USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 942 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 83 CYS SG : rot 180:sc= -0.686 USER MOD Set 1.2: A 87 SER OG : rot 115:sc= 0.159 USER MOD Set 2.1: A 64 LYS NZ :NH3+ 142:sc= 0.355 (180deg=0) USER MOD Set 2.2: A 80 ASN :FLIP amide:sc= 0.166 F(o=-0.15,f=0.52) USER MOD Single : A 6 MET CE :methyl 180:sc= -1.23 (180deg=-1.23) USER MOD Single : A 8 MET CE :methyl -169:sc= -7.46! (180deg=-7.88!) USER MOD Single : A 15 GLN : amide:sc= -0.901 K(o=-0.9,f=-5.3!) USER MOD Single : A 17 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 20 THR OG1 : rot -25:sc= 0.372 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.214 F(o=-0.83,f=-0.21) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0.0931 (180deg=0.0312) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= -0.398 (180deg=-0.526) USER MOD Single : A 35 GLN : amide:sc= -10.2! C(o=-10!,f=-14!) USER MOD Single : A 39 MET CE :methyl -133:sc= -0.887 (180deg=-1.91!) USER MOD Single : A 40 HIS : no HD1:sc= -0.514 K(o=-0.51,f=-1.2) USER MOD Single : A 44 HIS : no HD1:sc=-0.00919 X(o=-0.0092,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.058 (180deg=-0.578) USER MOD Single : A 57 ASN : amide:sc= -13.8! C(o=-14!,f=-14!) USER MOD Single : A 61 HIS : no HD1:sc= -2.8 X(o=-2.8,f=-2.7!) USER MOD Single : A 62 THR OG1 : rot -57:sc= 0.0105 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -3.3! C(o=-5.3!,f=-3.3!) USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.99!,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 78 LYS NZ :NH3+ -128:sc= -0.546 (180deg=-1.7!) USER MOD Single : A 85 MET CE :methyl -179:sc= -10! (180deg=-10.1!) USER MOD Single : A 86 ASN : amide:sc= -2.97! C(o=-3!,f=-9.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 27:sc= 1.21 USER MOD Single : A 100 LYS NZ :NH3+ 160:sc=-0.00749 (180deg=-0.488) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.016) USER MOD Single : A 104 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.1!) USER MOD Single : A 109 TYR OH : rot 57:sc= 0.302 USER MOD Single : A 111 MET CE :methyl 163:sc= 0 (180deg=-0.293) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 105.333 10.366 -19.687 1.00 0.00 N ATOM 2 CA PRO A 2 105.302 10.528 -18.224 1.00 0.00 C ATOM 3 C PRO A 2 105.597 9.194 -17.533 1.00 0.00 C ATOM 4 O PRO A 2 106.627 9.020 -16.913 1.00 0.00 O ATOM 5 CB PRO A 2 103.866 10.980 -17.943 1.00 0.00 C ATOM 6 CG PRO A 2 103.018 10.511 -19.149 1.00 0.00 C ATOM 7 CD PRO A 2 103.998 10.287 -20.316 1.00 0.00 C ATOM 0 HA PRO A 2 106.046 11.234 -17.855 1.00 0.00 H new ATOM 0 HB2 PRO A 2 103.496 10.544 -17.015 1.00 0.00 H new ATOM 0 HB3 PRO A 2 103.815 12.063 -17.829 1.00 0.00 H new ATOM 0 HG2 PRO A 2 102.482 9.592 -18.912 1.00 0.00 H new ATOM 0 HG3 PRO A 2 102.269 11.259 -19.410 1.00 0.00 H new ATOM 0 HD2 PRO A 2 103.838 9.319 -20.791 1.00 0.00 H new ATOM 0 HD3 PRO A 2 103.876 11.045 -21.090 1.00 0.00 H new ATOM 17 N VAL A 3 104.699 8.252 -17.633 1.00 0.00 N ATOM 18 CA VAL A 3 104.930 6.932 -16.979 1.00 0.00 C ATOM 19 C VAL A 3 104.126 5.851 -17.704 1.00 0.00 C ATOM 20 O VAL A 3 103.289 6.139 -18.536 1.00 0.00 O ATOM 21 CB VAL A 3 104.485 7.005 -15.518 1.00 0.00 C ATOM 22 CG1 VAL A 3 105.454 7.891 -14.735 1.00 0.00 C ATOM 23 CG2 VAL A 3 103.077 7.600 -15.443 1.00 0.00 C ATOM 0 H VAL A 3 103.817 8.339 -18.138 1.00 0.00 H new ATOM 0 HA VAL A 3 105.991 6.685 -17.026 1.00 0.00 H new ATOM 0 HB VAL A 3 104.480 6.003 -15.089 1.00 0.00 H new ATOM 0 HG11 VAL A 3 105.138 7.944 -13.693 1.00 0.00 H new ATOM 0 HG12 VAL A 3 106.457 7.469 -14.789 1.00 0.00 H new ATOM 0 HG13 VAL A 3 105.459 8.893 -15.164 1.00 0.00 H new ATOM 0 HG21 VAL A 3 102.759 7.652 -14.402 1.00 0.00 H new ATOM 0 HG22 VAL A 3 103.082 8.602 -15.872 1.00 0.00 H new ATOM 0 HG23 VAL A 3 102.385 6.970 -16.002 1.00 0.00 H new ATOM 33 N GLU A 4 104.371 4.608 -17.391 1.00 0.00 N ATOM 34 CA GLU A 4 103.621 3.507 -18.058 1.00 0.00 C ATOM 35 C GLU A 4 102.171 3.510 -17.570 1.00 0.00 C ATOM 36 O GLU A 4 101.689 4.487 -17.034 1.00 0.00 O ATOM 37 CB GLU A 4 104.270 2.164 -17.712 1.00 0.00 C ATOM 38 CG GLU A 4 104.269 1.260 -18.946 1.00 0.00 C ATOM 39 CD GLU A 4 104.630 -0.168 -18.531 1.00 0.00 C ATOM 40 OE1 GLU A 4 104.002 -0.675 -17.617 1.00 0.00 O ATOM 41 OE2 GLU A 4 105.527 -0.730 -19.137 1.00 0.00 O ATOM 0 H GLU A 4 105.059 4.307 -16.701 1.00 0.00 H new ATOM 0 HA GLU A 4 103.643 3.655 -19.138 1.00 0.00 H new ATOM 0 HB2 GLU A 4 105.291 2.321 -17.365 1.00 0.00 H new ATOM 0 HB3 GLU A 4 103.726 1.685 -16.898 1.00 0.00 H new ATOM 0 HG2 GLU A 4 103.288 1.275 -19.421 1.00 0.00 H new ATOM 0 HG3 GLU A 4 104.985 1.629 -19.681 1.00 0.00 H new ATOM 48 N ARG A 5 101.471 2.422 -17.751 1.00 0.00 N ATOM 49 CA ARG A 5 100.053 2.363 -17.297 1.00 0.00 C ATOM 50 C ARG A 5 99.913 1.316 -16.191 1.00 0.00 C ATOM 51 O ARG A 5 99.248 0.313 -16.356 1.00 0.00 O ATOM 52 CB ARG A 5 99.154 1.979 -18.475 1.00 0.00 C ATOM 53 CG ARG A 5 99.434 2.906 -19.660 1.00 0.00 C ATOM 54 CD ARG A 5 98.410 4.042 -19.670 1.00 0.00 C ATOM 55 NE ARG A 5 97.885 4.226 -21.054 1.00 0.00 N ATOM 56 CZ ARG A 5 97.081 3.337 -21.574 1.00 0.00 C ATOM 57 NH1 ARG A 5 96.732 2.283 -20.886 1.00 0.00 N ATOM 58 NH2 ARG A 5 96.625 3.504 -22.785 1.00 0.00 N ATOM 0 H ARG A 5 101.821 1.572 -18.194 1.00 0.00 H new ATOM 0 HA ARG A 5 99.756 3.339 -16.914 1.00 0.00 H new ATOM 0 HB2 ARG A 5 99.335 0.943 -18.761 1.00 0.00 H new ATOM 0 HB3 ARG A 5 98.106 2.051 -18.184 1.00 0.00 H new ATOM 0 HG2 ARG A 5 100.443 3.312 -19.588 1.00 0.00 H new ATOM 0 HG3 ARG A 5 99.382 2.346 -20.594 1.00 0.00 H new ATOM 0 HD2 ARG A 5 97.592 3.815 -18.987 1.00 0.00 H new ATOM 0 HD3 ARG A 5 98.871 4.965 -19.319 1.00 0.00 H new ATOM 0 HE ARG A 5 98.154 5.047 -21.596 1.00 0.00 H new ATOM 0 HH11 ARG A 5 97.087 2.152 -19.939 1.00 0.00 H new ATOM 0 HH12 ARG A 5 96.104 1.591 -21.296 1.00 0.00 H new ATOM 0 HH21 ARG A 5 96.896 4.327 -23.323 1.00 0.00 H new ATOM 0 HH22 ARG A 5 95.997 2.812 -23.194 1.00 0.00 H new ATOM 72 N MET A 6 100.530 1.540 -15.063 1.00 0.00 N ATOM 73 CA MET A 6 100.427 0.553 -13.950 1.00 0.00 C ATOM 74 C MET A 6 98.956 0.358 -13.577 1.00 0.00 C ATOM 75 O MET A 6 98.207 1.307 -13.448 1.00 0.00 O ATOM 76 CB MET A 6 101.197 1.071 -12.734 1.00 0.00 C ATOM 77 CG MET A 6 102.633 0.545 -12.776 1.00 0.00 C ATOM 78 SD MET A 6 103.599 1.324 -11.459 1.00 0.00 S ATOM 79 CE MET A 6 103.173 0.154 -10.147 1.00 0.00 C ATOM 0 H MET A 6 101.100 2.362 -14.864 1.00 0.00 H new ATOM 0 HA MET A 6 100.851 -0.399 -14.269 1.00 0.00 H new ATOM 0 HB2 MET A 6 101.198 2.161 -12.728 1.00 0.00 H new ATOM 0 HB3 MET A 6 100.707 0.748 -11.816 1.00 0.00 H new ATOM 0 HG2 MET A 6 102.639 -0.538 -12.654 1.00 0.00 H new ATOM 0 HG3 MET A 6 103.082 0.759 -13.746 1.00 0.00 H new ATOM 0 HE1 MET A 6 103.670 0.447 -9.222 1.00 0.00 H new ATOM 0 HE2 MET A 6 102.094 0.155 -9.995 1.00 0.00 H new ATOM 0 HE3 MET A 6 103.498 -0.847 -10.432 1.00 0.00 H new ATOM 89 N ARG A 7 98.534 -0.865 -13.407 1.00 0.00 N ATOM 90 CA ARG A 7 97.110 -1.115 -13.048 1.00 0.00 C ATOM 91 C ARG A 7 96.933 -1.009 -11.531 1.00 0.00 C ATOM 92 O ARG A 7 97.890 -0.885 -10.787 1.00 0.00 O ATOM 93 CB ARG A 7 96.702 -2.514 -13.513 1.00 0.00 C ATOM 94 CG ARG A 7 95.431 -2.420 -14.361 1.00 0.00 C ATOM 95 CD ARG A 7 95.786 -1.900 -15.756 1.00 0.00 C ATOM 96 NE ARG A 7 94.734 -2.321 -16.723 1.00 0.00 N ATOM 97 CZ ARG A 7 94.611 -3.580 -17.049 1.00 0.00 C ATOM 98 NH1 ARG A 7 95.409 -4.473 -16.529 1.00 0.00 N ATOM 99 NH2 ARG A 7 93.688 -3.947 -17.895 1.00 0.00 N ATOM 0 H ARG A 7 99.112 -1.700 -13.501 1.00 0.00 H new ATOM 0 HA ARG A 7 96.481 -0.372 -13.537 1.00 0.00 H new ATOM 0 HB2 ARG A 7 97.507 -2.965 -14.094 1.00 0.00 H new ATOM 0 HB3 ARG A 7 96.530 -3.159 -12.652 1.00 0.00 H new ATOM 0 HG2 ARG A 7 94.958 -3.399 -14.436 1.00 0.00 H new ATOM 0 HG3 ARG A 7 94.712 -1.754 -13.885 1.00 0.00 H new ATOM 0 HD2 ARG A 7 95.868 -0.813 -15.741 1.00 0.00 H new ATOM 0 HD3 ARG A 7 96.756 -2.289 -16.065 1.00 0.00 H new ATOM 0 HE ARG A 7 94.109 -1.626 -17.131 1.00 0.00 H new ATOM 0 HH11 ARG A 7 96.130 -4.188 -15.867 1.00 0.00 H new ATOM 0 HH12 ARG A 7 95.311 -5.455 -16.785 1.00 0.00 H new ATOM 0 HH21 ARG A 7 93.063 -3.251 -18.301 1.00 0.00 H new ATOM 0 HH22 ARG A 7 93.592 -4.930 -18.150 1.00 0.00 H new ATOM 113 N MET A 8 95.716 -1.057 -11.067 1.00 0.00 N ATOM 114 CA MET A 8 95.472 -0.956 -9.603 1.00 0.00 C ATOM 115 C MET A 8 96.105 -2.156 -8.887 1.00 0.00 C ATOM 116 O MET A 8 96.735 -2.017 -7.860 1.00 0.00 O ATOM 117 CB MET A 8 93.965 -0.947 -9.338 1.00 0.00 C ATOM 118 CG MET A 8 93.692 -0.364 -7.950 1.00 0.00 C ATOM 119 SD MET A 8 94.211 -1.550 -6.685 1.00 0.00 S ATOM 120 CE MET A 8 93.286 -0.833 -5.308 1.00 0.00 C ATOM 0 H MET A 8 94.879 -1.162 -11.640 1.00 0.00 H new ATOM 0 HA MET A 8 95.917 -0.035 -9.227 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.455 -0.356 -10.099 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.568 -1.960 -9.403 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.231 0.575 -7.826 1.00 0.00 H new ATOM 0 HG3 MET A 8 92.631 -0.140 -7.840 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.610 -1.292 -4.374 1.00 0.00 H new ATOM 0 HE2 MET A 8 93.468 0.241 -5.267 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.221 -1.015 -5.451 1.00 0.00 H new ATOM 130 N ARG A 9 95.924 -3.335 -9.419 1.00 0.00 N ATOM 131 CA ARG A 9 96.494 -4.554 -8.770 1.00 0.00 C ATOM 132 C ARG A 9 97.991 -4.366 -8.477 1.00 0.00 C ATOM 133 O ARG A 9 98.414 -4.480 -7.340 1.00 0.00 O ATOM 134 CB ARG A 9 96.289 -5.756 -9.695 1.00 0.00 C ATOM 135 CG ARG A 9 94.997 -6.479 -9.310 1.00 0.00 C ATOM 136 CD ARG A 9 94.707 -7.586 -10.325 1.00 0.00 C ATOM 137 NE ARG A 9 94.767 -8.912 -9.645 1.00 0.00 N ATOM 138 CZ ARG A 9 94.333 -9.983 -10.254 1.00 0.00 C ATOM 139 NH1 ARG A 9 93.844 -9.900 -11.462 1.00 0.00 N ATOM 140 NH2 ARG A 9 94.389 -11.141 -9.654 1.00 0.00 N ATOM 0 H ARG A 9 95.404 -3.508 -10.279 1.00 0.00 H new ATOM 0 HA ARG A 9 95.982 -4.725 -7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 9 96.239 -5.426 -10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.137 -6.437 -9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 9 95.090 -6.903 -8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.168 -5.772 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 9 93.723 -7.438 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 9 95.433 -7.549 -11.137 1.00 0.00 H new ATOM 0 HE ARG A 9 95.148 -8.983 -8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 9 93.800 -8.997 -11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 9 93.506 -10.739 -11.934 1.00 0.00 H new ATOM 0 HH21 ARG A 9 94.771 -11.209 -8.711 1.00 0.00 H new ATOM 0 HH22 ARG A 9 94.050 -11.978 -10.128 1.00 0.00 H new ATOM 154 N PRO A 10 98.753 -4.086 -9.505 1.00 0.00 N ATOM 155 CA PRO A 10 100.208 -3.887 -9.376 1.00 0.00 C ATOM 156 C PRO A 10 100.518 -2.584 -8.637 1.00 0.00 C ATOM 157 O PRO A 10 101.573 -2.432 -8.054 1.00 0.00 O ATOM 158 CB PRO A 10 100.705 -3.853 -10.820 1.00 0.00 C ATOM 159 CG PRO A 10 99.482 -3.494 -11.683 1.00 0.00 C ATOM 160 CD PRO A 10 98.244 -3.927 -10.879 1.00 0.00 C ATOM 0 HA PRO A 10 100.694 -4.670 -8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.498 -3.116 -10.942 1.00 0.00 H new ATOM 0 HB3 PRO A 10 101.119 -4.818 -11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.455 -2.425 -11.893 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.520 -4.007 -12.644 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.453 -3.178 -10.928 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.825 -4.858 -11.260 1.00 0.00 H new ATOM 168 N TRP A 11 99.612 -1.647 -8.642 1.00 0.00 N ATOM 169 CA TRP A 11 99.870 -0.373 -7.917 1.00 0.00 C ATOM 170 C TRP A 11 99.917 -0.658 -6.410 1.00 0.00 C ATOM 171 O TRP A 11 100.861 -0.305 -5.726 1.00 0.00 O ATOM 172 CB TRP A 11 98.743 0.620 -8.217 1.00 0.00 C ATOM 173 CG TRP A 11 99.129 1.986 -7.744 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.706 2.943 -8.510 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.972 2.565 -6.417 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.912 4.070 -7.734 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.476 3.887 -6.440 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.446 2.078 -5.207 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.460 4.696 -5.306 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.429 2.891 -4.061 1.00 0.00 C ATOM 181 CH2 TRP A 11 98.934 4.197 -4.110 1.00 0.00 C ATOM 0 H TRP A 11 98.710 -1.707 -9.114 1.00 0.00 H new ATOM 0 HA TRP A 11 100.820 0.052 -8.241 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.540 0.640 -9.288 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.825 0.301 -7.724 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.963 2.843 -9.554 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.335 4.932 -8.078 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.053 1.073 -5.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 99.851 5.702 -5.