 -11.503 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.242 -22.508 -10.387 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.113 -22.911 -11.665 1.00 0.00 H new ATOM 0 HG SER A 97 0.560 -23.757 -9.600 1.00 0.00 H new ATOM 1531 N ALA A 98 -1.407 -20.988 -12.967 1.00 0.00 N ATOM 1532 CA ALA A 98 -2.468 -20.494 -13.894 1.00 0.00 C ATOM 1533 C ALA A 98 -3.822 -20.459 -13.179 1.00 0.00 C ATOM 1534 O ALA A 98 -4.595 -21.394 -13.249 1.00 0.00 O ATOM 1535 CB ALA A 98 -2.496 -21.501 -15.045 1.00 0.00 C ATOM 0 H ALA A 98 -0.982 -21.877 -13.230 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.267 -19.482 -14.245 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.254 -21.204 -15.770 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.520 -21.526 -15.530 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.733 -22.491 -14.656 1.00 0.00 H new ATOM 1541 N GLY A 99 -4.111 -19.387 -12.490 1.00 0.00 N ATOM 1542 CA GLY A 99 -5.412 -19.289 -11.770 1.00 0.00 C ATOM 1543 C GLY A 99 -6.118 -17.991 -12.164 1.00 0.00 C ATOM 1544 O GLY A 99 -7.284 -17.987 -12.509 1.00 0.00 O ATOM 0 H GLY A 99 -3.501 -18.575 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.040 -20.146 -12.015 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.246 -19.312 -10.693 1.00 0.00 H new ATOM 1548 N LEU A 100 -5.420 -16.888 -12.117 1.00 0.00 N ATOM 1549 CA LEU A 100 -6.049 -15.586 -12.488 1.00 0.00 C ATOM 1550 C LEU A 100 -5.448 -15.066 -13.798 1.00 0.00 C ATOM 1551 O LEU A 100 -4.882 -15.814 -14.571 1.00 0.00 O ATOM 1552 CB LEU A 100 -5.718 -14.638 -11.329 1.00 0.00 C ATOM 1553 CG LEU A 100 -7.012 -14.141 -10.673 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -7.835 -13.349 -11.691 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -7.830 -15.336 -10.174 1.00 0.00 C ATOM 0 H LEU A 100 -4.441 -16.832 -11.838 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.124 -15.675 -12.644 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.101 -15.152 -10.592 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.138 -13.791 -11.695 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.761 -13.497 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.754 -12.997 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.256 -12.494 -12.041 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.082 -13.990 -12.537 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.749 -14.979 -9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.077 -15.984 -11.015 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.247 -15.896 -9.443 1.00 0.00 H new ATOM 1567 N ILE A 101 -5.570 -13.791 -14.053 1.00 0.00 N ATOM 1568 CA ILE A 101 -5.007 -13.223 -15.313 1.00 0.00 C ATOM 1569 C ILE A 101 -4.499 -11.795 -15.075 1.00 0.00 C ATOM 1570 O ILE A 101 -4.306 -11.033 -16.004 1.00 0.00 O ATOM 1571 CB ILE A 101 -6.177 -13.227 -16.303 1.00 0.00 C ATOM 1572 CG1 ILE A 101 -5.707 -12.678 -17.653 1.00 0.00 C ATOM 1573 CG2 ILE A 101 -7.313 -12.353 -15.766 1.00 0.00 C ATOM 1574 CD1 ILE A 101 -6.624 -13.195 -18.763 1.00 0.00 C ATOM 0 H ILE A 101 -6.035 -13.118 -13.444 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.158 -13.797 -15.684 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.536 -14.248 -16.429 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.717 -11.588 -17.637 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.679 -12.985 -17.844 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.142 -12.359 -16.473 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.651 -12.745 -14.807 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.955 -11.332 -15.635 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.289 -12.804 -19.724 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.592 -14.284 -18.784 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.646 -12.866 -18.574 1.00 0.00 H new ATOM 1586 N SER A 102 -4.278 -11.426 -13.840 1.00 0.00 N ATOM 1587 CA SER A 102 -3.782 -10.049 -13.547 1.00 0.00 C ATOM 1588 C SER A 102 -3.380 -9.933 -12.074 1.00 0.00 C ATOM 1589 O SER A 102 -4.054 -10.438 -11.197 1.00 0.00 O ATOM 1590 CB SER A 102 -4.961 -9.127 -13.854 1.00 0.00 C ATOM 1591 OG SER A 102 -4.636 -7.800 -13.456 1.00 0.00 O ATOM 0 H SER A 102 -4.420 -12.019 -13.022 1.00 0.00 H new ATOM 0 HA SER A 102 -2.902 -9.795 -14.138 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.191 -9.154 -14.919 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.852 -9.469 -13.327 1.00 0.00 H new ATOM 0 HG SER A 102 -5.390 -7.205 -13.653 1.00 0.00 H new ATOM 1597 N ARG A 103 -2.289 -9.271 -11.797 1.00 0.00 N ATOM 1598 CA ARG A 103 -1.845 -9.120 -10.380 1.00 0.00 C ATOM 1599 C ARG A 103 -2.533 -7.914 -9.736 1.00 0.00 C ATOM 1600 O ARG A 103 -3.435 -7.329 -10.302 1.00 0.00 O ATOM 1601 CB ARG A 103 -0.333 -8.898 -10.461 1.00 0.00 C ATOM 1602 CG ARG A 103 0.361 -9.650 -9.321 1.00 0.00 C ATOM 1603 CD ARG A 103 1.255 -10.751 -9.898 1.00 0.00 C ATOM 1604 NE ARG A 103 0.325 -11.664 -10.618 1.00 0.00 N ATOM 1605 CZ ARG A 103 0.321 -12.939 -10.346 1.00 0.00 C ATOM 1606 NH1 ARG A 103 1.448 -13.576 -10.187 1.00 0.00 N ATOM 1607 NH2 ARG A 103 -0.812 -13.578 -10.231 1.00 0.00 N ATOM 0 H ARG A 103 -1.686 -8.828 -12.490 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.097 -9.989 -9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 103 0.044 -9.247 -11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.108 -7.833 -10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.958 -8.958 -8.726 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.383 -10.085 -8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 103 2.004 -10.338 -10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 103 1.793 -11.277 -9.109 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.309 -11.292 -11.325 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.333 -13.077 -10.275 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.444 -14.574 -9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.693 -13.080 -10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.816 -14.576 -10.018 1.00 0.00 H new ATOM 1621 N LEU A 104 -2.113 -7.538 -8.554 1.00 0.00 N ATOM 1622 CA LEU A 104 -2.739 -6.368 -7.862 1.00 0.00 C ATOM 1623 C LEU A 104 -4.249 -6.581 -7.716 1.00 0.00 C ATOM 1624 O LEU A 104 -4.812 -7.504 -8.273 1.00 0.00 O ATOM 1625 CB LEU A 104 -2.448 -5.164 -8.763 1.00 0.00 C ATOM 1626 CG LEU A 104 -2.797 -3.872 -8.022 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -1.778 -2.787 -8.378 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -4.198 -3.410 -8.435 1.00 0.00 C ATOM 0 H LEU A 104 -1.361 -7.992 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.342 -6.226 -6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.397 -5.158 -9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.029 -5.236 -9.682 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.775 -4.053 -6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.027 -1.867 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.780 -3.115 -8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.800 -2.606 -9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.448 -2.489 -7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.220 -3.230 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.925 -4.182 -8.182 1.00 0.00 H new ATOM 1640 N LYS A 105 -4.910 -5.737 -6.969 1.00 0.00 N ATOM 1641 CA LYS A 105 -6.381 -5.895 -6.786 1.00 0.00 C ATOM 1642 C LYS A 105 -7.136 -4.827 -7.586 1.00 0.00 C ATOM 1643 O LYS A 105 -7.651 -5.098 -8.653 1.00 0.00 O ATOM 1644 CB LYS A 105 -6.617 -5.719 -5.289 1.00 0.00 C ATOM 1645 CG LYS A 105 -6.511 -7.077 -4.592 1.00 0.00 C ATOM 1646 CD LYS A 105 -7.875 -7.773 -4.614 1.00 0.00 C ATOM 1647 CE LYS A 105 -8.128 -8.450 -3.265 1.00 0.00 C ATOM 1648 NZ LYS A 105 -7.518 -9.803 -3.394 1.00 0.00 N ATOM 0 H LYS A 105 -4.494 -4.945 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.739 -6.862 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.884 -5.027 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.601 -5.284 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.767 -7.697 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.176 -6.944 -3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.661 -7.047 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.904 -8.512 -5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.673 -7.888 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.195 -8.516 -3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.651 -10.330 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.976 -10.317 -4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.501 -9.708 -3.591 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.207 -3.615 -7.089 1.00 0.00 N ATOM 1663 CA TYR A 106 -7.932 -2.555 -7.849 1.00 0.00 C ATOM 1664 C TYR A 106 -7.055 -1.297 -7.977 1.00 0.00 C ATOM 1665 O TYR A 106 -6.756 -0.656 -6.989 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.190 -2.256 -7.033 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.038 -1.268 -7.791 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.675 0.081 -7.813 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.175 -1.700 -8.480 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.450 1.003 -8.525 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -11.952 -0.779 -9.192 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.589 0.572 -9.216 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.354 1.480 -9.919 1.00 0.00 O ATOM 0 H TYR A 106 -6.799 -3.319 -6.202 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.178 -2.874 -8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.750 -3.174 -6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.920 -1.851 -6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.796 0.412 -7.280 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.454 -2.743 -8.463 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.170 2.046 -8.542 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.832 -1.111 -9.723 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.620 2.213 -9.325 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.657 -0.985 -9.193 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.796 0.199 -9.436 1.00 0.00 C ATOM 1685 C PRO A 107 -6.516 1.511 -9.114 1.00 0.00 C ATOM 1686 O PRO A 107 -7.139 2.114 -9.966 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.503 0.101 -10.936 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.217 -1.140 -11.502 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.032 -1.793 -10.380 1.00 0.00 C ATOM 0 HA PRO A 107 -4.905 0.204 -8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.847 1.000 -11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.429 0.029 -11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.870 -0.857 -12.327 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.488 -1.846 -11.900 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.103 -1.748 -10.578 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.775 -2.845 -10.252 1.00 0.00 H new ATOM 1697 N VAL A 108 -6.396 1.976 -7.903 1.00 0.00 N ATOM 1698 CA VAL A 108 -7.026 3.270 -7.529 1.00 0.00 C ATOM 1699 C VAL A 108 -5.935 4.214 -7.006 1.00 0.00 C ATOM 1700 O VAL A 108 -4.955 3.769 -6.445 1.00 0.00 O ATOM 1701 CB VAL A 108 -8.028 2.920 -6.428 1.00 0.00 C ATOM 1702 CG1 VAL A 108 -7.285 2.455 -5.172 1.00 0.00 C ATOM 1703 CG2 VAL A 108 -8.872 4.152 -6.094 1.00 0.00 C ATOM 0 H VAL A 108 -5.885 1.512 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.520 3.769 -8.363 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.676 2.116 -6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.006 2.208 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.689 1.573 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.630 3.252 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.586 3.902 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.222 4.956 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.410 4.476 -6.984 1.00 0.00 H new ATOM 1713 N SER A 109 -6.074 5.502 -7.185 1.00 0.00 N ATOM 1714 CA SER A 109 -5.015 6.421 -6.686 1.00 0.00 C ATOM 1715 C SER A 109 -5.626 7.522 -5.829 1.00 0.00 C ATOM 1716 O SER A 109 -6.740 7.417 -5.357 1.00 0.00 O ATOM 1717 CB SER A 109 -4.376 7.032 -7.934 1.00 0.00 C ATOM 1718 OG SER A 109 -4.515 6.142 -9.030 1.00 0.00 O ATOM 0 H SER A 109 -6.864 5.950 -7.649 1.00 0.00 H new ATOM 0 HA SER A 109 -4.288 5.893 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.849 7.986 -8.166 