USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 938 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 57 THR OG1 : rot -160:sc= 1.18 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 1 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.149 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 9 SER OG : rot 180:sc=7.36e-05 USER MOD Single : A 15 MET CE :methyl 179:sc= -0.209 (180deg=-0.21) USER MOD Single : A 20 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.35) USER MOD Single : A 24 ASN : amide:sc= -1.68 K(o=-1.7,f=-7.6!) USER MOD Single : A 27 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.023) USER MOD Single : A 28 SER OG : rot 180:sc= 0.185 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00439 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -52:sc= 1.2 USER MOD Single : A 46 HIS : no HD1:sc= -0.092 X(o=-0.092,f=-0.092) USER MOD Single : A 48 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.9!) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc=-0.000953 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 59 SER OG : rot 11:sc= 1.1 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.22) USER MOD Single : A 67 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00241 USER MOD Single : A 76 GLN : amide:sc= -0.476 K(o=-0.48,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0662 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.7!) USER MOD Single : A 83 MET CE :methyl -160:sc= -1.73 (180deg=-3.08) USER MOD Single : A 91 SER OG : rot -130:sc= -0.0769 USER MOD Single : A 92 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.27) USER MOD Single : A 93 TYR OH : rot -176:sc= 1.51 USER MOD Single : A 96 ASN : amide:sc= -0.345 K(o=-0.34,f=-5.9!) USER MOD Single : A 101 ASN : amide:sc= 1.38 K(o=1.4,f=-11!) USER MOD Single : A 103 LYS NZ :NH3+ -127:sc= 1.16 (180deg=0.264) USER MOD Single : A 109 SER OG : rot 92:sc= 1.77 USER MOD Single : A 115 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.0093) USER MOD Single : A 116 THR OG1 : rot -160:sc= 0.207 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0.0064 USER MOD Single : A 124 SER OG : rot 180:sc=-0.00363 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.143 -47.213 18.566 1.00 0.00 N ATOM 2 CA GLY A 1 13.059 -46.232 17.964 1.00 0.00 C ATOM 3 C GLY A 1 13.134 -46.503 16.476 1.00 0.00 C ATOM 4 O GLY A 1 12.949 -47.648 16.075 1.00 0.00 O ATOM 0 H1 GLY A 1 12.526 -47.530 19.480 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.212 -46.773 18.714 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.043 -48.030 17.930 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.704 -45.218 18.148 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.048 -46.310 18.415 1.00 0.00 H new ATOM 8 N SER A 2 13.354 -45.468 15.675 1.00 0.00 N ATOM 9 CA SER A 2 13.256 -45.497 14.224 1.00 0.00 C ATOM 10 C SER A 2 13.910 -44.212 13.699 1.00 0.00 C ATOM 11 O SER A 2 14.395 -43.402 14.492 1.00 0.00 O ATOM 12 CB SER A 2 11.771 -45.622 13.813 1.00 0.00 C ATOM 13 OG SER A 2 10.901 -44.940 14.707 1.00 0.00 O ATOM 0 H SER A 2 13.616 -44.550 16.034 1.00 0.00 H new ATOM 0 HA SER A 2 13.772 -46.355 13.794 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.640 -45.222 12.808 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.495 -46.676 13.775 1.00 0.00 H new ATOM 0 HG SER A 2 9.974 -45.046 14.406 1.00 0.00 H new ATOM 19 N SER A 3 13.915 -44.016 12.383 1.00 0.00 N ATOM 20 CA SER A 3 14.138 -42.730 11.744 1.00 0.00 C ATOM 21 C SER A 3 13.147 -42.644 10.576 1.00 0.00 C ATOM 22 O SER A 3 12.403 -43.599 10.331 1.00 0.00 O ATOM 23 CB SER A 3 15.609 -42.606 11.327 1.00 0.00 C ATOM 24 OG SER A 3 15.912 -41.283 10.923 1.00 0.00 O ATOM 0 H SER A 3 13.759 -44.772 11.716 1.00 0.00 H new ATOM 0 HA SER A 3 13.958 -41.888 12.412 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.252 -42.892 12.159 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.819 -43.297 10.510 1.00 0.00 H new ATOM 0 HG SER A 3 16.855 -41.228 10.663 1.00 0.00 H new ATOM 30 N GLY A 4 13.134 -41.511 9.875 1.00 0.00 N ATOM 31 CA GLY A 4 12.074 -41.147 