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.024 2.507 -3.136 1.00 0.00 H new ATOM 0 HH2 TRP A 11 98.917 4.817 -3.226 1.00 0.00 H new ATOM 192 N LEU A 12 98.908 -1.308 -5.892 1.00 0.00 N ATOM 193 CA LEU A 12 98.883 -1.628 -4.439 1.00 0.00 C ATOM 194 C LEU A 12 99.935 -2.690 -4.137 1.00 0.00 C ATOM 195 O LEU A 12 100.563 -2.675 -3.100 1.00 0.00 O ATOM 196 CB LEU A 12 97.499 -2.155 -4.056 1.00 0.00 C ATOM 197 CG LEU A 12 97.103 -1.596 -2.690 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.486 -0.208 -2.867 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.081 -2.527 -2.031 1.00 0.00 C ATOM 0 H LEU A 12 98.097 -1.632 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 12 99.099 -0.728 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 12 96.766 -1.862 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.508 -3.245 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 12 97.988 -1.524 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.203 0.191 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 12 97.213 0.456 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 12 95.602 -0.281 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.800 -2.127 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.196 -2.601 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.519 -3.517 -1.904 1.00 0.00 H new ATOM 211 N GLU A 13 100.140 -3.613 -5.036 1.00 0.00 N ATOM 212 CA GLU A 13 101.164 -4.665 -4.792 1.00 0.00 C ATOM 213 C GLU A 13 102.535 -3.998 -4.639 1.00 0.00 C ATOM 214 O GLU A 13 103.336 -4.371 -3.800 1.00 0.00 O ATOM 215 CB GLU A 13 101.193 -5.625 -5.984 1.00 0.00 C ATOM 216 CG GLU A 13 101.425 -7.053 -5.490 1.00 0.00 C ATOM 217 CD GLU A 13 101.630 -7.978 -6.690 1.00 0.00 C ATOM 218 OE1 GLU A 13 101.562 -7.492 -7.807 1.00 0.00 O ATOM 219 OE2 GLU A 13 101.854 -9.158 -6.472 1.00 0.00 O ATOM 0 H GLU A 13 99.645 -3.684 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 13 100.921 -5.219 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.253 -5.568 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.984 -5.336 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 13 102.298 -7.087 -4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 13 100.572 -7.388 -4.900 1.00 0.00 H new ATOM 226 N GLU A 14 102.804 -3.009 -5.448 1.00 0.00 N ATOM 227 CA GLU A 14 104.114 -2.305 -5.372 1.00 0.00 C ATOM 228 C GLU A 14 104.177 -1.456 -4.100 1.00 0.00 C ATOM 229 O GLU A 14 105.190 -1.408 -3.434 1.00 0.00 O ATOM 230 CB GLU A 14 104.275 -1.403 -6.597 1.00 0.00 C ATOM 231 CG GLU A 14 104.575 -2.262 -7.826 1.00 0.00 C ATOM 232 CD GLU A 14 106.086 -2.463 -7.952 1.00 0.00 C ATOM 233 OE1 GLU A 14 106.806 -1.911 -7.136 1.00 0.00 O ATOM 234 OE2 GLU A 14 106.497 -3.165 -8.861 1.00 0.00 O ATOM 0 H GLU A 14 102.167 -2.657 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 14 104.918 -3.041 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.366 -0.824 -6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 14 105.082 -0.689 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 14 104.075 -3.227 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 14 104.185 -1.781 -8.723 1.00 0.00 H new ATOM 241 N GLN A 15 103.111 -0.782 -3.756 1.00 0.00 N ATOM 242 CA GLN A 15 103.134 0.060 -2.521 1.00 0.00 C ATOM 243 C GLN A 15 103.435 -0.823 -1.308 1.00 0.00 C ATOM 244 O GLN A 15 104.254 -0.494 -0.473 1.00 0.00 O ATOM 245 CB GLN A 15 101.774 0.730 -2.328 1.00 0.00 C ATOM 246 CG GLN A 15 101.506 1.688 -3.488 1.00 0.00 C ATOM 247 CD GLN A 15 102.553 2.802 -3.488 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.976 3.255 -2.442 1.00 0.00 O ATOM 249 NE2 GLN A 15 102.993 3.266 -4.625 1.00 0.00 N ATOM 0 H GLN A 15 102.231 -0.777 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 15 103.905 0.824 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 15 100.989 -0.025 -2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.755 1.273 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.537 1.147 -4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.507 2.114 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.638 2.886 -5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.692 4.009 -4.637 1.00 0.00 H new ATOM 258 N ILE A 16 102.771 -1.938 -1.207 1.00 0.00 N ATOM 259 CA ILE A 16 103.001 -2.850 -0.051 1.00 0.00 C ATOM 260 C ILE A 16 104.431 -3.393 -0.089 1.00 0.00 C ATOM 261 O ILE A 16 105.168 -3.288 0.872 1.00 0.00 O ATOM 262 CB ILE A 16 102.013 -4.015 -0.123 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.584 -3.467 -0.175 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.172 -4.897 1.117 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.709 -4.393 -1.021 1.00 0.00 C ATOM 0 H ILE A 16 102.074 -2.260 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 16 102.854 -2.297 0.877 1.00 0.00 H new ATOM 0 HB ILE A 16 102.212 -4.605 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.178 -3.387 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.584 -2.463 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.468 -5.727 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.189 -5.286 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 16 101.972 -4.307 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.693 -4.001 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.111 -4.450 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 16 99.699 -5.389 -0.578 1.00 0.00 H new ATOM 277 N ASN A 17 104.832 -3.979 -1.186 1.00 0.00 N ATOM 278 CA ASN A 17 106.215 -4.530 -1.267 1.00 0.00 C ATOM 279 C ASN A 17 107.231 -3.409 -1.035 1.00 0.00 C ATOM 280 O ASN A 17 108.347 -3.644 -0.615 1.00 0.00 O ATOM 281 CB ASN A 17 106.441 -5.144 -2.650 1.00 0.00 C ATOM 282 CG ASN A 17 107.223 -6.452 -2.504 1.00 0.00 C ATOM 283 OD1 ASN A 17 107.796 -6.717 -1.466 1.00 0.00 O ATOM 284 ND2 ASN A 17 107.272 -7.286 -3.506 1.00 0.00 N ATOM 0 H ASN A 17 104.265 -4.099 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 17 106.342 -5.297 -0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.484 -5.332 -3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 17 106.990 -4.448 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.791 -8.160 -3.417 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.791 -7.064 -4.378 1.00 0.00 H new ATOM 291 N SER A 18 106.856 -2.191 -1.312 1.00 0.00 N ATOM 292 CA SER A 18 107.798 -1.052 -1.114 1.00 0.00 C ATOM 293 C SER A 18 107.639 -0.484 0.299 1.00 0.00 C ATOM 294 O SER A 18 108.500 0.214 0.795 1.00 0.00 O ATOM 295 CB SER A 18 107.497 0.041 -2.139 1.00 0.00 C ATOM 296 OG SER A 18 108.719 0.599 -2.604 1.00 0.00 O ATOM 0 H SER A 18 105.935 -1.934 -1.668 1.00 0.00 H new ATOM 0 HA SER A 18 108.821 -1.406 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 18 106.932 -0.373 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 18 106.878 0.817 -1.689 1.00 0.00 H new ATOM 0 HG SER A 18 108.529 1.299 -3.263 1.00 0.00 H new ATOM 302 N ASN A 19 106.541 -0.769 0.947 1.00 0.00 N ATOM 303 CA ASN A 19 106.328 -0.236 2.324 1.00 0.00 C ATOM 304 C ASN A 19 106.279 1.293 2.275 1.00 0.00 C ATOM 305 O ASN A 19 107.237 1.964 2.604 1.00 0.00 O ATOM 306 CB ASN A 19 107.479 -0.680 3.232 1.00 0.00 C ATOM 307 CG ASN A 19 107.177 -2.067 3.804 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.678 -2.187 4.906 1.00 0.00 O ATOM 309 ND2 ASN A 19 107.464 -3.126 3.099 1.00 0.00 N ATOM 0 H ASN A 19 105.783 -1.347 0.583 1.00 0.00 H new ATOM 0 HA ASN A 19 105.387 -0.620 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.412 -0.703 2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 19 107.614 0.037 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 19 107.270 -4.055 3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 19 107.883 -3.025 2.174 1.00 0.00 H new ATOM 316 N THR A 20 105.170 1.849 1.865 1.00 0.00 N ATOM 317 CA THR A 20 105.063 3.335 1.794 1.00 0.00 C ATOM 318 C THR A 20 104.360 3.860 3.049 1.00 0.00 C ATOM 319 O THR A 20 104.308 5.051 3.290 1.00 0.00 O ATOM 320 CB THR A 20 104.255 3.731 0.553 1.00 0.00 C ATOM 321 OG1 THR A 20 104.163 5.147 0.481 1.00 0.00 O ATOM 322 CG2 THR A 20 102.852 3.131 0.640 1.00 0.00 C ATOM 0 H THR A 20 104.335 1.339 1.577 1.00 0.00 H new ATOM 0 HA THR A 20 106.062 3.767 1.731 1.00 0.00 H new ATOM 0 HB THR A 20 104.753 3.353 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.263 5.527 1.379 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.280 3.414 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 20 102.924 2.045 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 20 102.351 3.506 1.532 1.00 0.00 H new ATOM 330 N ILE A 21 103.820 2.985 3.854 1.00 0.00 N ATOM 331 CA ILE A 21 103.123 3.442 5.092 1.00 0.00 C ATOM 332 C ILE A 21 103.474 2.504 6.254 1.00 0.00 C ATOM 333 O ILE A 21 103.515 1.300 6.083 1.00 0.00 O ATOM 334 CB ILE A 21 101.610 3.420 4.868 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.303 3.742 3.404 1.00 0.00 C ATOM 336 CG2 ILE A 21 100.943 4.459 5.771 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.630 5.210 3.122 1.00 0.00 C ATOM 0 H ILE A 21 103.831 1.975 3.709 1.00 0.00 H new ATOM 0 HA ILE A 21 103.442 4.457 5.330 1.00 0.00 H new ATOM 0 HB ILE A 21 101.224 2.430 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 21 101.888 3.096 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.252 3.545 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 21 99.865 4.442 5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.158 4.226 6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.330 5.450 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.411 5.438 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.026 5.848 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.687 5.392 3.319 1.00 0.00 H new ATOM 349 N PRO A 22 103.706 3.083 7.407 1.00 0.00 N ATOM 350 CA PRO A 22 104.047 2.319 8.618 1.00 0.00 C ATOM 351 C PRO A 22 102.798 1.631 9.166 1.00 0.00 C ATOM 352 O PRO A 22 102.189 2.083 10.115 1.00 0.00 O ATOM 353 CB PRO A 22 104.568 3.384 9.586 1.00 0.00 C ATOM 354 CG PRO A 22 103.986 4.731 9.102 1.00 0.00 C ATOM 355 CD PRO A 22 103.635 4.545 7.613 1.00 0.00 C ATOM 0 HA PRO A 22 104.779 1.530 8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 22 104.253 3.169 10.607 1.00 0.00 H new ATOM 0 HB3 PRO A 22 105.658 3.409 9.587 1.00 0.00 H new ATOM 0 HG2 PRO A 22 103.101 5.001 9.679 1.00 0.00 H new ATOM 0 HG3 PRO A 22 104.709 5.536 9.233 1.00 0.00 H new ATOM 0 HD2 PRO A 22 102.642 4.932 7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 22 104.338 5.073 6.969 1.00 0.00 H new ATOM 363 N GLY A 23 102.410 0.543 8.563 1.00 0.00 N ATOM 364 CA GLY A 23 101.195 -0.180 9.030 1.00 0.00 C ATOM 365 C GLY A 23 100.613 -0.982 7.866 1.00 0.00 C ATOM 366 O GLY A 23 99.863 -1.918 8.058 1.00 0.00 O ATOM 0 H GLY A 23 102.884 0.122 7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.447 -0.845 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.457 0.529 9.405 1.00 0.00 H new ATOM 370 N LEU A 24 100.959 -0.627 6.657 1.00 0.00 N ATOM 371 CA LEU A 24 100.433 -1.371 5.485 1.00 0.00 C ATOM 372 C LEU A 24 101.578 -2.188 4.879 1.00 0.00 C ATOM 373 O LEU A 24 102.631 -1.662 4.579 1.00 0.00 O ATOM 374 CB LEU A 24 99.869 -0.357 4.464 1.00 0.00 C ATOM 375 CG LEU A 24 100.314 -0.705 3.040 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.645 -2.012 2.608 1.00 0.00 C ATOM 377 CD2 LEU A 24 99.914 0.419 2.080 1.00 0.00 C ATOM 0 H LEU A 24 101.584 0.148 6.434 1.00 0.00 H new ATOM 0 HA LEU A 24 99.631 -2.050 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.780 -0.350 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.207 0.647 4.719 1.00 0.00 H new ATOM 0 HG LEU A 24 101.397 -0.822 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.959 -2.264 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.937 -2.812 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.562 -1.892 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.233 0.165 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.831 0.545 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.392 1.349 2.389 1.00 0.00 H new ATOM 389 N LYS A 25 101.388 -3.464 4.686 1.00 0.00 N ATOM 390 CA LYS A 25 102.495 -4.272 4.084 1.00 0.00 C ATOM 391 C LYS A 25 102.085 -5.737 3.896 1.00 0.00 C ATOM 392 O LYS A 25 100.998 -6.146 4.249 1.00 0.00 O ATOM 393 CB LYS A 25 103.734 -4.196 4.979 1.00 0.00 C ATOM 394 CG LYS A 25 103.306 -4.175 6.440 1.00 0.00 C ATOM 395 CD LYS A 25 102.607 -5.489 6.771 1.00 0.00 C ATOM 396 CE LYS A 25 103.056 -5.973 8.151 1.00 0.00 C ATOM 397 NZ LYS A 25 104.261 -6.839 8.005 1.00 0.00 N ATOM 0 H LYS A 25 100.536 -3.977 4.912 1.00 0.00 H new ATOM 0 HA LYS A 25 102.719 -3.856 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.384 -5.051 4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.310 -3.301 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.174 -4.037 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.636 -3.335 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.526 -5.352 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.843 -6.239 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 25 103.283 -5.121 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 25 102.252 -6.529 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 104.567 -7.169 8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 104.029 -7.659 7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 105.028 -6.294 7.562 1.00 0.00 H new ATOM 411 N TRP A 26 102.962 -6.525 3.321 1.00 0.00 N ATOM 412 CA TRP A 26 102.657 -7.968 3.079 1.00 0.00 C ATOM 413 C TRP A 26 102.976 -8.798 4.322 1.00 0.00 C ATOM 414 O TRP A 26 104.118 -9.140 4.558 1.00 0.00 O ATOM 415 CB TRP A 26 103.540 -8.493 1.939 1.00 0.00 C ATOM 416 CG TRP A 26 103.078 -7.964 0.622 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.785 -7.124 -0.163 1.00 0.00 C ATOM 418 CD2 TRP A 26 101.839 -8.240 -0.086 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.051 -6.848 -1.302 1.00 0.00 N ATOM 420 CE2 TRP A 26 101.841 -7.516 -1.300 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.722 -9.037 0.209 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.769 -7.579 -2.192 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.641 -9.107 -0.684 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.664 -8.378 -1.882 1.00 0.00 C ATOM 0 H TRP A 26 103.885 -6.225 3.007 1.00 0.00 H new ATOM 0 HA TRP A 26 101.599 -8.054 2.830 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.576 -8.199 2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.516 -9.583 1.927 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.765 -6.731 0.062 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.363 -6.229 -2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.694 -9.601 1.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.793 -7.016 -3.