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.321 7.236 -7.751 1.00 0.00 H new ATOM 0 HG SER A 109 -3.629 5.848 -9.327 1.00 0.00 H new ATOM 1724 N GLN A 110 -4.890 8.580 -5.646 1.00 0.00 N ATOM 1725 CA GLN A 110 -5.372 9.740 -4.840 1.00 0.00 C ATOM 1726 C GLN A 110 -6.873 9.984 -5.042 1.00 0.00 C ATOM 1727 O GLN A 110 -7.582 10.346 -4.122 1.00 0.00 O ATOM 1728 CB GLN A 110 -4.582 10.927 -5.388 1.00 0.00 C ATOM 1729 CG GLN A 110 -4.654 10.917 -6.920 1.00 0.00 C ATOM 1730 CD GLN A 110 -3.348 11.470 -7.492 1.00 0.00 C ATOM 1731 OE1 GLN A 110 -3.362 12.350 -8.330 1.00 0.00 O ATOM 1732 NE2 GLN A 110 -2.210 10.986 -7.070 1.00 0.00 N ATOM 0 H GLN A 110 -3.952 8.694 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.229 9.575 -3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.989 11.860 -4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -3.544 10.871 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.821 9.902 -7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -5.497 11.519 -7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.199 10.247 -6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.332 11.347 -7.444 1.00 0.00 H new ATOM 1741 N GLN A 111 -7.359 9.790 -6.238 1.00 0.00 N ATOM 1742 CA GLN A 111 -8.806 10.014 -6.498 1.00 0.00 C ATOM 1743 C GLN A 111 -9.240 9.287 -7.774 1.00 0.00 C ATOM 1744 O GLN A 111 -8.848 9.637 -8.870 1.00 0.00 O ATOM 1745 CB GLN A 111 -8.959 11.528 -6.653 1.00 0.00 C ATOM 1746 CG GLN A 111 -8.054 12.028 -7.784 1.00 0.00 C ATOM 1747 CD GLN A 111 -8.910 12.631 -8.900 1.00 0.00 C ATOM 1748 OE1 GLN A 111 -10.008 12.177 -9.151 1.00 0.00 O ATOM 1749 NE2 GLN A 111 -8.450 13.643 -9.585 1.00 0.00 N ATOM 0 H GLN A 111 -6.815 9.486 -7.045 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.431 9.628 -5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -9.998 11.778 -6.869 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -8.699 12.027 -5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -7.358 12.775 -7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.456 11.205 -8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.528 14.024 -9.374 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.013 14.052 -10.331 1.00 0.00 H new ATOM 1758 N ASN A 112 -10.053 8.281 -7.628 1.00 0.00 N ATOM 1759 CA ASN A 112 -10.536 7.515 -8.808 1.00 0.00 C ATOM 1760 C ASN A 112 -11.640 6.551 -8.368 1.00 0.00 C ATOM 1761 O ASN A 112 -11.501 5.347 -8.455 1.00 0.00 O ATOM 1762 CB ASN A 112 -9.316 6.746 -9.319 1.00 0.00 C ATOM 1763 CG ASN A 112 -8.735 7.461 -10.541 1.00 0.00 C ATOM 1764 OD1 ASN A 112 -9.369 7.537 -11.575 1.00 0.00 O ATOM 1765 ND2 ASN A 112 -7.546 7.995 -10.465 1.00 0.00 N ATOM 0 H ASN A 112 -10.408 7.953 -6.730 1.00 0.00 H new ATOM 0 HA ASN A 112 -10.952 8.157 -9.584 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -8.563 6.675 -8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.599 5.727 -9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -7.150 8.475 -11.273 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.013 7.932 -9.598 1.00 0.00 H new ATOM 1772 N LYS A 113 -12.733 7.079 -7.887 1.00 0.00 N ATOM 1773 CA LYS A 113 -13.851 6.202 -7.428 1.00 0.00 C ATOM 1774 C LYS A 113 -14.670 5.726 -8.630 1.00 0.00 C ATOM 1775 O LYS A 113 -15.724 6.257 -8.925 1.00 0.00 O ATOM 1776 CB LYS A 113 -14.709 7.079 -6.504 1.00 0.00 C ATOM 1777 CG LYS A 113 -13.820 7.878 -5.536 1.00 0.00 C ATOM 1778 CD LYS A 113 -12.942 6.927 -4.712 1.00 0.00 C ATOM 1779 CE LYS A 113 -11.537 7.521 -4.561 1.00 0.00 C ATOM 1780 NZ LYS A 113 -10.614 6.460 -5.052 1.00 0.00 N ATOM 0 H LYS A 113 -12.901 8.081 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.489 5.313 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.313 7.763 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.400 6.454 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -13.192 8.571 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -14.442 8.478 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.386 6.765 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.885 5.954 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.431 8.436 -5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.327 