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.788 -9.725 -0.447 1.00 0.00 H new ATOM 0 HH2 TRP A 26 98.829 -8.434 -2.565 1.00 0.00 H new ATOM 435 N LEU A 27 101.997 -9.176 5.096 1.00 0.00 N ATOM 436 CA LEU A 27 102.315 -10.032 6.270 1.00 0.00 C ATOM 437 C LEU A 27 103.027 -11.264 5.726 1.00 0.00 C ATOM 438 O LEU A 27 103.862 -11.866 6.369 1.00 0.00 O ATOM 439 CB LEU A 27 101.033 -10.474 6.985 1.00 0.00 C ATOM 440 CG LEU A 27 100.070 -9.296 7.187 1.00 0.00 C ATOM 441 CD1 LEU A 27 99.249 -9.550 8.453 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.850 -7.985 7.347 1.00 0.00 C ATOM 0 H LEU A 27 101.014 -8.936 4.971 1.00 0.00 H new ATOM 0 HA LEU A 27 102.928 -9.483 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.540 -11.253 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.285 -10.910 7.952 1.00 0.00 H new ATOM 0 HG LEU A 27 99.418 -9.210 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.559 -8.721 8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.685 -10.476 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.918 -9.634 9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.151 -7.161 7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.508 -8.056 8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.446 -7.805 6.452 1.00 0.00 H new ATOM 454 N ASN A 28 102.686 -11.624 4.519 1.00 0.00 N ATOM 455 CA ASN A 28 103.307 -12.797 3.861 1.00 0.00 C ATOM 456 C ASN A 28 103.090 -12.664 2.353 1.00 0.00 C ATOM 457 O ASN A 28 102.193 -13.262 1.788 1.00 0.00 O ATOM 458 CB ASN A 28 102.645 -14.081 4.365 1.00 0.00 C ATOM 459 CG ASN A 28 103.714 -15.017 4.938 1.00 0.00 C ATOM 460 OD1 ASN A 28 104.895 -15.057 4.382 1.00 0.00 O flip ATOM 461 ND2 ASN A 28 103.471 -15.717 5.901 1.00 0.00 N flip ATOM 0 H ASN A 28 101.988 -11.141 3.954 1.00 0.00 H new ATOM 0 HA ASN A 28 104.372 -12.839 4.089 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.905 -13.845 5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.115 -14.573 3.550 1.00 0.00 H new ATOM 0 HD21 ASN A 28 102.548 -15.685 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 28 104.190 -16.336 6.276 1.00 0.00 H new ATOM 468 N LYS A 29 103.892 -11.869 1.695 1.00 0.00 N ATOM 469 CA LYS A 29 103.717 -11.694 0.227 1.00 0.00 C ATOM 470 C LYS A 29 103.716 -13.075 -0.432 1.00 0.00 C ATOM 471 O LYS A 29 103.206 -13.254 -1.521 1.00 0.00 O ATOM 472 CB LYS A 29 104.858 -10.827 -0.328 1.00 0.00 C ATOM 473 CG LYS A 29 104.872 -10.887 -1.860 1.00 0.00 C ATOM 474 CD LYS A 29 103.840 -9.905 -2.419 1.00 0.00 C ATOM 475 CE LYS A 29 102.529 -10.642 -2.698 1.00 0.00 C ATOM 476 NZ LYS A 29 101.893 -10.080 -3.924 1.00 0.00 N ATOM 0 H LYS A 29 104.657 -11.336 2.110 1.00 0.00 H new ATOM 0 HA LYS A 29 102.773 -11.193 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.734 -9.795 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.813 -11.175 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 29 105.865 -10.640 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 29 104.647 -11.899 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 29 103.670 -9.096 -1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 29 104.215 -9.450 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.719 -11.707 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 29 101.855 -10.542 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 101.141 -10.720 -4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 101.485 -9.148 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 102.609 -9.979 -4.671 1.00 0.00 H new ATOM 490 N GLU A 30 104.266 -14.060 0.227 1.00 0.00 N ATOM 491 CA GLU A 30 104.276 -15.429 -0.357 1.00 0.00 C ATOM 492 C GLU A 30 102.848 -15.792 -0.770 1.00 0.00 C ATOM 493 O GLU A 30 102.541 -15.921 -1.939 1.00 0.00 O ATOM 494 CB GLU A 30 104.784 -16.428 0.689 1.00 0.00 C ATOM 495 CG GLU A 30 104.417 -17.852 0.264 1.00 0.00 C ATOM 496 CD GLU A 30 105.059 -18.163 -1.088 1.00 0.00 C ATOM 497 OE1 GLU A 30 104.459 -17.830 -2.097 1.00 0.00 O ATOM 498 OE2 GLU A 30 106.139 -18.728 -1.093 1.00 0.00 O ATOM 0 H GLU A 30 104.707 -13.974 1.143 1.00 0.00 H new ATOM 0 HA GLU A 30 104.933 -15.462 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 30 105.865 -16.338 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 30 104.346 -16.204 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 30 104.759 -18.566 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 30 103.334 -17.955 0.196 1.00 0.00 H new ATOM 505 N LYS A 31 101.969 -15.942 0.184 1.00 0.00 N ATOM 506 CA LYS A 31 100.558 -16.277 -0.150 1.00 0.00 C ATOM 507 C LYS A 31 99.819 -14.993 -0.544 1.00 0.00 C ATOM 508 O LYS A 31 98.627 -14.999 -0.776 1.00 0.00 O ATOM 509 CB LYS A 31 99.879 -16.909 1.068 1.00 0.00 C ATOM 510 CG LYS A 31 100.033 -18.429 1.008 1.00 0.00 C ATOM 511 CD LYS A 31 100.188 -18.983 2.426 1.00 0.00 C ATOM 512 CE LYS A 31 100.545 -20.469 2.359 1.00 0.00 C ATOM 513 NZ LYS A 31 99.307 -21.265 2.129 1.00 0.00 N ATOM 0 H LYS A 31 102.169 -15.847 1.180 1.00 0.00 H new ATOM 0 HA LYS A 31 100.533 -16.984 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.324 -16.524 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 31 98.823 -16.641 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 31 99.163 -18.874 0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 31 100.902 -18.694 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 31 100.966 -18.435 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 31 99.262 -18.846 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 31 101.260 -20.647 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 31 101.024 -20.781 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 99.548 -22.276 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 98.640 -21.103 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 98.868 -20.973 1.233 1.00 0.00 H new ATOM 527 N LYS A 32 100.528 -13.895 -0.622 1.00 0.00 N ATOM 528 CA LYS A 32 99.893 -12.601 -1.005 1.00 0.00 C ATOM 529 C LYS A 32 98.981 -12.098 0.117 1.00 0.00 C ATOM 530 O LYS A 32 97.815 -11.828 -0.092 1.00 0.00 O ATOM 531 CB LYS A 32 99.080 -12.780 -2.290 1.00 0.00 C ATOM 532 CG LYS A 32 99.990 -13.327 -3.390 1.00 0.00 C ATOM 533 CD LYS A 32 99.152 -14.082 -4.420 1.00 0.00 C ATOM 534 CE LYS A 32 98.343 -15.172 -3.718 1.00 0.00 C ATOM 535 NZ LYS A 32 97.924 -16.198 -4.714 1.00 0.00 N ATOM 0 H LYS A 32 101.529 -13.841 -0.434 1.00 0.00 H new ATOM 0 HA LYS A 32 100.679 -11.865 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.249 -13.463 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.650 -11.827 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.527 -12.510 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 32 100.740 -13.991 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 32 98.483 -13.393 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 32 99.799 -14.525 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 32 98.941 -15.635 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 32 97.467 -14.737 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 97.830 -17.121 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 97.010 -15.926 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 98.639 -16.264 -5.466 1.00 0.00 H new ATOM 549 N ILE A 33 99.509 -11.947 1.303 1.00 0.00 N ATOM 550 CA ILE A 33 98.671 -11.432 2.428 1.00 0.00 C ATOM 551 C ILE A 33 99.164 -10.039 2.810 1.00 0.00 C ATOM 552 O ILE A 33 100.298 -9.865 3.204 1.00 0.00 O ATOM 553 CB ILE A 33 98.786 -12.356 3.639 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.125 -13.699 3.321 1.00 0.00 C ATOM 555 CG2 ILE A 33 98.075 -11.706 4.828 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.170 -14.659 2.752 1.00 0.00 C ATOM 0 H ILE A 33 100.478 -12.156 1.542 1.00 0.00 H new ATOM 0 HA ILE A 33 97.628 -11.392 2.113 1.00 0.00 H new ATOM 0 HB ILE A 33 99.836 -12.520 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.681 -14.121 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.316 -13.558 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 33 98.151 -12.358 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.542 -10.747 5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 33 97.025 -11.550 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.700 -15.616 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.593 -14.237 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 33 99.963 -14.809 3.484 1.00 0.00 H new ATOM 568 N PHE A 34 98.334 -9.041 2.689 1.00 0.00 N ATOM 569 CA PHE A 34 98.789 -7.669 3.043 1.00 0.00 C ATOM 570 C PHE A 34 97.828 -7.040 4.052 1.00 0.00 C ATOM 571 O PHE A 34 96.636 -6.981 3.830 1.00 0.00 O ATOM 572 CB PHE A 34 98.853 -6.804 1.775 1.00 0.00 C ATOM 573 CG PHE A 34 97.463 -6.366 1.362 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.874 -5.248 1.966 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.768 -7.068 0.367 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.594 -4.834 1.578 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.489 -6.651 -0.022 1.00 0.00 C ATOM 578 CZ PHE A 34 94.901 -5.534 0.585 1.00 0.00 C ATOM 0 H PHE A 34 97.370 -9.114 2.364 1.00 0.00 H new ATOM 0 HA PHE A 34 99.781 -7.727 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.478 -5.929 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.319 -7.367 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.408 -4.705 2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.219 -7.931 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 34 95.141 -3.973 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 34 94.956 -7.191 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.914 -5.214 0.287 1.00 0.00 H new ATOM 588 N GLN A 35 98.341 -6.563 5.155 1.00 0.00 N ATOM 589 CA GLN A 35 97.461 -5.930 6.176 1.00 0.00 C ATOM 590 C GLN A 35 97.575 -4.410 6.059 1.00 0.00 C ATOM 591 O GLN A 35 98.641 -3.874 5.825 1.00 0.00 O ATOM 592 CB GLN A 35 97.874 -6.413 7.583 1.00 0.00 C ATOM 593 CG GLN A 35 98.737 -5.366 8.301 1.00 0.00 C ATOM 594 CD GLN A 35 99.306 -5.965 9.590 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.994 -7.085 9.943 1.00 0.00 O ATOM 596 NE2 GLN A 35 100.137 -5.263 10.310 1.00 0.00 N ATOM 0 H GLN A 35 99.333 -6.585 5.392 1.00 0.00 H new ATOM 0 HA GLN A 35 96.422 -6.215 6.010 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.982 -6.620 8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.427 -7.349 7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.549 -5.041 7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 35 98.140 -4.484 8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 35 100.399 -4.323 10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 35 100.524 -5.654 11.169 1.00 0.00 H new ATOM 605 N ILE A 36 96.486 -3.713 6.221 1.00 0.00 N ATOM 606 CA ILE A 36 96.539 -2.228 6.120 1.00 0.00 C ATOM 607 C ILE A 36 96.207 -1.630 7.493 1.00 0.00 C ATOM 608 O ILE A 36 95.406 -2.186 8.219 1.00 0.00 O ATOM 609 CB ILE A 36 95.501 -1.766 5.081 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.064 -1.959 3.673 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.153 -0.287 5.274 1.00 0.00 C ATOM 612 CD1 ILE A 36 94.946 -1.736 2.655 1.00 0.00 C ATOM 0 H ILE A 36 95.565 -4.105 6.418 1.00 0.00 H new ATOM 0 HA ILE A 36 97.531 -1.899 5.811 1.00 0.00 H new ATOM 0 HB ILE A 36 94.599 -2.363 5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 36 96.880 -1.259 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.476 -2.963 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.418 0.014 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.740 -0.138 6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.054 0.316 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.339 -1.872 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.145 -2.453 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.556 -0.724 2.759 1.00 0.00 H new ATOM 624 N PRO A 37 96.831 -0.515 7.802 1.00 0.00 N ATOM 625 CA PRO A 37 96.614 0.197 9.077 1.00 0.00 C ATOM 626 C PRO A 37 95.363 1.078 8.998 1.00 0.00 C ATOM 627 O PRO A 37 94.658 1.246 9.972 1.00 0.00 O ATOM 628 CB PRO A 37 97.858 1.058 9.222 1.00 0.00 C ATOM 629 CG PRO A 37 98.432 1.246 7.795 1.00 0.00 C ATOM 630 CD PRO A 37 97.826 0.128 6.923 1.00 0.00 C ATOM 0 HA PRO A 37 96.461 -0.479 9.918 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.613 2.020 9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.588 0.578 9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.173 2.228 7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.520 1.183 7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.361 0.532 6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.588 -0.581 6.598 1.00 0.00 H new ATOM 638 N TRP A 38 95.070 1.628 7.844 1.00 0.00 N ATOM 639 CA TRP A 38 93.848 2.477 7.712 1.00 0.00 C ATOM 640 C TRP A 38 94.031 3.780 8.505 1.00 0.00 C ATOM 641 O TRP A 38 95.004 4.486 8.328 1.00 0.00 O ATOM 642 CB TRP A 38 92.663 1.684 8.246 1.00 0.00 C ATOM 643 CG TRP A 38 92.687 0.350 7.592 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.406 -0.715 8.006 1.00 0.00 C ATOM 645 CD2 TRP A 38 91.983 -0.071 6.399 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.193 -1.759 7.126 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.310 -1.411 6.128 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.098 0.577 5.539 1.00 0.00 C ATOM 649 CZ2 TRP A 38 91.770 -2.082 5.035 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.551 -0.083 4.449 1.00 0.00 C ATOM 651 CH2 TRP A 38 90.882 -1.414 4.194 1.00 0.00 C ATOM 0 H TRP A 38 95.622 1.525 6.993 1.00 0.00 H new ATOM 0 HA TRP A 38 93.674 2.740 6.669 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.727 1.581 9.329 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.728 2.200 8.030 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.041 -0.746 8.879 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.635 -2.675 7.206 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.835 1.608 5.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.036 -3.110 4.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 89.866 0.436 3.795 1.00 0.00 H new ATOM 0 HH2 TRP A 38 90.451 -1.926 3.346 1.00 0.00 H new ATOM 662 N MET A 39 93.112 4.110 9.377 1.00 0.00 N ATOM 663 CA MET A 39 93.257 5.366 10.165 1.00 0.00 C ATOM 664 C MET A 39 93.756 5.031 11.574 1.00 0.00 C ATOM 665 O MET A 39 94.026 5.908 12.370 1.00 0.00 O ATOM 666 CB MET A 39 91.902 6.070 10.256 1.00 0.00 C ATOM 667 CG MET A 39 91.808 7.139 9.164 1.00 0.00 C ATOM 668 SD MET A 39 92.867 8.541 9.600 1.00 0.00 S ATOM 669 CE MET A 39 94.139 8.266 8.343 1.00 0.00 C ATOM 0 H MET A 39 92.273 3.565 9.575 1.00 0.00 H new ATOM 0 HA MET A 39 93.975 6.023 9.673 1.00 0.00 H new ATOM 0 HB2 MET A 39 91.095 5.346 10.141 1.00 0.00 H new ATOM 0 HB3 MET A 39 91.783 6.527 11.238 1.00 0.00 H new ATOM 0 HG2 MET A 39 92.115 6.722 8.205 1.00 0.00 H new ATOM 0 HG3 MET A 39 90.776 7.470 9.052 1.00 0.00 H new ATOM 0 HE1 MET A 39 95.125 8.335 8.802 1.00 0.00 H new ATOM 0 HE2 MET A 39 94.011 7.276 7.906 1.00 0.00 H new ATOM 0 HE3 MET A 39 94.048 9.021 7.562 1.00 0.00 H new ATOM 679 N HIS A 40 93.881 3.769 11.888 1.00 0.00 N ATOM 680 CA HIS A 40 94.363 3.383 13.244 1.00 0.00 C ATOM 681 C HIS A 40 95.852 3.711 13.369 1.00 0.00 C ATOM 682 O HIS A 40 96.424 3.645 14.439 1.00 0.00 O ATOM 683 CB HIS A 40 94.153 1.883 13.457 1.00 0.00 C ATOM 684 CG HIS A 40 93.536 1.660 14.809 1.00 0.00 C ATOM 685 ND1 HIS A 40 94.271 1.201 15.889 1.00 0.00 N ATOM 686 CD2 HIS A 40 92.257 1.837 15.272 1.00 0.00 C ATOM 687 CE1 HIS A 40 93.436 1.120 16.941 1.00 0.00 C ATOM 688 NE2 HIS A 40 92.196 1.496 16.619 1.00 0.00 N ATOM 0 H HIS A 40 93.670 2.990 11.264 1.00 0.00 H new ATOM 0 HA HIS A 40 93.803 3.937 13.997 1.00 0.00 H new ATOM 0 HB2 HIS A 40 93.507 1.479 12.678 1.00 0.00 H new ATOM 0 HB3 HIS A 40 95.105 1.356 13.386 1.00 0.00 H new ATOM 0 HD2 HIS A 40 91.424 2.188 14.681 1.00 0.00 H new ATOM 0 HE1 HIS A 40 93.733 0.791 17.926 1.00 0.00 H new ATOM 0 HE2 HIS A 40 91.380 1.527 17.230 1.00 0.00 H new ATOM 696 N ALA A 41 96.485 4.065 12.284 1.00 0.00 N ATOM 697 CA ALA A 41 97.935 4.396 12.343 1.00 0.00 C ATOM 698 C ALA A 41 98.106 5.870 12.712 1.00 0.00 C ATOM 699 O ALA A 41 99.185 6.314 13.053 1.00 0.00 O ATOM 700 CB ALA A 41 98.575 4.138 10.978 1.00 0.00 C ATOM 0 H ALA A 41 96.060 4.139 11.360 1.00 0.00 H new ATOM 0 HA ALA A 41 98.418 3.772 13.095 1.00 0.00 H new ATOM 0 HB1 ALA A 41 99.637 4.381 11.022 1.00 0.00 H new ATOM 0 HB2 ALA A 41 98.454 3.088 10.712 1.00 0.00 H new ATOM 0 HB3 ALA A 41 98.091 4.761 10.226 1.00 0.00 H new ATOM 706 N ALA A 42 97.049 6.633 12.646 1.00 0.00 N ATOM 707 CA ALA A 42 97.153 8.078 12.991 1.00 0.00 C ATOM 708 C ALA A 42 97.733 8.225 14.397 1.00 0.00 C ATOM 709 O ALA A 42 97.436 7.443 15.278 1.00 0.00 O ATOM 710 CB ALA A 42 95.759 8.719 12.957 1.00 0.00 C ATOM 0 H ALA A 42 96.119 6.318 12.368 1.00 0.00 H new ATOM 0 HA ALA A 42 97.802 8.573 12.269 1.00 0.00 H new ATOM 0 HB1 ALA A 42 95.838 9.776 13.210 1.00 0.00 H new ATOM 0 HB2 ALA A 42 95.335 8.616 11.958 1.00 0.00 H new ATOM 0 HB3 ALA A 42 95.112 8.221 13.679 1.00 0.00 H new ATOM 716 N ARG A 43 98.547 9.227 14.626 1.00 0.00 N ATOM 717 CA ARG A 43 99.115 9.411 15.992 1.00 0.00 C ATOM 718 C ARG A 43 97.975 9.250 16.992 1.00 0.00 C ATOM 719 O ARG A 43 98.142 8.728 18.076 1.00 0.00 O ATOM 720 CB ARG A 43 99.727 10.807 16.120 1.00 0.00 C ATOM 721 CG ARG A 43 101.088 10.704 16.810 1.00 0.00 C ATOM 722 CD ARG A 43 101.849 12.021 16.646 1.00 0.00 C ATOM 723 NE ARG A 43 102.683 12.267 17.855 1.00 0.00 N ATOM 724 CZ ARG A 43 102.114 12.515 19.004 1.00 0.00 C ATOM 725 NH1 ARG A 43 100.812 12.552 19.097 1.00 0.00 N ATOM 726 NH2 ARG A 43 102.848 12.726 20.062 1.00 0.00 N ATOM 0 H ARG A 43 98.838 9.916 13.933 1.00 0.00 H new ATOM 0 HA ARG A 43 99.898 8.677 16.182 1.00 0.00 H new ATOM 0 HB2 ARG A 43 99.840 11.258 15.134 1.00 0.00 H new ATOM 0 HB3 ARG A 43 99.064 11.455 16.693 1.00 0.00 H new ATOM 0 HG2 ARG A 43 100.954 10.479 17.868 1.00 0.00 H new ATOM 0 HG3 ARG A 43 101.664 9.884 16.380 1.00 0.00 H new ATOM 0 HD2 ARG A 43 102.480 11.981 15.758 1.00 0.00 H new ATOM 0 HD3 ARG A 43 101.148 12.843 16.502 1.00 0.00 H new ATOM 0 HE ARG A 43 103.700 12.242 17.786 1.00 0.00 H new ATOM 0 HH11 ARG A 43 100.237 12.387 18.271 1.00 0.00 H new ATOM 0 HH12 ARG A 43 100.370 12.746 19.996 1.00 0.00 H new ATOM 0 HH21 ARG A 43 103.865 12.697 19.991 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.405 12.920 20.960 1.00 0.00 H new ATOM 740 N HIS A 44 96.802 9.666 16.603 1.00 0.00 N ATOM 741 CA HIS A 44 95.617 9.516 17.483 1.00 0.00 C ATOM 742 C HIS A 44 94.777 8.365 16.934 1.00 0.00 C ATOM 743 O HIS A 44 94.417 7.446 17.643 1.00 0.00 O ATOM 744 CB HIS A 44 94.808 10.807 17.479 1.00 0.00 C ATOM 745 CG HIS A 44 95.259 11.648 18.633 1.00 0.00 C ATOM 746 ND1 HIS A 44 94.370 12.226 19.519 1.00 0.00 N ATOM 747 CD2 HIS A 44 96.511 11.987 19.080 1.00 0.00 C ATOM 748 CE1 HIS A 44 95.092 12.873 20.450 1.00 0.00 C ATOM 749 NE2 HIS A 44 96.403 12.762 20.228 1.00 0.00 N ATOM 0 H HIS A 44 96.615 10.108 15.703 1.00 0.00 H new ATOM 0 HA HIS A 44 95.920 9.307 18.509 1.00 0.00 H new ATOM 0 HB2 HIS A 44 94.951 11.342 16.540 1.00 0.00 H new ATOM 0 HB3 HIS A 44 93.743 10.588 17.562 1.00 0.00 H new ATOM 0 HD2 HIS A 44 97.439 11.696 18.611 1.00 0.00 H new ATOM 0 HE1 HIS A 44 94.663 13.417 21.278 1.00 0.00 H new ATOM 0 HE2 HIS A 44 97.162 13.160 20.781 1.00 0.00 H new ATOM 757 N GLY A 45 94.495 8.396 15.659 1.00 0.00 N ATOM 758 CA GLY A 45 93.715 7.289 15.037 1.00 0.00 C ATOM 759 C GLY A 45 92.571 7.828 14.165 1.00 0.00 C ATOM 760 O GLY A 45 91.573 7.162 13.991 1.00 0.00 O ATOM 0 H GLY A 45 94.772 9.142 15.021 1.00 0.00 H new ATOM 0 HA2 GLY A 45 94.377 6.672 14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 45 93.307 6.646 15.817 1.00 0.00 H new ATOM 764 N TRP A 46 92.679 9.011 13.609 1.00 0.00 N ATOM 765 CA TRP A 46 91.534 9.506 12.774 1.00 0.00 C ATOM 766 C TRP A 46 91.903 10.734 11.951 1.00 0.00 C ATOM 767 O TRP A 46 91.037 11.472 11.525 1.00 0.00 O ATOM 768 CB TRP A 46 90.370 9.894 13.677 1.00 0.00 C ATOM 769 CG TRP A 46 90.884 10.120 15.052 1.00 0.00 C ATOM 770 CD1 TRP A 46 91.420 11.269 15.509 1.00 0.00 C ATOM 771 CD2 TRP A 46 90.950 9.170 16.138 1.00 0.00 C ATOM 772 NE1 TRP A 46 91.812 11.081 16.819 1.00 0.00 N ATOM 773 CE2 TRP A 46 91.535 9.799 17.256 1.00 0.00 C ATOM 774 CE3 TRP A 46 90.553 7.835 16.251 1.00 0.00 C ATOM 775 CZ2 TRP A 46 91.721 9.118 18.460 1.00 0.00 C ATOM 776 CZ3 TRP A 46 90.735 7.139 17.457 1.00 0.00 C ATOM 777 CH2 TRP A 46 91.318 7.781 18.561 1.00 0.00 C ATOM 0 H TRP A 46 93.479 9.638 13.691 1.00 0.00 H new ATOM 0 HA TRP A 46 91.266 8.694 12.098 1.00 0.00 H new ATOM 0 HB2 TRP A 46 89.886 10.796 13.302 1.00 0.00 H new ATOM 0 HB3 TRP A 46 89.617 9.106 13.681 1.00 0.00 H new ATOM 0 HD1 TRP A 46 91.525 12.184 14.945 1.00 0.00 H new ATOM 0 HE1 TRP A 46 92.252 11.800 17.394 1.00 0.00 H new ATOM 0 HE3 TRP A 46 90.103 7.335 15.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 92.171 9.617 19.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 90.426 6.107 17.535 1.00 0.00 H new ATOM 0 HH2 TRP A 46 91.456 7.244 19.488 1.00 0.00 H new ATOM 788 N ASP A 47 93.156 10.959 11.721 1.00 0.00 N ATOM 789 CA ASP A 47 93.566 12.157 10.920 1.00 0.00 C ATOM 790 C ASP A 47 95.008 12.522 11.246 1.00 0.00 C ATOM 791 O ASP A 47 95.267 13.372 12.075 1.00 0.00 O ATOM 792 CB ASP A 47 92.673 13.353 11.272 1.00 0.00 C ATOM 793 CG ASP A 47 91.698 13.622 10.124 1.00 0.00 C ATOM 794 OD1 ASP A 47 91.485 12.720 9.331 1.00 0.00 O ATOM 795 OD2 ASP A 47 91.182 14.725 10.058 1.00 0.00 O ATOM 0 H ASP A 47 93.923 10.372 12.048 1.00 0.00 H new ATOM 0 HA ASP A 47 93.467 11.919 9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 47 92.122 13.150 12.190 1.00 0.00 H new ATOM 0 HB3 ASP A 47 93.286 14.235 11.456 1.00 0.00 H new ATOM 800 N VAL A 48 95.951 11.887 10.618 1.00 0.00 N ATOM 801 CA VAL A 48 97.368 12.205 10.915 1.00 0.00 C ATOM 802 C VAL A 48 98.225 11.923 9.680 1.00 0.00 C ATOM 803 O VAL A 48 99.336 11.440 9.774 1.00 0.00 O ATOM 804 CB VAL A 48 97.817 11.333 12.078 1.00 0.00 C ATOM 805 CG1 VAL A 48 99.237 11.709 12.489 1.00 0.00 C ATOM 806 CG2 VAL A 48 96.869 11.542 13.263 1.00 0.00 C ATOM 0 H VAL A 48 95.802 11.164 9.914 1.00 0.00 H new ATOM 0 HA VAL A 48 97.477 13.257 11.178 1.00 0.00 H new ATOM 0 HB VAL A 48 97.798 10.287 11.773 1.00 0.00 H new ATOM 0 HG11 VAL A 48 99.553 11.081 13.322 1.00 0.00 H new ATOM 0 HG12 VAL A 48 99.911 11.559 11.646 1.00 0.00 H new ATOM 0 HG13 VAL A 48 99.263 12.755 12.793 1.00 0.00 H new ATOM 0 HG21 VAL A 48 97.188 10.919 14.098 1.00 0.00 H new ATOM 0 HG22 VAL A 48 96.888 12.589 13.564 1.00 0.00 H new ATOM 0 HG23 VAL A 48 95.855 11.267 12.971 1.00 0.00 H new ATOM 816 N GLU A 49 97.712 12.234 8.524 1.00 0.00 N ATOM 817 CA GLU A 49 98.477 12.005 7.265 1.00 0.00 C ATOM 818 C GLU A 49 99.219 10.668 7.323 1.00 0.00 C ATOM 819 O GLU A 49 100.332 10.548 6.850 1.00 0.00 O ATOM 820 CB GLU A 49 99.490 13.131 7.072 1.00 0.00 C ATOM 821 CG GLU A 49 99.440 13.618 5.623 1.00 0.00 C ATOM 822 CD GLU A 49 99.421 15.146 5.598 1.00 0.00 C ATOM 823 OE1 GLU A 49 98.425 15.713 6.017 1.00 0.00 O ATOM 824 OE2 GLU A 49 100.402 15.724 5.162 1.00 0.00 O ATOM 0 H GLU A 49 96.786 12.641 8.395 1.00 0.00 H new ATOM 0 HA GLU A 49 97.776 11.986 6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 49 99.269 13.954 7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.493 12.778 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 49 100.304 13.246 5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 49 98.553 13.225 5.127 1.00 0.00 H new ATOM 831 N LYS A 50 98.616 9.657 7.882 1.00 0.00 N ATOM 832 CA LYS A 50 99.299 8.335 7.945 1.00 0.00 C ATOM 833 C LYS A 50 99.032 7.578 6.650 1.00 0.00 C ATOM 834 O LYS A 50 99.908 6.956 6.083 1.00 0.00 O ATOM 835 CB LYS A 50 98.747 7.521 9.110 1.00 0.00 C ATOM 836 CG LYS A 50 99.481 7.904 10.397 1.00 0.00 C ATOM 837 CD LYS A 50 100.908 7.349 10.356 1.00 0.00 C ATOM 838 CE LYS A 50 101.874 8.452 9.922 1.00 0.00 C ATOM 839 NZ LYS A 50 102.789 7.927 8.870 1.00 0.00 N ATOM 0 H LYS A 50 97.684 9.688 8.296 1.00 0.00 H new ATOM 0 HA LYS A 50 100.369 8.489 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 50 97.678 7.704 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 50 98.869 6.456 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 50 99.504 8.988 10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 50 98.950 7.508 11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.190 6.970 11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 50 100.963 6.510 9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 50 101.317 9.308 9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 50 102.450 8.803 10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 103.202 8.722 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 103.549 7.375 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 102.255 7.318 8.218 1.00 0.00 H new ATOM 853 N ASP A 51 97.820 7.629 6.180 1.00 0.00 N ATOM 854 CA ASP A 51 97.479 6.915 4.923 1.00 0.00 C ATOM 855 C ASP A 51 97.098 7.940 3.853 1.00 0.00 C ATOM 856 O ASP A 51 96.394 7.642 2.910 1.00 0.00 O ATOM 857 CB ASP A 51 96.299 5.972 5.172 1.00 0.00 C ATOM 858 CG ASP A 51 96.666 4.562 4.710 1.00 0.00 C ATOM 859 OD1 ASP A 51 97.591 3.997 5.272 1.00 0.00 O ATOM 860 OD2 ASP A 51 96.018 4.069 3.801 1.00 0.00 O ATOM 0 H ASP A 51 97.049 8.136 6.614 1.00 0.00 H new ATOM 0 HA ASP A 51 98.338 6.334 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 51 96.044 5.964 6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.419 6.324 4.635 1.00 0.00 H new ATOM 865 N ALA A 52 97.553 9.154 4.007 1.00 0.00 N ATOM 866 CA ALA A 52 97.216 10.216 3.019 1.00 0.00 C ATOM 867 C ALA A 52 98.241 10.335 1.860 1.00 0.00 C ATOM 868 O ALA A 52 97.918 10.948 0.863 1.00 0.00 O ATOM 869 CB ALA A 52 97.120 11.554 3.747 1.00 0.00 C ATOM 0 H ALA A 52 98.147 9.456 4.779 1.00 0.00 H new ATOM 0 HA ALA A 52 96.265 9.939 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 52 96.874 12.340 3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 52 96.342 11.499 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 52 98.076 11.780 4.220 1.00 0.00 H new ATOM 875 N PRO A 53 99.438 9.778 1.978 1.00 0.00 N ATOM 876 CA PRO A 53 100.431 9.885 0.890 1.00 0.00 C ATOM 877 C PRO A 53 100.021 8.998 -0.288 1.00 0.00 C ATOM 878 O PRO A 53 100.599 9.051 -1.355 1.00 0.00 O ATOM 879 CB PRO A 53 101.742 9.426 1.534 1.00 0.00 C ATOM 880 CG PRO A 53 101.351 8.579 2.762 1.00 0.00 C ATOM 881 CD PRO A 53 99.918 8.998 3.143 1.00 0.00 C ATOM 0 HA PRO A 53 100.520 10.891 0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.336 8.841 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.350 10.281 1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.395 7.515 2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.039 8.754 3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.286 8.129 3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 53 99.908 9.597 4.053 1.00 0.00 H new ATOM 889 N LEU A 54 99.003 8.205 -0.104 1.00 0.00 N ATOM 890 CA LEU A 54 98.514 7.331 -1.205 1.00 0.00 C ATOM 891 C LEU A 54 97.217 7.942 -1.698 1.00 0.00 C ATOM 892 O LEU A 54 97.074 8.344 -2.834 1.00 0.00 O ATOM 893 CB LEU A 54 98.184 5.936 -0.669 1.00 0.00 C ATOM 894 CG LEU A 54 99.433 5.188 -0.195 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.493 6.155 0.336 1.00 0.00 C ATOM 896 CD2 LEU A 54 99.008 4.245 0.928 1.00 0.00 C ATOM 0 H LEU A 54 98.484 8.125 0.771 1.00 0.00 H new ATOM 0 HA LEU A 54 99.271 7.251 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.479 6.024 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 54 97.690 5.357 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 54 99.868 4.643 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.367 5.592 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 54 100.783 6.847 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.085 6.716 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 54 99.877 3.695 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 54 98.579 4.824 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 54 98.265 3.542 0.551 1.00 0.00 H new ATOM 908 N PHE A 55 96.282 8.020 -0.802 1.00 0.00 N ATOM 909 CA PHE A 55 94.963 8.615 -1.103 1.00 0.00 C ATOM 910 C PHE A 55 95.145 9.808 -2.046 1.00 0.00 C ATOM 911 O PHE A 55 94.287 10.118 -2.845 1.00 0.00 O ATOM 912 CB PHE A 55 94.387 9.108 0.220 1.00 0.00 C ATOM 913 CG PHE A 55 93.313 8.178 0.715 1.00 0.00 C ATOM 914 CD1 PHE A 55 92.211 7.873 -0.089 1.00 0.00 C ATOM 915 CD2 PHE A 55 93.422 7.628 1.997 1.00 0.00 C ATOM 916 CE1 PHE A 55 91.218 7.011 0.391 1.00 0.00 C ATOM 917 CE2 PHE A 55 92.430 6.771 2.477 1.00 0.00 C ATOM 918 CZ PHE A 55 91.326 6.460 1.675 1.00 0.00 C ATOM 0 H PHE A 55 96.383 7.685 0.156 1.00 0.00 H new ATOM 0 HA PHE A 55 94.304 7.887 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.181 9.181 0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.976 10.110 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 55 92.126 8.301 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 55 94.274 7.867 2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 55 90.367 6.770 -0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 55 92.514 6.348 3.467 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.558 5.796 2.045 1.00 0.00 H new ATOM 928 N ARG A 56 96.259 10.485 -1.947 1.00 0.00 N ATOM 929 CA ARG A 56 96.500 11.662 -2.829 1.00 0.00 C ATOM 930 C ARG A 56 96.785 11.181 -4.252 1.00 0.00 C ATOM 931 O ARG A 56 96.180 11.634 -5.203 1.00 0.00 O ATOM 932 CB ARG A 56 97.702 12.451 -2.306 1.00 0.00 C ATOM 933 CG ARG A 56 97.676 13.865 -2.888 1.00 0.00 C ATOM 934 CD ARG A 56 98.971 14.122 -3.659 1.00 0.00 C ATOM 935 NE ARG A 56 100.122 14.098 -2.713 1.00 0.00 N ATOM 936 CZ ARG A 56 101.338 13.944 -3.163 1.00 0.00 C ATOM 937 NH1 ARG A 56 101.554 13.810 -4.444 1.00 0.00 N ATOM 938 NH2 ARG A 56 102.340 13.923 -2.329 1.00 0.00 N ATOM 0 H ARG A 56 97.012 10.273 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 56 95.618 12.303 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.676 12.494 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.629 11.949 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 56 96.817 13.982 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 56 97.565 14.597 -2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.104 13.364 -4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 56 98.921 15.086 -4.164 1.00 0.00 H new ATOM 0 HE ARG A 56 99.960 14.202 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 56 100.771 13.825 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.506 13.690 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.173 14.027 -1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.291 13.803 -2.677 1.00 0.00 H new ATOM 952 N ASN A 57 97.700 10.263 -4.405 1.00 0.00 N ATOM 953 CA ASN A 57 98.022 9.746 -5.766 1.00 0.00 C ATOM 954 C ASN A 57 96.718 9.494 -6.542 1.00 0.00 C ATOM 955 O ASN A 57 96.698 9.501 -7.755 1.00 0.00 O ATOM 956 CB ASN A 57 98.839 8.446 -5.634 1.00 0.00 C ATOM 957 CG ASN A 57 97.910 7.238 -5.495 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.246 6.856 -6.438 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.847 6.614 -4.353 1.00 0.00 N ATOM 0 H ASN A 57 98.239 9.848 -3.645 1.00 0.00 H new ATOM 0 HA ASN A 57 98.614 10.479 -6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.478 8.321 -6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.495 8.509 -4.766 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.239 5.802 -4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 57 98.406 6.938 -3.564 1.00 0.00 H new ATOM 966 N TRP A 58 95.632 9.270 -5.850 1.00 0.00 N ATOM 967 CA TRP A 58 94.331 9.014 -6.540 1.00 0.00 C ATOM 968 C TRP A 58 94.177 9.937 -7.758 1.00 0.00 C ATOM 969 O TRP A 58 94.590 9.613 -8.853 1.00 0.00 O ATOM 970 CB TRP A 58 93.177 9.278 -5.566 1.00 0.00 C ATOM 971 CG TRP A 58 92.662 7.985 -5.031 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.398 7.776 -4.595 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.367 6.726 -4.867 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.284 6.462 -4.178 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.471 5.776 -4.326 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.683 6.318 -5.133 1.00 0.00 C ATOM 977 CZ2 TRP A 58 92.867 4.470 -4.060 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.086 4.999 -4.865 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.179 4.077 -4.330 1.00 0.00 C ATOM 0 H TRP A 58 95.589 9.253 -4.831 1.00 0.00 H new ATOM 0 HA TRP A 58 94.312 7.977 -6.874 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.518 9.911 -4.747 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.377 9.817 -6.073 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.609 8.513 -4.576 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.427 6.051 -3.807 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.390 7.022 -5.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.163 3.763 -3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.101 4.695 -5.073 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.493 3.064 -4.127 1.00 0.00 H new ATOM 990 N ALA A 59 93.563 11.075 -7.571 1.00 0.00 N ATOM 991 CA ALA A 59 93.344 12.020 -8.705 1.00 0.00 C ATOM 992 C ALA A 59 94.576 12.098 -9.611 1.00 0.00 C ATOM 993 O ALA A 59 94.472 12.430 -10.775 1.00 0.00 O ATOM 994 CB ALA A 59 93.037 13.409 -8.144 1.00 0.00 C ATOM 0 H ALA A 59 93.200 11.393 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 59 92.507 11.657 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.876 14.106 -8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.140 13.362 -7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 59 93.876 13.751 -7.538 1.00 0.00 H new ATOM 1000 N ILE A 60 95.740 11.812 -9.100 1.00 0.00 N ATOM 1001 CA ILE A 60 96.953 11.895 -9.962 1.00 0.00 C ATOM 1002 C ILE A 60 97.189 10.556 -10.674 1.00 0.00 C ATOM 1003 O ILE A 60 96.767 10.363 -11.798 1.00 0.00 O ATOM 1004 CB ILE A 60 98.165 12.257 -9.100 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.874 13.556 -8.343 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.387 12.462 -9.994 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.376 14.615 -9.329 1.00 0.00 C ATOM 0 H ILE A 60 95.905 11.527 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 60 96.806 12.667 -10.718 1.00 0.00 H new ATOM 0 HB ILE A 60 98.362 11.451 -8.393 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.125 13.380 -7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 60 98.775 13.907 -7.839 1.00 0.00 H new ATOM 0 HG21 ILE A 60 100.249 12.720 -9.379 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.595 11.543 -10.543 1.00 0.00 H new ATOM 0 HG23 ILE A 60 99.190 13.269 -10.699 1.00 0.00 H new ATOM 0 HD11 ILE A 60 97.168 15.541 -8.794 1.00 0.00 H new ATOM 0 HD12 ILE A 60 98.140 14.797 -10.085 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.465 14.262 -9.812 1.00 0.00 H new ATOM 1019 N HIS A 61 97.864 9.635 -10.040 1.00 0.00 N ATOM 1020 CA HIS A 61 98.133 8.318 -10.689 1.00 0.00 C ATOM 1021 C HIS A 61 96.893 7.825 -11.445 1.00 0.00 C ATOM 1022 O HIS A 61 96.926 7.644 -12.645 1.00 0.00 O ATOM 1023 CB HIS A 61 98.511 7.291 -9.622 1.00 0.00 C ATOM 1024 CG HIS A 61 98.618 5.930 -10.255 1.00 0.00 C ATOM 1025 ND1 HIS A 61 99.753 5.519 -10.936 1.00 0.00 N ATOM 1026 CD2 HIS A 61 97.738 4.878 -10.324 1.00 0.00 C ATOM 1027 CE1 HIS A 61 99.528 4.270 -11.381 1.00 0.00 C ATOM 1028 NE2 HIS A 61 98.315 3.831 -11.035 1.00 0.00 N ATOM 0 H HIS A 61 98.242 9.738 -9.098 1.00 0.00 H new ATOM 0 HA HIS A 61 98.953 8.441 -11.397 1.00 0.00 H new ATOM 0 HB2 HIS A 61 99.459 7.564 -9.158 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.761 7.279 -8.831 1.00 0.00 H new ATOM 0 HD2 HIS A 61 96.748 4.866 -9.892 1.00 0.00 H new ATOM 0 HE1 HIS A 61 100.242 3.692 -11.949 1.00 0.00 H new ATOM 0 HE2 HIS A 61 97.901 2.923 -11.247 1.00 0.00 H new ATOM 1036 N THR A 62 95.807 7.592 -10.753 1.00 0.00 N ATOM 1037 CA THR A 62 94.575 7.094 -11.441 1.00 0.00 C ATOM 1038 C THR A 62 94.388 7.833 -12.769 1.00 0.00 C ATOM 1039 O THR A 62 94.160 7.226 -13.798 1.00 0.00 O ATOM 1040 CB THR A 62 93.350 7.324 -10.549 1.00 0.00 C ATOM 1041 OG1 THR A 62 93.126 8.718 -10.405 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.582 6.690 -9.173 1.00 0.00 C ATOM 0 H THR A 62 95.719 7.724 -9.745 1.00 0.00 H new ATOM 0 HA THR A 62 94.683 6.027 -11.634 1.00 0.00 H new ATOM 0 HB THR A 62 92.476 6.863 -11.009 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.931 9.143 -10.042 1.00 0.00 H new ATOM 0 HG21 THR A 62 92.708 6.857 -8.543 1.00 0.00 H new ATOM 0 HG22 THR A 62 93.747 5.619 -9.289 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.457 7.143 -8.707 1.00 0.00 H new ATOM 1050 N GLY A 63 94.489 9.135 -12.761 1.00 0.00 N ATOM 1051 CA GLY A 63 94.326 9.904 -14.030 1.00 0.00 C ATOM 1052 C GLY A 63 92.887 10.413 -14.155 1.00 0.00 C ATOM 1053 O GLY A 63 92.142 9.990 -15.016 1.00 0.00 O ATOM 0 H GLY A 63 94.677 9.699 -11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.020 10.744 -14.047 1.00 0.00 H new ATOM 0 HA3 GLY A 63 94.571 9.271 -14.882 1.00 0.00 H new ATOM 1057 N LYS A 64 92.493 11.321 -13.305 1.00 0.00 N ATOM 1058 CA LYS A 64 91.106 11.860 -13.379 1.00 0.00 C ATOM 1059 C LYS A 64 91.047 13.202 -12.647 1.00 0.00 C ATOM 1060 O LYS A 64 90.075 13.523 -11.992 1.00 0.00 O ATOM 1061 CB LYS A 64 90.142 10.873 -12.719 1.00 0.00 C ATOM 1062 CG LYS A 64 90.812 10.245 -11.495 1.00 0.00 C ATOM 1063 CD LYS A 64 89.779 10.068 -10.384 1.00 0.00 C ATOM 1064 CE LYS A 64 89.397 8.592 -10.274 1.00 0.00 C ATOM 1065 NZ LYS A 64 87.916 8.471 -10.164 1.00 0.00 N ATOM 0 H LYS A 64 93.072 11.713 -12.562 1.00 0.00 H new ATOM 0 HA LYS A 64 90.821 12.001 -14.422 1.00 0.00 H new ATOM 0 HB2 LYS A 64 89.227 11.385 -12.423 1.00 0.00 H new ATOM 0 HB3 LYS A 64 89.857 10.097 -13.429 1.00 0.00 H new ATOM 0 HG2 LYS A 64 91.246 9.281 -11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 64 91.629 10.878 -11.149 1.00 0.00 H new ATOM 0 HD2 LYS A 64 90.185 10.421 -9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 64 88.895 10.669 -10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 64 89.754 8.047 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 64 89.875 8.145 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 87.595 7.640 -10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 87.650 8.362 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 87.468 9.327 -10.550 1.00 0.00 H new ATOM 1079 N HIS A 65 92.086 13.986 -12.750 1.00 0.00 N ATOM 1080 CA HIS A 65 92.100 15.305 -12.058 1.00 0.00 C ATOM 1081 C HIS A 65 93.217 16.172 -12.648 1.00 0.00 C ATOM 1082 O HIS A 65 93.007 16.932 -13.572 1.00 0.00 O ATOM 1083 CB HIS A 65 92.346 15.082 -10.558 1.00 0.00 C ATOM 1084 CG HIS A 65 92.864 16.346 -9.922 1.00 0.00 C ATOM 1085 ND1 HIS A 65 94.034 16.627 -9.260 1.00 0.00 N flip ATOM 1086 CD2 HIS A 65 92.144 17.530 -9.937 1.00 0.00 C flip ATOM 1087 CE1 HIS A 65 94.043 17.962 -8.870 1.00 0.00 C flip ATOM 1088 NE2 HIS A 65 92.881 18.461 -9.302 1.00 0.00 N flip ATOM 0 H HIS A 65 92.927 13.769 -13.285 1.00 0.00 H new ATOM 0 HA HIS A 65 91.144 15.810 -12.196 1.00 0.00 H new ATOM 0 HB2 HIS A 65 91.420 14.775 -10.072 1.00 0.00 H new ATOM 0 HB3 HIS A 65 93.064 14.274 -10.416 1.00 0.00 H new ATOM 0 HD2 HIS A 65 91.169 17.679 -10.378 1.00 0.00 H new ATOM 0 HE1 HIS A 65 94.822 18.483 -8.333 1.00 0.00 H new ATOM 0 HE2 HIS A 65 92.588 19.429 -9.167 1.00 0.00 H new ATOM 1096 N GLN A 66 94.402 16.065 -12.113 1.00 0.00 N ATOM 1097 CA GLN A 66 95.536 16.881 -12.631 1.00 0.00 C ATOM 1098 C GLN A 66 95.390 18.323 -12.128 1.00 0.00 C ATOM 1099 O GLN A 66 94.307 18.871 -12.142 1.00 0.00 O ATOM 1100 CB GLN A 66 95.518 16.870 -14.161 1.00 0.00 C ATOM 1101 CG GLN A 66 96.892 16.444 -14.685 1.00 0.00 C ATOM 1102 CD GLN A 66 96.925 16.548 -16.215 1.00 0.00 C ATOM 1103 OE1 GLN A 66 95.825 16.802 -16.875 1.00 0.00 O flip ATOM 1104 NE2 GLN A 66 97.968 16.395 -16.818 1.00 0.00 N flip ATOM 0 H GLN A 66 94.634 15.445 -11.337 1.00 0.00 H new ATOM 0 HA GLN A 66 96.479 16.463 -12.279 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.751 16.184 -14.521 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.264 17.860 -14.539 1.00 0.00 H new ATOM 0 HG2 GLN A 66 97.667 17.076 -14.252 1.00 0.00 H new ATOM 0 HG3 GLN A 66 97.107 15.421 -14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 66 98.828 16.197 -16.307 1.00 0.00 H new ATOM 0 HE22 GLN A 66 97.984 16.465 -17.835 1.00 0.00 H new ATOM 1113 N PRO A 67 96.486 18.895 -11.695 1.00 0.00 N ATOM 1114 CA PRO A 67 96.507 20.274 -11.179 1.00 0.00 C ATOM 1115 C PRO A 67 96.495 21.276 -12.337 1.00 0.00 C ATOM 1116 O PRO A 67 97.313 21.212 -13.233 1.00 0.00 O ATOM 1117 CB PRO A 67 97.827 20.347 -10.406 1.00 0.00 C ATOM 1118 CG PRO A 67 98.733 19.235 -10.985 1.00 0.00 C ATOM 1119 CD PRO A 67 97.803 18.224 -11.680 1.00 0.00 C ATOM 0 HA PRO A 67 95.643 20.515 -10.560 1.00 0.00 H new ATOM 0 HB2 PRO A 67 98.291 21.326 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 67 97.661 20.197 -9.339 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.451 19.650 -11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.307 18.752 -10.194 1.00 0.00 H new ATOM 0 HD2 PRO A 67 98.146 17.996 -12.689 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.763 17.280 -11.136 1.00 0.00 H new ATOM 1127 N GLY A 68 95.575 22.201 -12.326 1.00 0.00 N ATOM 1128 CA GLY A 68 95.513 23.202 -13.428 1.00 0.00 C ATOM 1129 C GLY A 68 94.342 22.868 -14.355 1.00 0.00 C ATOM 1130 O GLY A 68 93.816 23.721 -15.041 1.00 0.00 O ATOM 0 H GLY A 68 94.864 22.307 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 68 95.391 24.204 -13.017 1.00 0.00 H new ATOM 0 HA3 GLY A 68 96.447 23.199 -13.989 1.00 0.00 H new ATOM 1134 N ILE A 69 93.931 21.630 -14.378 1.00 0.00 N ATOM 1135 CA ILE A 69 92.794 21.236 -15.257 1.00 0.00 C ATOM 1136 C ILE A 69 91.557 20.976 -14.394 1.00 0.00 C ATOM 1137 O ILE A 69 90.575 21.688 -14.469 1.00 0.00 O ATOM 1138 CB ILE A 69 93.168 19.968 -16.032 1.00 0.00 C ATOM 1139 CG1 ILE A 69 94.124 20.335 -17.170 1.00 0.00 C ATOM 1140 CG2 ILE A 69 91.908 19.326 -16.618 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.559 20.365 -16.642 1.00 0.00 C ATOM 0 H ILE A 69 94.334 20.873 -13.825 1.00 0.00 H new ATOM 0 HA ILE A 69 92.577 22.036 -15.965 1.00 0.00 H new ATOM 0 HB ILE A 69 93.650 19.262 -15.356 1.00 0.00 H new ATOM 0 HG12 ILE A 69 94.038 19.610 -17.979 1.00 0.00 H new ATOM 0 HG13 ILE A 69 93.857 21.307 -17.584 1.00 0.00 H new ATOM 0 HG21 ILE A 69 92.181 18.425 -17.168 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.223 19.065 -15.811 1.00 0.00 H new ATOM 0 HG23 ILE A 69 91.421 20.030 -17.293 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.239 20.626 -17.452 1.00 0.00 H new ATOM 0 HD12 ILE A 69 95.639 21.107 -15.848 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.823 19.383 -16.249 1.00 0.00 H new ATOM 1153 N ASP A 70 91.598 19.963 -13.571 1.00 0.00 N ATOM 1154 CA ASP A 70 90.426 19.661 -12.703 1.00 0.00 C ATOM 1155 C ASP A 70 90.690 20.192 -11.292 1.00 0.00 C ATOM 1156 O ASP A 70 91.819 20.412 -10.902 1.00 0.00 O ATOM 1157 CB ASP A 70 90.208 18.147 -12.645 1.00 0.00 C ATOM 1158 CG ASP A 70 89.419 17.694 -13.875 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.204 17.801 -13.847 1.00 0.00 O ATOM 1160 OD2 ASP A 70 90.044 17.248 -14.823 1.00 0.00 O ATOM 0 H ASP A 70 92.392 19.332 -13.463 1.00 0.00 H new ATOM 0 HA ASP A 70 89.537 20.139 -13.113 1.00 0.00 H new ATOM 0 HB2 ASP A 70 91.168 17.632 -12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 70 89.668 17.882 -11.736 1.00 0.00 H new ATOM 1165 N LYS A 71 89.656 20.396 -10.521 1.00 0.00 N ATOM 1166 CA LYS A 71 89.849 20.910 -9.135 1.00 0.00 C ATOM 1167 C LYS A 71 90.271 19.755 -8.220 1.00 0.00 C ATOM 1168 O LYS A 71 89.902 18.620 -8.449 1.00 0.00 O ATOM 1169 CB LYS A 71 88.537 21.513 -8.629 1.00 0.00 C ATOM 1170 CG LYS A 71 88.758 22.980 -8.255 1.00 0.00 C ATOM 1171 CD LYS A 71 87.440 23.746 -8.386 1.00 0.00 C ATOM 1172 CE LYS A 71 87.302 24.724 -7.216 1.00 