7.777 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.687 6.879 -5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.501 5.731 -4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.008 6.028 -5.912 1.00 0.00 H new ATOM 1794 N ASN A 114 -14.191 4.731 -9.328 1.00 0.00 N ATOM 1795 CA ASN A 114 -14.937 4.218 -10.515 1.00 0.00 C ATOM 1796 C ASN A 114 -15.930 3.132 -10.092 1.00 0.00 C ATOM 1797 O ASN A 114 -17.128 3.288 -10.226 1.00 0.00 O ATOM 1798 CB ASN A 114 -13.866 3.639 -11.438 1.00 0.00 C ATOM 1799 CG ASN A 114 -13.851 4.412 -12.759 1.00 0.00 C ATOM 1800 OD1 ASN A 114 -13.597 5.600 -12.778 1.00 0.00 O ATOM 1801 ND2 ASN A 114 -14.113 3.783 -13.871 1.00 0.00 N ATOM 0 H ASN A 114 -13.314 4.250 -9.127 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.517 5.000 -11.006 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.889 3.699 -10.959 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -14.065 2.584 -11.625 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.105 4.288 -14.757 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -14.326 2.786 -13.855 1.00 0.00 H new ATOM 1808 N ALA A 115 -15.440 2.030 -9.585 1.00 0.00 N ATOM 1809 CA ALA A 115 -16.351 0.926 -9.152 1.00 0.00 C ATOM 1810 C ALA A 115 -17.291 0.530 -10.300 1.00 0.00 C ATOM 1811 O ALA A 115 -18.413 0.992 -10.362 1.00 0.00 O ATOM 1812 CB ALA A 115 -17.148 1.501 -7.979 1.00 0.00 C ATOM 0 H ALA A 115 -14.446 1.846 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 115 -15.802 0.028 -8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -17.841 0.747 -7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -16.464 1.792 -7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -17.708 2.375 -8.313 1.00 0.00 H new ATOM 1818 N PRO A 116 -16.805 -0.317 -11.180 1.00 0.00 N ATOM 1819 CA PRO A 116 -17.621 -0.770 -12.332 1.00 0.00 C ATOM 1820 C PRO A 116 -18.887 -1.483 -11.847 1.00 0.00 C ATOM 1821 O PRO A 116 -19.959 -1.301 -12.391 1.00 0.00 O ATOM 1822 CB PRO A 116 -16.679 -1.741 -13.051 1.00 0.00 C ATOM 1823 CG PRO A 116 -15.347 -1.806 -12.278 1.00 0.00 C ATOM 1824 CD PRO A 116 -15.429 -0.861 -11.071 1.00 0.00 C ATOM 0 HA PRO A 116 -17.968 0.042 -12.971 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -17.130 -2.731 -13.109 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -16.505 -1.410 -14.075 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -15.153 -2.826 -11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -14.520 -1.519 -12.927 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -15.275 -1.390 -10.131 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -14.677 -0.074 -11.120 1.00 0.00 H new ATOM 1832 N SER A 117 -18.771 -2.294 -10.827 1.00 0.00 N ATOM 1833 CA SER A 117 -19.965 -3.024 -10.299 1.00 0.00 C ATOM 1834 C SER A 117 -20.683 -3.768 -11.430 1.00 0.00 C ATOM 1835 O SER A 117 -21.518 -3.213 -12.119 1.00 0.00 O ATOM 1836 CB SER A 117 -20.869 -1.940 -9.713 1.00 0.00 C ATOM 1837 OG SER A 117 -20.390 -1.576 -8.424 1.00 0.00 O ATOM 0 H SER A 117 -17.898 -2.483 -10.335 1.00 0.00 H new ATOM 0 HA SER A 117 -19.690 -3.772 -9.555 1.00 0.00 H new ATOM 0 HB2 SER A 117 -20.883 -1.069 -10.368 1.00 0.00 H new ATOM 0 HB3 SER A 117 -21.894 -2.303 -9.644 1.00 0.00 H new ATOM 0 HG SER A 117 -20.966 -0.880 -8.046 1.00 0.00 H new ATOM 1843 N THR A 118 -20.365 -5.020 -11.625 1.00 0.00 N ATOM 1844 CA THR A 118 -21.028 -5.802 -12.709 1.00 0.00 C ATOM 1845 C THR A 118 -21.613 -7.099 -12.144 1.00 0.00 C ATOM 1846 O THR A 118 -20.841 -8.002 -11.867 1.00 0.00 O ATOM 1847 CB THR A 118 -19.917 -6.107 -13.715 1.00 0.00 C ATOM 1848 OG1 THR A 118 -18.837 -6.742 -13.045 1.00 0.00 O ATOM 1849 CG2 THR A 118 -19.430 -4.805 -14.351 1.00 0.00 C ATOM 0 H THR A 118 -19.674 -5.535 -11.080 1.00 0.00 H new ATOM 0 HA THR A 118 -21.853 -5.256 -13.167 1.00 0.00 H new ATOM 0 HB THR A 118 -20.301 -6.766 -14.493 1.00 0.00 H new ATOM 0 HG1 THR A 118 -19.188 -7.385 -12.394 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.638 -5.024 -15.068 1.00 0.00 H new ATOM 0 HG22 THR A 118 -20.259 -4.318 -14.864 1.00 0.00 H new ATOM 0 HG23 THR A 118 -19.044 -4.143 -13.575 1.00 0.00 H new TER 1857 THR A 118