0.00 C ATOM 1173 NZ LYS A 71 88.049 25.976 -7.524 1.00 0.00 N ATOM 0 H LYS A 71 88.687 20.229 -10.791 1.00 0.00 H new ATOM 0 HA LYS A 71 90.624 21.677 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 71 87.769 21.435 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.179 20.956 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 71 89.133 23.053 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 71 89.513 23.422 -8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 71 87.414 24.287 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 71 86.601 23.050 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.250 24.950 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 71 87.689 24.272 -6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.955 26.640 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 89.054 25.753 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 87.660 26.410 -8.385 1.00 0.00 H new ATOM 1187 N PRO A 72 91.035 20.082 -7.208 1.00 0.00 N ATOM 1188 CA PRO A 72 91.528 19.093 -6.235 1.00 0.00 C ATOM 1189 C PRO A 72 90.421 18.721 -5.247 1.00 0.00 C ATOM 1190 O PRO A 72 90.245 19.355 -4.226 1.00 0.00 O ATOM 1191 CB PRO A 72 92.675 19.824 -5.528 1.00 0.00 C ATOM 1192 CG PRO A 72 92.413 21.337 -5.725 1.00 0.00 C ATOM 1193 CD PRO A 72 91.474 21.467 -6.941 1.00 0.00 C ATOM 0 HA PRO A 72 91.848 18.158 -6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 72 92.704 19.569 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.638 19.538 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 72 91.957 21.770 -4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 72 93.347 21.873 -5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 72 90.628 22.118 -6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 72 91.991 21.894 -7.800 1.00 0.00 H new ATOM 1201 N ASP A 73 89.670 17.696 -5.546 1.00 0.00 N ATOM 1202 CA ASP A 73 88.570 17.282 -4.630 1.00 0.00 C ATOM 1203 C ASP A 73 88.958 15.979 -3.921 1.00 0.00 C ATOM 1204 O ASP A 73 88.918 14.920 -4.516 1.00 0.00 O ATOM 1205 CB ASP A 73 87.295 17.053 -5.444 1.00 0.00 C ATOM 1206 CG ASP A 73 86.117 17.742 -4.753 1.00 0.00 C ATOM 1207 OD1 ASP A 73 86.304 18.843 -4.263 1.00 0.00 O ATOM 1208 OD2 ASP A 73 85.047 17.155 -4.726 1.00 0.00 O ATOM 0 H ASP A 73 89.771 17.127 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 73 88.399 18.063 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.419 17.447 -6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 73 87.100 15.985 -5.541 1.00 0.00 H new ATOM 1213 N PRO A 74 89.321 16.092 -2.667 1.00 0.00 N ATOM 1214 CA PRO A 74 89.719 14.932 -1.852 1.00 0.00 C ATOM 1215 C PRO A 74 88.484 14.154 -1.392 1.00 0.00 C ATOM 1216 O PRO A 74 88.571 13.009 -0.995 1.00 0.00 O ATOM 1217 CB PRO A 74 90.445 15.561 -0.660 1.00 0.00 C ATOM 1218 CG PRO A 74 89.935 17.019 -0.561 1.00 0.00 C ATOM 1219 CD PRO A 74 89.369 17.382 -1.947 1.00 0.00 C ATOM 0 HA PRO A 74 90.341 14.220 -2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 74 90.234 15.012 0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.525 15.536 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 74 89.167 17.110 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 74 90.744 17.695 -0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 74 88.379 17.831 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.006 18.102 -2.461 1.00 0.00 H new ATOM 1227 N LYS A 75 87.332 14.768 -1.439 1.00 0.00 N ATOM 1228 CA LYS A 75 86.092 14.064 -1.003 1.00 0.00 C ATOM 1229 C LYS A 75 85.909 12.789 -1.831 1.00 0.00 C ATOM 1230 O LYS A 75 85.836 11.699 -1.301 1.00 0.00 O ATOM 1231 CB LYS A 75 84.886 14.984 -1.207 1.00 0.00 C ATOM 1232 CG LYS A 75 83.617 14.278 -0.726 1.00 0.00 C ATOM 1233 CD LYS A 75 82.830 15.209 0.199 1.00 0.00 C ATOM 1234 CE LYS A 75 83.487 15.234 1.581 1.00 0.00 C ATOM 1235 NZ LYS A 75 82.540 15.826 2.569 1.00 0.00 N ATOM 0 H LYS A 75 87.196 15.726 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 75 86.175 13.801 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.028 15.914 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.791 15.248 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 75 83.002 13.992 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 75 83.877 13.360 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 75 82.801 16.215 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 75 81.798 14.869 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 75 83.761 14.223 1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 75 84.407 15.817 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 82.985 15.844 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 82.300 16.796 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 81.674 15.252 2.607 1.00 0.00 H new ATOM 1249 N THR A 76 85.832 12.918 -3.127 1.00 0.00 N ATOM 1250 CA THR A 76 85.652 11.713 -3.986 1.00 0.00 C ATOM 1251 C THR A 76 86.960 10.921 -4.038 1.00 0.00 C ATOM 1252 O THR A 76 87.002 9.807 -4.522 1.00 0.00 O ATOM 1253 CB THR A 76 85.264 12.149 -5.401 1.00 0.00 C ATOM 1254 OG1 THR A 76 84.557 13.381 -5.338 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.376 11.081 -6.041 1.00 0.00 C ATOM 0 H THR A 76 85.886 13.805 -3.628 1.00 0.00 H new ATOM 0 HA THR A 76 84.864 11.085 -3.569 1.00 0.00 H new ATOM 0 HB THR A 76 86.164 12.276 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 76 84.309 13.663 -6.243 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.100 11.393 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 76 84.919 10.137 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.475 10.951 -5.442 1.00 0.00 H new ATOM 1263 N TRP A 77 88.027 11.486 -3.543 1.00 0.00 N ATOM 1264 CA TRP A 77 89.331 10.766 -3.563 1.00 0.00 C ATOM 1265 C TRP A 77 89.342 9.701 -2.465 1.00 0.00 C ATOM 1266 O TRP A 77 90.218 8.863 -2.409 1.00 0.00 O ATOM 1267 CB TRP A 77 90.467 11.760 -3.316 1.00 0.00 C ATOM 1268 CG TRP A 77 90.567 12.704 -4.469 1.00 0.00 C ATOM 1269 CD1 TRP A 77 89.870 12.598 -5.625 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.397 13.894 -4.599 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.222 13.648 -6.456 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.160 14.474 -5.868 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.325 14.519 -3.746 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 91.819 15.634 -6.276 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 92.990 15.687 -4.154 1.00 0.00 C ATOM 1276 CH2 TRP A 77 92.738 16.243 -5.416 1.00 0.00 C ATOM 0 H TRP A 77 88.052 12.416 -3.125 1.00 0.00 H new ATOM 0 HA TRP A 77 89.467 10.291 -4.534 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.285 12.313 -2.395 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.409 11.227 -3.187 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.157 11.822 -5.860 1.00 0.00 H new ATOM 0 HE1 TRP A 77 89.836 13.794 -7.389 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.527 14.098 -2.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 91.621 16.059 -7.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.700 16.160 -3.491 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.253 17.141 -5.724 1.00 0.00 H new ATOM 1287 N LYS A 78 88.377 9.731 -1.586 1.00 0.00 N ATOM 1288 CA LYS A 78 88.338 8.723 -0.490 1.00 0.00 C ATOM 1289 C LYS A 78 87.334 7.622 -0.836 1.00 0.00 C ATOM 1290 O LYS A 78 87.257 6.609 -0.170 1.00 0.00 O ATOM 1291 CB LYS A 78 87.920 9.401 0.816 1.00 0.00 C ATOM 1292 CG LYS A 78 87.965 8.379 1.955 1.00 0.00 C ATOM 1293 CD LYS A 78 88.507 9.046 3.222 1.00 0.00 C ATOM 1294 CE LYS A 78 90.004 9.310 3.060 1.00 0.00 C ATOM 1295 NZ LYS A 78 90.228 10.765 2.827 1.00 0.00 N ATOM 0 H LYS A 78 87.615 10.409 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 78 89.329 8.284 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.586 10.236 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 78 86.915 9.812 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 78 86.967 7.981 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 78 88.598 7.536 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 78 87.980 9.982 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 78 88.331 8.405 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 78 90.540 8.987 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.398 8.732 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 90.812 10.894 1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 89.313 11.240 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 90.716 11.177 3.648 1.00 0.00 H new ATOM 1309 N ALA A 79 86.561 7.811 -1.871 1.00 0.00 N ATOM 1310 CA ALA A 79 85.565 6.772 -2.253 1.00 0.00 C ATOM 1311 C ALA A 79 86.201 5.788 -3.236 1.00 0.00 C ATOM 1312 O ALA A 79 85.782 4.653 -3.354 1.00 0.00 O ATOM 1313 CB ALA A 79 84.355 7.439 -2.912 1.00 0.00 C ATOM 0 H ALA A 79 86.577 8.639 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 79 85.243 6.236 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.627 6.677 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.898 8.138 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.677 7.977 -3.804 1.00 0.00 H new ATOM 1319 N ASN A 80 87.208 6.214 -3.949 1.00 0.00 N ATOM 1320 CA ASN A 80 87.865 5.304 -4.928 1.00 0.00 C ATOM 1321 C ASN A 80 88.854 4.389 -4.200 1.00 0.00 C ATOM 1322 O ASN A 80 89.546 3.600 -4.810 1.00 0.00 O ATOM 1323 CB ASN A 80 88.611 6.137 -5.974 1.00 0.00 C ATOM 1324 CG ASN A 80 87.604 6.737 -6.957 1.00 0.00 C ATOM 1325 OD1 ASN A 80 87.595 8.026 -7.158 1.00 0.00 O flip ATOM 1326 ND2 ASN A 80 86.815 6.025 -7.547 1.00 0.00 N flip ATOM 0 H ASN A 80 87.604 7.153 -3.895 1.00 0.00 H new ATOM 0 HA ASN A 80 87.108 4.694 -5.420 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.177 6.931 -5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 80 89.329 5.514 -6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.822 5.017 -7.390 1.00 0.00 H new ATOM 0 HD22 ASN A 80 86.146 6.435 -8.199 1.00 0.00 H new ATOM 1333 N PHE A 81 88.925 4.484 -2.900 1.00 0.00 N ATOM 1334 CA PHE A 81 89.870 3.616 -2.142 1.00 0.00 C ATOM 1335 C PHE A 81 89.082 2.622 -1.284 1.00 0.00 C ATOM 1336 O PHE A 81 89.307 1.429 -1.340 1.00 0.00 O ATOM 1337 CB PHE A 81 90.754 4.483 -1.241 1.00 0.00 C ATOM 1338 CG PHE A 81 92.186 4.013 -1.345 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.467 2.649 -1.489 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.231 4.942 -1.302 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.795 2.215 -1.590 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.558 4.508 -1.402 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.841 3.145 -1.545 1.00 0.00 C ATOM 0 H PHE A 81 88.371 5.124 -2.331 1.00 0.00 H new ATOM 0 HA PHE A 81 90.497 3.068 -2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.680 5.529 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.413 4.420 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.660 1.932 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 81 93.014 5.994 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 81 94.012 1.163 -1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.364 5.226 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.865 2.811 -1.621 1.00 0.00 H new ATOM 1353 N ARG A 82 88.162 3.102 -0.493 1.00 0.00 N ATOM 1354 CA ARG A 82 87.361 2.181 0.363 1.00 0.00 C ATOM 1355 C ARG A 82 86.945 0.957 -0.454 1.00 0.00 C ATOM 1356 O ARG A 82 86.845 -0.140 0.059 1.00 0.00 O ATOM 1357 CB ARG A 82 86.112 2.909 0.864 1.00 0.00 C ATOM 1358 CG ARG A 82 85.280 3.376 -0.332 1.00 0.00 C ATOM 1359 CD ARG A 82 84.212 2.329 -0.652 1.00 0.00 C ATOM 1360 NE ARG A 82 83.392 2.789 -1.809 1.00 0.00 N ATOM 1361 CZ ARG A 82 82.467 3.697 -1.638 1.00 0.00 C ATOM 1362 NH1 ARG A 82 82.259 4.207 -0.455 1.00 0.00 N ATOM 1363 NH2 ARG A 82 81.745 4.090 -2.653 1.00 0.00 N ATOM 0 H ARG A 82 87.930 4.091 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 82 87.962 1.861 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.520 2.246 1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 82 86.398 3.763 1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 82 84.810 4.334 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.924 3.530 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 82 84.683 1.374 -0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 82 83.575 2.168 0.217 1.00 0.00 H new ATOM 0 HE ARG A 82 83.553 2.395 -2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 82 82.819 3.897 0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 82 81.537 4.915 -0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 82 81.903 3.689 -3.577 1.00 0.00 H new ATOM 0 HH22 ARG A 82 81.023 4.798 -2.521 1.00 0.00 H new ATOM 1377 N CYS A 83 86.703 1.135 -1.724 1.00 0.00 N ATOM 1378 CA CYS A 83 86.296 -0.020 -2.574 1.00 0.00 C ATOM 1379 C CYS A 83 87.521 -0.889 -2.870 1.00 0.00 C ATOM 1380 O CYS A 83 87.501 -2.089 -2.680 1.00 0.00 O ATOM 1381 CB CYS A 83 85.707 0.496 -3.889 1.00 0.00 C ATOM 1382 SG CYS A 83 85.259 -0.906 -4.941 1.00 0.00 S ATOM 0 H CYS A 83 86.769 2.030 -2.210 1.00 0.00 H new ATOM 0 HA CYS A 83 85.547 -0.612 -2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 83 84.829 1.110 -3.690 1.00 0.00 H new ATOM 0 HB3 CYS A 83 86.431 1.131 -4.400 1.00 0.00 H new ATOM 0 HG CYS A 83 84.757 -0.468 -6.057 1.00 0.00 H new ATOM 1388 N ALA A 84 88.586 -0.288 -3.331 1.00 0.00 N ATOM 1389 CA ALA A 84 89.822 -1.068 -3.640 1.00 0.00 C ATOM 1390 C ALA A 84 90.051 -2.117 -2.555 1.00 0.00 C ATOM 1391 O ALA A 84 90.525 -3.204 -2.818 1.00 0.00 O ATOM 1392 CB ALA A 84 91.018 -0.116 -3.690 1.00 0.00 C ATOM 0 H ALA A 84 88.654 0.714 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 84 89.708 -1.566 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.923 -0.680 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.855 0.633 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 84 91.130 0.379 -2.725 1.00 0.00 H new ATOM 1398 N MET A 85 89.707 -1.805 -1.340 1.00 0.00 N ATOM 1399 CA MET A 85 89.895 -2.788 -0.242 1.00 0.00 C ATOM 1400 C MET A 85 88.625 -3.635 -0.131 1.00 0.00 C ATOM 1401 O MET A 85 88.672 -4.823 0.113 1.00 0.00 O ATOM 1402 CB MET A 85 90.141 -2.047 1.075 1.00 0.00 C ATOM 1403 CG MET A 85 91.630 -2.111 1.447 1.00 0.00 C ATOM 1404 SD MET A 85 92.254 -0.441 1.741 1.00 0.00 S ATOM 1405 CE MET A 85 91.751 0.244 0.152 1.00 0.00 C ATOM 0 H MET A 85 89.303 -0.911 -1.060 1.00 0.00 H new ATOM 0 HA MET A 85 90.753 -3.427 -0.451 1.00 0.00 H new ATOM 0 HB2 MET A 85 89.826 -1.008 0.981 1.00 0.00 H new ATOM 0 HB3 MET A 85 89.540 -2.491 1.869 1.00 0.00 H new ATOM 0 HG2 MET A 85 91.766 -2.723 2.338 1.00 0.00 H new ATOM 0 HG3 MET A 85 92.195 -2.585 0.645 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.055 1.289 0.094 1.00 0.00 H new ATOM 0 HE2 MET A 85 92.226 -0.317 -0.653 1.00 0.00 H new ATOM 0 HE3 MET A 85 90.668 0.175 0.052 1.00 0.00 H new ATOM 1415 N ASN A 86 87.486 -3.029 -0.315 1.00 0.00 N ATOM 1416 CA ASN A 86 86.212 -3.795 -0.231 1.00 0.00 C ATOM 1417 C ASN A 86 85.848 -4.335 -1.618 1.00 0.00 C ATOM 1418 O ASN A 86 84.698 -4.608 -1.904 1.00 0.00 O ATOM 1419 CB ASN A 86 85.099 -2.873 0.270 1.00 0.00 C ATOM 1420 CG ASN A 86 85.599 -2.084 1.481 1.00 0.00 C ATOM 1421 OD1 ASN A 86 86.757 -2.166 1.838 1.00 0.00 O ATOM 1422 ND2 ASN A 86 84.770 -1.315 2.131 1.00 0.00 N ATOM 0 H ASN A 86 87.382 -2.035 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 86 86.331 -4.629 0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 86 84.794 -2.190 -0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 86 84.221 -3.459 0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 86 85.094 -0.783 2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 86 83.797 -1.246 1.832 1.00 0.00 H new ATOM 1429 N SER A 87 86.814 -4.488 -2.485 1.00 0.00 N ATOM 1430 CA SER A 87 86.512 -5.005 -3.852 1.00 0.00 C ATOM 1431 C SER A 87 87.256 -6.319 -4.088 1.00 0.00 C ATOM 1432 O SER A 87 87.428 -7.093 -3.176 1.00 0.00 O ATOM 1433 CB SER A 87 86.936 -3.969 -4.895 1.00 0.00 C ATOM 1434 OG SER A 87 86.064 -4.048 -6.016 1.00 0.00 O ATOM 0 H SER A 87 87.796 -4.278 -2.306 1.00 0.00 H new ATOM 0 HA SER A 87 85.441 -5.187 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 87 86.904 -2.968 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 87 87.965 -4.149 -5.206 1.00 0.00 H new ATOM 0 HG SER A 87 85.553 -3.215 -6.093 1.00 0.00 H new ATOM 1440 N LEU A 88 87.687 -6.562 -5.306 1.00 0.00 N ATOM 1441 CA LEU A 88 88.420 -7.829 -5.654 1.00 0.00 C ATOM 1442 C LEU A 88 87.932 -9.008 -4.781 1.00 0.00 C ATOM 1443 O LEU A 88 88.190 -9.058 -3.595 1.00 0.00 O ATOM 1444 CB LEU A 88 89.930 -7.629 -5.447 1.00 0.00 C ATOM 1445 CG LEU A 88 90.254 -6.144 -5.216 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.092 -5.792 -3.732 1.00 0.00 C ATOM 1447 CD2 LEU A 88 91.695 -5.871 -5.646 1.00 0.00 C ATOM 0 H LEU A 88 87.559 -5.923 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 88 88.218 -8.064 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.266 -8.217 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 88 90.473 -7.994 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 88 89.568 -5.533 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.324 -4.738 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.065 -5.986 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.772 -6.402 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 88 91.930 -4.819 -5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.373 -6.489 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 88 91.811 -6.110 -6.703 1.00 0.00 H new ATOM 1459 N PRO A 89 87.240 -9.938 -5.402 1.00 0.00 N ATOM 1460 CA PRO A 89 86.685 -11.123 -4.706 1.00 0.00 C ATOM 1461 C PRO A 89 87.767 -12.136 -4.294 1.00 0.00 C ATOM 1462 O PRO A 89 87.491 -13.307 -4.127 1.00 0.00 O ATOM 1463 CB PRO A 89 85.725 -11.730 -5.735 1.00 0.00 C ATOM 1464 CG PRO A 89 86.181 -11.211 -7.117 1.00 0.00 C ATOM 1465 CD PRO A 89 86.963 -9.910 -6.855 1.00 0.00 C ATOM 0 HA PRO A 89 86.200 -10.849 -3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 89 85.756 -12.819 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 89 84.697 -11.433 -5.529 1.00 0.00 H new ATOM 0 HG2 PRO A 89 86.808 -11.947 -7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 89 85.324 -11.026 -7.765 1.00 0.00 H new ATOM 0 HD2 PRO A 89 87.885 -9.876 -7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 89 86.379 -9.032 -7.132 1.00 0.00 H new ATOM 1473 N ASP A 90 88.982 -11.703 -4.101 1.00 0.00 N ATOM 1474 CA ASP A 90 90.048 -12.645 -3.672 1.00 0.00 C ATOM 1475 C ASP A 90 90.717 -12.088 -2.411 1.00 0.00 C ATOM 1476 O ASP A 90 91.618 -12.687 -1.859 1.00 0.00 O ATOM 1477 CB ASP A 90 91.087 -12.785 -4.785 1.00 0.00 C ATOM 1478 CG ASP A 90 91.715 -11.419 -5.073 1.00 0.00 C ATOM 1479 OD1 ASP A 90 92.485 -10.957 -4.246 1.00 0.00 O ATOM 1480 OD2 ASP A 90 91.414 -10.860 -6.115 1.00 0.00 O ATOM 0 H ASP A 90 89.281 -10.735 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 90 89.617 -13.624 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 90 91.858 -13.496 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 90 90.618 -13.179 -5.687 1.00 0.00 H new ATOM 1485 N ILE A 91 90.283 -10.937 -1.955 1.00 0.00 N ATOM 1486 CA ILE A 91 90.894 -10.329 -0.740 1.00 0.00 C ATOM 1487 C ILE A 91 89.932 -10.481 0.446 1.00 0.00 C ATOM 1488 O ILE A 91 88.733 -10.338 0.310 1.00 0.00 O ATOM 1489 CB ILE A 91 91.220 -8.832 -1.013 1.00 0.00 C ATOM 1490 CG1 ILE A 91 90.545 -7.900 0.011 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.746 -8.431 -2.410 1.00 0.00 C ATOM 1492 CD1 ILE A 91 90.565 -6.458 -0.518 1.00 0.00 C ATOM 0 H ILE A 91 89.529 -10.394 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 91 91.825 -10.840 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 91 92.302 -8.725 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.518 -8.220 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 91 91.065 -7.955 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.981 -7.381 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.250 -9.046 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.669 -8.579 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 91 90.087 -5.798 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 91 91.597 -6.141 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 91 90.025 -6.410 -1.464 1.00 0.00 H new ATOM 1504 N GLU A 92 90.456 -10.759 1.608 1.00 0.00 N ATOM 1505 CA GLU A 92 89.577 -10.911 2.804 1.00 0.00 C ATOM 1506 C GLU A 92 90.060 -9.968 3.906 1.00 0.00 C ATOM 1507 O GLU A 92 91.150 -10.104 4.421 1.00 0.00 O ATOM 1508 CB GLU A 92 89.627 -12.357 3.301 1.00 0.00 C ATOM 1509 CG GLU A 92 88.515 -13.166 2.629 1.00 0.00 C ATOM 1510 CD GLU A 92 87.651 -13.833 3.701 1.00 0.00 C ATOM 1511 OE1 GLU A 92 86.989 -13.116 4.434 1.00 0.00 O ATOM 1512 OE2 GLU A 92 87.665 -15.052 3.771 1.00 0.00 O ATOM 0 H GLU A 92 91.453 -10.887 1.782 1.00 0.00 H new ATOM 0 HA GLU A 92 88.550 -10.663 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.598 -12.797 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 92 89.508 -12.385 4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 92 87.902 -12.514 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 92 88.946 -13.921 1.972 1.00 0.00 H new ATOM 1519 N GLU A 93 89.259 -9.001 4.256 1.00 0.00 N ATOM 1520 CA GLU A 93 89.674 -8.029 5.303 1.00 0.00 C ATOM 1521 C GLU A 93 89.501 -8.617 6.703 1.00 0.00 C ATOM 1522 O GLU A 93 88.476 -9.179 7.036 1.00 0.00 O ATOM 1523 CB GLU A 93 88.825 -6.765 5.180 1.00 0.00 C ATOM 1524 CG GLU A 93 87.362 -7.094 5.480 1.00 0.00 C ATOM 1525 CD GLU A 93 86.998 -6.585 6.876 1.00 0.00 C ATOM 1526 OE1 GLU A 93 87.097 -5.388 7.093 1.00 0.00 O ATOM 1527 OE2 GLU A 93 86.628 -7.401 7.704 1.00 0.00 O ATOM 0 H GLU A 93 88.332 -8.842 3.860 1.00 0.00 H new ATOM 0 HA GLU A 93 90.728 -7.795 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 93 89.186 -6.004 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.916 -6.351 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.715 -6.634 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.201 -8.170 5.421 1.00 0.00 H new ATOM 1534 N VAL A 94 90.502 -8.469 7.531 1.00 0.00 N ATOM 1535 CA VAL A 94 90.414 -8.992 8.922 1.00 0.00 C ATOM 1536 C VAL A 94 90.604 -7.831 9.905 1.00 0.00 C ATOM 1537 O VAL A 94 91.714 -7.468 10.243 1.00 0.00 O ATOM 1538 CB VAL A 94 91.514 -10.032 9.144 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.378 -10.633 10.544 1.00 0.00 C ATOM 1540 CG2 VAL A 94 91.381 -11.143 8.100 1.00 0.00 C ATOM 0 H VAL A 94 91.381 -8.005 7.300 1.00 0.00 H new ATOM 0 HA VAL A 94 89.440 -9.455 9.082 1.00 0.00 H new ATOM 0 HB VAL A 94 92.489 -9.554 9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.163 -11.373 10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.471 -9.843 11.290 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.403 -11.111 10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 94 92.164 -11.885 8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 94 90.405 -11.619 8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 94 91.479 -10.717 7.101 1.00 0.00 H new ATOM 1550 N LYS A 95 89.529 -7.239 10.358 1.00 0.00 N ATOM 1551 CA LYS A 95 89.645 -6.095 11.311 1.00 0.00 C ATOM 1552 C LYS A 95 89.699 -6.611 12.748 1.00 0.00 C ATOM 1553 O LYS A 95 89.300 -5.940 13.678 1.00 0.00 O ATOM 1554 CB LYS A 95 88.428 -5.186 11.156 1.00 0.00 C ATOM 1555 CG LYS A 95 87.181 -5.951 11.599 1.00 0.00 C ATOM 1556 CD LYS A 95 86.019 -4.977 11.800 1.00 0.00 C ATOM 1557 CE LYS A 95 85.492 -5.102 13.231 1.00 0.00 C ATOM 1558 NZ LYS A 95 84.231 -4.318 13.370 1.00 0.00 N ATOM 0 H LYS A 95 88.575 -7.499 10.109 1.00 0.00 H new ATOM 0 HA LYS A 95 90.558 -5.542 11.092 1.00 0.00 H new ATOM 0 HB2 LYS A 95 88.551 -4.285 11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 95 88.326 -4.866 10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 95 86.916 -6.698 10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.383 -6.487 12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 95 86.349 -3.956 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 95 85.223 -5.192 11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 95 85.309 -6.149 13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 95 86.238 -4.738 13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 83.874 -4.404 14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 84.419 -3.317 13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 83.519 -4.685 12.707 1.00 0.00 H new ATOM 1572 N ASP A 96 90.194 -7.793 12.930 1.00 0.00 N ATOM 1573 CA ASP A 96 90.286 -8.366 14.302 1.00 0.00 C ATOM 1574 C ASP A 96 88.889 -8.457 14.917 1.00 0.00 C ATOM 1575 O ASP A 96 87.890 -8.385 14.227 1.00 0.00 O ATOM 1576 CB ASP A 96 91.163 -7.461 15.167 1.00 0.00 C ATOM 1577 CG ASP A 96 92.471 -7.161 14.433 1.00 0.00 C ATOM 1578 OD1 ASP A 96 92.844 -7.950 13.581 1.00 0.00 O ATOM 1579 OD2 ASP A 96 93.078 -6.147 14.736 1.00 0.00 O ATOM 0 H ASP A 96 90.543 -8.396 12.185 1.00 0.00 H new ATOM 0 HA ASP A 96 90.723 -9.363 14.251 1.00 0.00 H new ATOM 0 HB2 ASP A 96 90.637 -6.532 15.389 1.00 0.00 H new ATOM 0 HB3 ASP A 96 91.372 -7.944 16.121 1.00 0.00 H new ATOM 1584 N ARG A 97 88.809 -8.618 16.211 1.00 0.00 N ATOM 1585 CA ARG A 97 87.475 -8.717 16.867 1.00 0.00 C ATOM 1586 C ARG A 97 87.609 -8.398 18.359 1.00 0.00 C ATOM 1587 O ARG A 97 86.872 -7.597 18.900 1.00 0.00 O ATOM 1588 CB ARG A 97 86.929 -10.136 16.696 1.00 0.00 C ATOM 1589 CG ARG A 97 85.402 -10.091 16.648 1.00 0.00 C ATOM 1590 CD ARG A 97 84.950 -9.452 15.335 1.00 0.00 C ATOM 1591 NE ARG A 97 83.517 -9.775 15.092 1.00 0.00 N ATOM 1592 CZ ARG A 97 82.842 -9.120 14.185 1.00 0.00 C ATOM 1593 NH1 ARG A 97 83.421 -8.180 13.486 1.00 0.00 N ATOM 1594 NH2 ARG A 97 81.585 -9.404 13.977 1.00 0.00 N ATOM 0 H ARG A 97 89.609 -8.685 16.840 1.00 0.00 H new ATOM 0 HA ARG A 97 86.791 -8.004 16.406 1.00 0.00 H new ATOM 0 HB2 ARG A 97 87.320 -10.580 15.780 1.00 0.00 H new ATOM 0 HB3 ARG A 97 87.259 -10.766 17.522 1.00 0.00 H new ATOM 0 HG2 ARG A 97 84.995 -11.099 16.733 1.00 0.00 H new ATOM 0 HG3 ARG A 97 85.018 -9.520 17.493 1.00 0.00 H new ATOM 0 HD2 ARG A 97 85.088 -8.372 15.378 1.00 0.00 H new ATOM 0 HD3 ARG A 97 85.561 -9.819 14.510 1.00 0.00 H new ATOM 0 HE ARG A 97 83.061 -10.509 15.635 1.00 0.00 H new ATOM 0 HH11 ARG A 97 84.403 -7.956 13.648 1.00 0.00 H new ATOM 0 HH12 ARG A 97 82.891 -7.671 12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 97 81.131 -10.137 14.522 1.00 0.00 H new ATOM 0 HH22 ARG A 97 81.057 -8.893 13.269 1.00 0.00 H new ATOM 1608 N SER A 98 88.540 -9.021 19.030 1.00 0.00 N ATOM 1609 CA SER A 98 88.716 -8.756 20.488 1.00 0.00 C ATOM 1610 C SER A 98 90.068 -9.300 20.946 1.00 0.00 C ATOM 1611 O SER A 98 90.171 -9.942 21.971 1.00 0.00 O ATOM 1612 CB SER A 98 87.613 -9.463 21.272 1.00 0.00 C ATOM 1613 OG SER A 98 86.476 -8.614 21.360 1.00 0.00 O ATOM 0 H SER A 98 89.187 -9.702 18.632 1.00 0.00 H new ATOM 0 HA SER A 98 88.668 -7.681 20.664 1.00 0.00 H new ATOM 0 HB2 SER A 98 87.345 -10.398 20.780 1.00 0.00 H new ATOM 0 HB3 SER A 98 87.968 -9.718 22.271 1.00 0.00 H new ATOM 0 HG SER A 98 86.461 -8.007 20.591 1.00 0.00 H new ATOM 1619 N ILE A 99 91.104 -9.059 20.194 1.00 0.00 N ATOM 1620 CA ILE A 99 92.439 -9.578 20.596 1.00 0.00 C ATOM 1621 C ILE A 99 93.512 -8.529 20.306 1.00 0.00 C ATOM 1622 O ILE A 99 94.201 -8.068 21.195 1.00 0.00 O ATOM 1623 CB ILE A 99 92.739 -10.849 19.803 1.00 0.00 C ATOM 1624 CG1 ILE A 99 91.612 -11.862 20.015 1.00 0.00 C ATOM 1625 CG2 ILE A 99 94.056 -11.449 20.283 1.00 0.00 C ATOM 1626 CD1 ILE A 99 90.900 -12.119 18.687 1.00 0.00 C ATOM 0 H ILE A 99 91.085 -8.528 19.323 1.00 0.00 H new ATOM 0 HA ILE A 99 92.438 -9.800 21.663 1.00 0.00 H new ATOM 0 HB ILE A 99 92.814 -10.605 18.743 1.00 0.00 H new ATOM 0 HG12 ILE A 99 92.016 -12.794 20.409 1.00 0.00 H new ATOM 0 HG13 ILE A 99 90.904 -11.485 20.752 1.00 0.00 H new ATOM 0 HG21 ILE A 99 94.270 -12.356 19.717 1.00 0.00 H new ATOM 0 HG22 ILE A 99 94.860 -10.729 20.132 1.00 0.00 H new ATOM 0 HG23 ILE A 99 93.980 -11.692 21.343 1.00 0.00 H new ATOM 0 HD11 ILE A 99 90.097 -12.841 18.838 1.00 0.00 H new ATOM 0 HD12 ILE A 99 90.482 -11.185 18.311 1.00 0.00 H new ATOM 0 HD13 ILE A 99 91.612 -12.515 17.963 1.00 0.00 H new ATOM 1638 N LYS A 100 93.658 -8.146 19.070 1.00 0.00 N ATOM 1639 CA LYS A 100 94.684 -7.124 18.720 1.00 0.00 C ATOM 1640 C LYS A 100 94.052 -5.736 18.806 1.00 0.00 C ATOM 1641 O LYS A 100 93.649 -5.163 17.813 1.00 0.00 O ATOM 1642 CB LYS A 100 95.187 -7.379 17.297 1.00 0.00 C ATOM 1643 CG LYS A 100 96.702 -7.168 17.242 1.00 0.00 C ATOM 1644 CD LYS A 100 97.140 -6.983 15.786 1.00 0.00 C ATOM 1645 CE LYS A 100 97.020 -8.316 15.045 1.00 0.00 C ATOM 1646 NZ LYS A 100 98.106 -8.420 14.028 1.00 0.00 N ATOM 0 H LYS A 100 93.110 -8.497 18.284 1.00 0.00 H new ATOM 0 HA LYS A 100 95.523 -7.185 19.413 1.00 0.00 H new ATOM 0 HB2 LYS A 100 94.940 -8.395 16.990 1.00 0.00 H new ATOM 0 HB3 LYS A 100 94.690 -6.705 16.599 1.00 0.00 H new ATOM 0 HG2 LYS A 100 96.980 -6.293 17.830 1.00 0.00 H new ATOM 0 HG3 LYS A 100 97.215 -8.023 17.681 1.00 0.00 H new ATOM 0 HD2 LYS A 100 96.520 -6.228 15.302 1.00 0.00 H new ATOM 0 HD3 LYS A 100 98.169 -6.624 15.747 1.00 0.00 H new ATOM 0 HE2 LYS A 100 97.088 -9.144 15.751 1.00 0.00 H new ATOM 0 HE3 LYS A 100 96.046 -8.389 14.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 98.244 -9.418 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 97.843 -7.875 13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 98.990 -8.040 14.424 1.00 0.00 H new ATOM 1660 N LYS A 101 93.949 -5.194 19.989 1.00 0.00 N ATOM 1661 CA LYS A 101 93.328 -3.850 20.137 1.00 0.00 C ATOM 1662 C LYS A 101 94.196 -2.992 21.062 1.00 0.00 C ATOM 1663 O LYS A 101 93.832 -2.712 22.186 1.00 0.00 O ATOM 1664 CB LYS A 101 91.919 -3.976 20.741 1.00 0.00 C ATOM 1665 CG LYS A 101 91.319 -5.367 20.465 1.00 0.00 C ATOM 1666 CD LYS A 101 90.835 -5.985 21.781 1.00 0.00 C ATOM 1667 CE LYS A 101 91.950 -5.908 22.827 1.00 0.00 C ATOM 1668 NZ LYS A 101 92.014 -7.189 23.587 1.00 0.00 N ATOM 0 H LYS A 101 94.268 -5.624 20.857 1.00 0.00 H new ATOM 0 HA LYS A 101 93.253 -3.385 19.154 1.00 0.00 H new ATOM 0 HB2 LYS A 101 91.964 -3.803 21.816 1.00 0.00 H new ATOM 0 HB3 LYS A 101 91.270 -3.207 20.322 1.00 0.00 H new ATOM 0 HG2 LYS A 101 90.489 -5.284 19.763 1.00 0.00 H new ATOM 0 HG3 LYS A 101 92.066 -6.011 20.001 1.00 0.00 H new ATOM 0 HD2 LYS A 101 89.951 -5.457 22.138 1.00 0.00 H new ATOM 0 HD3 LYS A 101 90.544 -7.023 21.621 1.00 0.00 H new ATOM 0 HE2 LYS A 101 92.906 -5.714 22.340 1.00 0.00 H new ATOM 0 HE3 LYS A 101 91.766 -5.078 23.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 92.772 -7.134 24.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 91.105 -7.356 24.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 92.210 -7.972 22.931 1.00 0.00 H new ATOM 1682 N GLY A 102 95.341 -2.575 20.597 1.00 0.00 N ATOM 1683 CA GLY A 102 96.230 -1.738 21.451 1.00 0.00 C ATOM 1684 C GLY A 102 97.458 -1.313 20.647 1.00 0.00 C ATOM 1685 O GLY A 102 98.462 -1.997 20.620 1.00 0.00 O ATOM 0 H GLY A 102 95.699 -2.777 19.664 1.00 0.00 H new ATOM 0 HA2 GLY A 102 95.691 -0.859 21.803 1.00 0.00 H new ATOM 0 HA3 GLY A 102 96.537 -2.299 22.334 1.00 0.00 H new ATOM 1689 N ASN A 103 97.390 -0.188 19.988 1.00 0.00 N ATOM 1690 CA ASN A 103 98.555 0.276 19.187 1.00 0.00 C ATOM 1691 C ASN A 103 98.857 -0.749 18.091 1.00 0.00 C ATOM 1692 O ASN A 103 99.904 -0.727 17.476 1.00 0.00 O ATOM 1693 CB ASN A 103 99.774 0.422 20.101 1.00 0.00 C ATOM 1694 CG ASN A 103 99.787 1.824 20.712 1.00 0.00 C ATOM 1695 OD1 ASN A 103 99.770 1.974 21.917 1.00 0.00 O ATOM 1696 ND2 ASN A 103 99.816 2.864 19.926 1.00 0.00 N ATOM 0 H ASN A 103 96.578 0.429 19.971 1.00 0.00 H new ATOM 0 HA ASN A 103 98.326 1.239 18.731 1.00 0.00 H new ATOM 0 HB2 ASN A 103 99.743 -0.330 20.890 1.00 0.00 H new ATOM 0 HB3 ASN A 103 100.689 0.252 19.534 1.00 0.00 H new ATOM 0 HD21 ASN A 103 99.824 3.803 20.323 1.00 0.00 H new ATOM 0 HD22 ASN A 103 99.830 2.738 18.914 1.00 0.00 H new ATOM 1703 N ASN A 104 97.943 -1.647 17.843 1.00 0.00 N ATOM 1704 CA ASN A 104 98.171 -2.675 16.789 1.00 0.00 C ATOM 1705 C ASN A 104 96.821 -3.208 16.307 1.00 0.00 C ATOM 1706 O ASN A 104 96.352 -4.234 16.760 1.00 0.00 O ATOM 1707 CB ASN A 104 98.993 -3.827 17.374 1.00 0.00 C ATOM 1708 CG ASN A 104 100.273 -4.012 16.557 1.00 0.00 C ATOM 1709 OD1 ASN A 104 100.554 -3.239 15.662 1.00 0.00 O ATOM 1710 ND2 ASN A 104 101.066 -5.012 16.827 1.00 0.00 N ATOM 0 H ASN A 104 97.047 -1.713 18.326 1.00 0.00 H new ATOM 0 HA ASN A 104 98.710 -2.231 15.952 1.00 0.00 H new ATOM 0 HB2 ASN A 104 99.241 -3.618 18.415 1.00 0.00 H new ATOM 0 HB3 ASN A 104 98.407 -4.746 17.364 1.00 0.00 H new ATOM 0 HD21 ASN A 104 101.921 -5.145 16.287 1.00 0.00 H new ATOM 0 HD22 ASN A 104 100.831 -5.661 17.578 1.00 0.00 H new ATOM 1717 N ALA A 105 96.186 -2.519 15.398 1.00 0.00 N ATOM 1718 CA ALA A 105 94.864 -2.993 14.902 1.00 0.00 C ATOM 1719 C ALA A 105 94.693 -2.617 13.428 1.00 0.00 C ATOM 1720 O ALA A 105 94.086 -1.616 13.101 1.00 0.00 O ATOM 1721 CB ALA A 105 93.749 -2.340 15.722 1.00 0.00 C ATOM 0 H ALA A 105 96.524 -1.652 14.979 1.00 0.00 H new ATOM 0 HA ALA A 105 94.812 -4.077 15.005 1.00 0.00 H new ATOM 0 HB1 ALA A 105 92.781 -2.686 15.360 1.00 0.00 H new ATOM 0 HB2 ALA A 105 93.862 -2.612 16.771 1.00 0.00 H new ATOM 0 HB3 ALA A 105 93.809 -1.256 15.619 1.00 0.00 H new ATOM 1727 N PHE A 106 95.209 -3.415 12.536 1.00 0.00 N ATOM 1728 CA PHE A 106 95.058 -3.103 11.084 1.00 0.00 C ATOM 1729 C PHE A 106 94.122 -4.125 10.457 1.00 0.00 C ATOM 1730 O PHE A 106 94.010 -5.241 10.924 1.00 0.00 O ATOM 1731 CB PHE A 106 96.407 -3.187 10.357 1.00 0.00 C ATOM 1732 CG PHE A 106 97.508 -3.530 11.318 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.703 -4.857 11.707 1.00 0.00 C ATOM 1734 CD2 PHE A 106 98.337 -2.522 11.812 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.730 -5.177 12.595 1.00 0.00 C ATOM 1736 CE2 PHE A 106 99.364 -2.837 12.701 1.00 0.00 C ATOM 1737 CZ PHE A 106 99.564 -4.167 13.095 1.00 0.00 C ATOM 0 H PHE A 106 95.728 -4.268 12.747 1.00 0.00 H new ATOM 0 HA PHE A 106 94.664 -2.091 10.990 1.00 0.00 H new ATOM 0 HB2 PHE A 106 96.356 -3.941 9.571 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.624 -2.235 9.872 1.00 0.00 H new ATOM 0 HD1 PHE A 106 97.060 -5.634 11.321 1.00 0.00 H new ATOM 0 HD2 PHE A 106 98.183 -1.498 11.506 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.883 -6.203 12.897 1.00 0.00 H new ATOM 0 HE2 PHE A 106 100.005 -2.057 13.085 1.00 0.00 H new ATOM 0 HZ PHE A 106 100.359 -4.414 13.783 1.00 0.00 H new ATOM 1747 N ARG A 107 93.471 -3.779 9.384 1.00 0.00 N ATOM 1748 CA ARG A 107 92.587 -4.780 8.736 1.00 0.00 C ATOM 1749 C ARG A 107 93.473 -5.653 7.858 1.00 0.00 C ATOM 1750 O ARG A 107 93.890 -5.263 6.780 1.00 0.00 O ATOM 1751 CB ARG A 107 91.486 -4.121 7.900 1.00 0.00 C ATOM 1752 CG ARG A 107 90.453 -3.434 8.803 1.00 0.00 C ATOM 1753 CD ARG A 107 91.147 -2.673 9.933 1.00 0.00 C ATOM 1754 NE ARG A 107 90.120 -1.950 10.735 1.00 0.00 N ATOM 1755 CZ ARG A 107 90.479 -1.031 11.589 1.00 0.00 C ATOM 1756 NH1 ARG A 107 91.742 -0.739 11.747 1.00 0.00 N ATOM 1757 NH2 ARG A 107 89.572 -0.404 12.287 1.00 0.00 N ATOM 0 H ARG A 107 93.511 -2.864 8.935 1.00 0.00 H new ATOM 0 HA ARG A 107 92.078 -5.370 9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.926 -3.390 7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 107 90.993 -4.872 7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.847 -2.747 8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.775 -4.178 9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 107 91.701 -3.365 10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 107 91.870 -1.967 9.523 1.00 0.00 H new ATOM 0 HE ARG A 107 89.132 -2.174 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 107 92.451 -1.230 11.202 1.00 0.00 H new ATOM 0 HH12 ARG A 107 92.020 -0.020 12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 107 88.586 -0.633 12.164 1.00 0.00 H new ATOM 0 HH22 ARG A 107 89.849 0.315 12.955 1.00 0.00 H new ATOM 1771 N VAL A 108 93.800 -6.818 8.338 1.00 0.00 N ATOM 1772 CA VAL A 108 94.687 -7.719 7.567 1.00 0.00 C ATOM 1773 C VAL A 108 93.929 -8.292 6.377 1.00 0.00 C ATOM 1774 O VAL A 108 92.974 -9.031 6.521 1.00 0.00 O ATOM 1775 CB VAL A 108 95.185 -8.834 8.481 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.419 -9.488 7.865 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.565 -8.226 9.829 1.00 0.00 C ATOM 0 H VAL A 108 93.487 -7.184 9.237 1.00 0.00 H new ATOM 0 HA VAL A 108 95.545 -7.163 7.190 1.00 0.00 H new ATOM 0 HB VAL A 108 94.404 -9.583 8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.774 -10.284 8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 108 96.162 -9.906 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 108 97.204 -8.742 7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.923 -9.011 10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 108 96.352 -7.485 9.685 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.692 -7.747 10.271 1.00 0.00 H new ATOM 1787 N TYR A 109 94.351 -7.933 5.201 1.00 0.00 N ATOM 1788 CA TYR A 109 93.675 -8.425 3.974 1.00 0.00 C ATOM 1789 C TYR A 109 94.421 -9.645 3.432 1.00 0.00 C ATOM 1790 O TYR A 109 95.626 -9.631 3.275 1.00 0.00 O ATOM 1791 CB TYR A 109 93.689 -7.318 2.919 1.00 0.00 C ATOM 1792 CG TYR A 109 92.555 -6.356 3.179 1.00 0.00 C ATOM 1793 CD1 TYR A 109 92.131 -6.098 4.488 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.923 -5.723 2.107 1.00 0.00 C ATOM 1795 CE1 TYR A 109 91.077 -5.207 4.714 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.869 -4.831 2.341 1.00 0.00 C ATOM 1797 CZ TYR A 109 90.446 -4.576 3.643 1.00 0.00 C ATOM 1798 OH TYR A 109 89.407 -3.697 3.873 1.00 0.00 O ATOM 0 H TYR A 109 95.144 -7.313 5.036 1.00 0.00 H new ATOM 0 HA TYR A 109 92.648 -8.703 4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.641 -6.789 2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.592 -7.750 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.616 -6.585 5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 109 92.247 -5.921 1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.750 -5.007 5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.384 -4.340 1.510 1.00 0.00 H new ATOM 0 HH TYR A 109 89.710 -2.981 4.470 1.00 0.00 H new ATOM 1808 N ARG A 110 93.714 -10.699 3.135 1.00 0.00 N ATOM 1809 CA ARG A 110 94.378 -11.916 2.594 1.00 0.00 C ATOM 1810 C ARG A 110 93.967 -12.100 1.132 1.00 0.00 C ATOM 1811 O ARG A 110 92.796 -12.153 0.811 1.00 0.00 O ATOM 1812 CB ARG A 110 93.950 -13.139 3.409 1.00 0.00 C ATOM 1813 CG ARG A 110 94.523 -13.033 4.823 1.00 0.00 C ATOM 1814 CD ARG A 110 94.003 -14.189 5.678 1.00 0.00 C ATOM 1815 NE ARG A 110 95.076 -14.642 6.608 1.00 0.00 N ATOM 1816 CZ ARG A 110 96.027 -15.432 6.184 1.00 0.00 C ATOM 1817 NH1 ARG A 110 96.046 -15.829 4.940 1.00 0.00 N ATOM 1818 NH2 ARG A 110 96.962 -15.825 7.006 1.00 0.00 N ATOM 0 H ARG A 110 92.702 -10.770 3.244 1.00 0.00 H new ATOM 0 HA ARG A 110 95.460 -11.806 2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 110 92.862 -13.201 3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 110 94.303 -14.052 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.612 -13.056 4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 110 94.239 -12.081 5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 110 93.127 -13.871 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 110 93.688 -15.014 5.040 1.00 0.00 H new ATOM 0 HE ARG A 110 95.068 -14.334 7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 110 95.317 -15.523 4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 110 96.790 -16.445 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 110 96.950 -15.516 7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 110 97.705 -16.442 6.676 1.00 0.00 H new ATOM 1832 N MET A 111 94.919 -12.186 0.243 1.00 0.00 N ATOM 1833 CA MET A 111 94.577 -12.358 -1.196 1.00 0.00 C ATOM 1834 C MET A 111 94.764 -13.821 -1.598 1.00 0.00 C ATOM 1835 O MET A 111 95.847 -14.246 -1.946 1.00 0.00 O ATOM 1836 CB MET A 111 95.495 -11.476 -2.045 1.00 0.00 C ATOM 1837 CG MET A 111 95.494 -10.052 -1.483 1.00 0.00 C ATOM 1838 SD MET A 111 94.703 -8.935 -2.666 1.00 0.00 S ATOM 1839 CE MET A 111 96.158 -8.629 -3.697 1.00 0.00 C ATOM 0 H MET A 111 95.917 -12.145 0.451 1.00 0.00 H new ATOM 0 HA MET A 111 93.539 -12.069 -1.358 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.508 -11.879 -2.043 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.156 -11.470 -3.081 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.963 -10.026 -0.531 1.00 0.00 H new ATOM 0 HG3 MET A 111 96.516 -9.727 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 111 95.845 -8.212 -4.654 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.819 -7.924 -3.193 1.00 0.00 H new ATOM 0 HE3 MET A 111 96.688 -9.566 -3.866 1.00 0.00 H new ATOM 1849 N LEU A 112 93.715 -14.598 -1.552 1.00 0.00 N ATOM 1850 CA LEU A 112 93.835 -16.033 -1.934 1.00 0.00 C ATOM 1851 C LEU A 112 93.859 -16.154 -3.461 1.00 0.00 C ATOM 1852 O LEU A 112 93.362 -15.290 -4.156 1.00 0.00 O ATOM 1853 CB LEU A 112 92.640 -16.811 -1.380 1.00 0.00 C ATOM 1854 CG LEU A 112 91.342 -16.148 -1.840 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.546 -17.128 -2.703 1.00 0.00 C ATOM 1856 CD2 LEU A 112 90.512 -15.753 -0.617 1.00 0.00 C ATOM 0 H LEU A 112 92.782 -14.301 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 112 94.757 -16.442 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.675 -17.845 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.682 -16.836 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 112 91.575 -15.258 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.620 -16.655 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 112 91.138 -17.410 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.312 -18.019 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 112 89.586 -15.280 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.279 -16.643 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 112 91.079 -15.054 -0.002 1.00 0.00 H new ATOM 1868 N PRO A 113 94.442 -17.224 -3.936 1.00 0.00 N ATOM 1869 CA PRO A 113 94.554 -17.492 -5.378 1.00 0.00 C ATOM 1870 C PRO A 113 93.231 -18.032 -5.931 1.00 0.00 C ATOM 1871 O PRO A 113 93.210 -19.176 -6.351 1.00 0.00 O ATOM 1872 CB PRO A 113 95.653 -18.548 -5.466 1.00 0.00 C ATOM 1873 CG PRO A 113 95.710 -19.228 -4.082 1.00 0.00 C ATOM 1874 CD PRO A 113 95.044 -18.264 -3.083 1.00 0.00 C ATOM 1875 OXT PRO A 113 92.263 -17.290 -5.923 1.00 0.00 O ATOM 0 HA PRO A 113 94.782 -16.599 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 113 95.432 -19.275 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 113 96.611 -18.092 -5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 113 95.190 -20.186 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 113 96.741 -19.431 -3.794 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.290 -18.772 -2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 113 95.772 -17.840 -2.391 1.00 0.00 H new TER 1883 PRO A 113