8.947 1.00 0.00 C ATOM 32 C GLY A 4 11.074 -40.273 9.694 1.00 0.00 C ATOM 33 O GLY A 4 10.413 -40.741 10.617 1.00 0.00 O ATOM 0 H GLY A 4 13.874 -40.812 9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.484 -40.611 8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.584 -42.040 8.559 1.00 0.00 H new ATOM 37 N SER A 5 11.012 -38.987 9.346 1.00 0.00 N ATOM 38 CA SER A 5 10.048 -38.050 9.911 1.00 0.00 C ATOM 39 C SER A 5 9.848 -36.911 8.908 1.00 0.00 C ATOM 40 O SER A 5 8.744 -36.735 8.400 1.00 0.00 O ATOM 41 CB SER A 5 10.535 -37.576 11.293 1.00 0.00 C ATOM 42 OG SER A 5 9.475 -37.100 12.092 1.00 0.00 O ATOM 0 H SER A 5 11.636 -38.566 8.658 1.00 0.00 H new ATOM 0 HA SER A 5 9.078 -38.519 10.077 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.033 -38.400 11.804 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.276 -36.786 11.165 1.00 0.00 H new ATOM 0 HG SER A 5 9.825 -36.811 12.961 1.00 0.00 H new ATOM 48 N SER A 6 10.935 -36.223 8.531 1.00 0.00 N ATOM 49 CA SER A 6 10.884 -34.971 7.780 1.00 0.00 C ATOM 50 C SER A 6 10.173 -33.900 8.622 1.00 0.00 C ATOM 51 O SER A 6 10.066 -34.032 9.842 1.00 0.00 O ATOM 52 CB SER A 6 10.290 -35.201 6.373 1.00 0.00 C ATOM 53 OG SER A 6 10.881 -34.341 5.414 1.00 0.00 O ATOM 0 H SER A 6 11.884 -36.529 8.744 1.00 0.00 H new ATOM 0 HA SER A 6 11.888 -34.589 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.444 -36.239 6.077 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.213 -35.033 6.399 1.00 0.00 H new ATOM 0 HG SER A 6 10.486 -34.512 4.534 1.00 0.00 H new ATOM 59 N GLY A 7 9.767 -32.805 7.987 1.00 0.00 N ATOM 60 CA GLY A 7 9.296 -31.590 8.620 1.00 0.00 C ATOM 61 C GLY A 7 10.323 -30.490 8.377 1.00 0.00 C ATOM 62 O GLY A 7 11.481 -30.766 8.059 1.00 0.00 O ATOM 0 H GLY A 7 9.759 -32.744 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.327 -31.301 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.157 -31.749 9.689 1.00 0.00 H new ATOM 66 N HIS A 8 9.910 -29.235 8.530 1.00 0.00 N ATOM 67 CA HIS A 8 10.781 -28.078 8.418 1.00 0.00 C ATOM 68 C HIS A 8 10.234 -27.033 9.389 1.00 0.00 C ATOM 69 O HIS A 8 9.051 -26.679 9.317 1.00 0.00 O ATOM 70 CB HIS A 8 10.799 -27.591 6.956 1.00 0.00 C ATOM 71 CG HIS A 8 11.800 -26.506 6.635 1.00 0.00 C ATOM 72 ND1 HIS A 8 11.833 -25.763 5.474 1.00 0.00 N ATOM 73 CD2 HIS A 8 12.850 -26.095 7.414 1.00 0.00 C ATOM 74 CE1 HIS A 8 12.836 -24.876 5.588 1.00 0.00 C ATOM 75 NE2 HIS A 8 13.509 -25.073 6.730 1.00 0.00 N ATOM 0 H HIS A 8 8.941 -28.993 8.739 1.00 0.00 H new ATOM 0 HA HIS A 8 11.816 -28.301 8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.000 -28.446 6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.803 -27.227 6.702 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.119 -26.491 8.382 1.00 0.00 H new ATOM 0 HE1 HIS A 8 13.067 -24.111 4.861 1.00 0.00 H new ATOM 0 HE2 HIS A 8 14.342 -24.572 7.039 1.00 0.00 H new ATOM 83 N SER A 9 11.058 -26.592 10.339 1.00 0.00 N ATOM 84 CA SER A 9 10.698 -25.490 11.212 1.00 0.00 C ATOM 85 C SER A 9 10.727 -24.185 10.408 1.00 0.00 C ATOM 86 O SER A 9 11.091 -24.136 9.230 1.00 0.00 O ATOM 87 CB SER A 9 11.651 -25.451 12.416 1.00 0.00 C ATOM 88 OG SER A 9 11.091 -24.730 13.501 1.00 0.00 O ATOM 0 H SER A 9 11.981 -26.987 10.519 1.00 0.00 H new ATOM 0 HA SER A 9 9.689 -25.623 11.601 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.879 -26.468 12.733 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.594 -24.991 12.120 1.00 0.00 H new ATOM 0 HG SER A 9 11.722 -24.726 14.251 1.00 0.00 H new ATOM 94 N GLY A 10 10.331 -23.109 11.067 1.00 0.00 N ATOM 95 CA GLY A 10 10.259 -21.756 10.560 1.00 0.00 C ATOM 96 C GLY A 10 9.488 -20.938 11.584 1.00 0.00 C ATOM 97 O GLY A 10 8.781 -21.509 12.425 1.00 0.00 O ATOM 0 H GLY A 10 10.031 -23.166 12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.258 -21.346 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.758 -21.733 9.592 1.00 0.00 H new ATOM 101 N GLU A 11 9.643 -19.619 11.549 1.00 0.00 N ATOM 102 CA GLU A 11 9.060 -18.743 12.549 1.00 0.00 C ATOM 103 C GLU A 11 7.550 -18.784 12.457 1.00 0.00 C ATOM 104 O GLU A 11 6.905 -19.248 13.401 1.00 0.00 O ATOM 105 CB GLU A 11 9.649 -17.338 12.484 1.00 0.00 C ATOM 106 CG GLU A 11 11.123 -17.314 12.922 1.00 0.00 C ATOM 107 CD GLU A 11 12.122 -17.477 11.771 1.00 0.00 C ATOM 108 OE1 GLU A 11 11.810 -18.075 10.715 1.00 0.00 O ATOM 109 OE2 GLU A 11 13.249 -16.950 11.909 1.00 0.00 O ATOM 0 H GLU A 11 10.175 -19.132 10.828 1.00 0.00 H new ATOM 0 HA GLU A 11 9.323 -19.108 13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.566 -16.956 11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.069 -16.671 13.123 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.324 -16.372 13.432 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.288 -18.111 13.647 1.00 0.00 H new ATOM 116 N ASP A 12 7.002 -18.351 11.321 1.00 0.00 N ATOM 117 CA ASP A 12 5.629 -18.676 10.964 1.00 0.00 C ATOM 118 C ASP A 12 5.313 -18.233 9.546 1.00 0.00 C ATOM 119 O ASP A 12 4.897 -19.058 8.734 1.00 0.00 O ATOM 120 CB ASP A 12 4.601 -18.052 11.922 1.00 0.00 C ATOM 121 CG ASP A 12 3.629 -19.105 12.487 1.00 0.00 C ATOM 122 OD1 ASP A 12 3.342 -20.119 11.805 1.00 0.00 O ATOM 123 OD2 ASP A 12 3.131 -18.922 13.620 1.00 0.00 O ATOM 0 H ASP A 12 7.491 -17.775 10.636 1.00 0.00 H new ATOM 0 HA ASP A 12 5.550 -19.760 11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.122 -17.561 12.744 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.036 -17.282 11.397 1.00 0.00 H new ATOM 128 N LEU A 13 5.598 -16.956 9.271 1.00 0.00 N ATOM 129 CA LEU A 13 5.234 -16.128 8.101 1.00 0.00 C ATOM 130 C LEU A 13 3.740 -16.143 7.707 1.00 0.00 C ATOM 131 O LEU A 13 3.020 -17.057 8.090 1.00 0.00 O ATOM 132 CB LEU A 13 6.100 -16.562 6.915 1.00 0.00 C ATOM 133 CG LEU A 13 7.588 -16.268 7.161 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.403 -17.197 6.277 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.897 -14.787 6.930 1.00 0.00 C ATOM 0 H LEU A 13 6.151 -16.411 9.933 1.00 0.00 H new ATOM 0 HA LEU A 13 5.422 -15.094 8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.964 -17.629 6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.770 -16.044 6.015 1.00 0.00 H new ATOM 0 HG LEU A 13 7.856 -16.460 8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.465 -17.008 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.177 -18.233 6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.152 -17.017 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.956 -14.604 7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.653 -14.520 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.303 -14.180 7.613 1.00 0.00 H new ATOM 147 N PRO A 14 3.224 -15.172 6.925 1.00 0.00 N ATOM 148 CA PRO A 14 1.845 -15.230 6.431 1.00 0.00 C ATOM 149 C PRO A 14 1.702 -16.247 5.282 1.00 0.00 C ATOM 150 O PRO A 14 2.636 -16.993 4.979 1.00 0.00 O ATOM 151 CB PRO A 14 1.495 -13.796 6.017 1.00 0.00 C ATOM 152 CG PRO A 14 2.847 -13.232 5.608 1.00 0.00 C ATOM 153 CD PRO A 14 3.871 -13.942 6.482 1.00 0.00 C ATOM 0 HA PRO A 14 1.150 -15.583 7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.780 -13.774 5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.052 -13.233 6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.043 -13.412 4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.883 -12.153 5.760 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.781 -14.158 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.158 -13.322 7.332 1.00 0.00 H new ATOM 161 N MET A 15 0.515 -16.310 4.665 1.00 0.00 N ATOM 162 CA MET A 15 0.162 -17.253 3.604 1.00 0.00 C ATOM 163 C MET A 15 -0.539 -16.595 2.426 1.00 0.00 C ATOM 164 O MET A 15 -0.190 -16.905 1.292 1.00 0.00 O ATOM 165 CB MET A 15 -0.745 -18.369 4.149 1.00 0.00 C ATOM 166 CG MET A 15 -0.034 -19.225 5.197 1.00 0.00 C ATOM 167 SD MET A 15 -0.692 -20.902 5.437 1.00 0.00 S ATOM 168 CE MET A 15 -2.295 -20.545 6.198 1.00 0.00 C ATOM 0 H MET A 15 -0.252 -15.681 4.902 1.00 0.00 H new ATOM 0 HA MET A 15 1.107 -17.664 3.248 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.639 -17.927 4.588 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.074 -19.003 3.326 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.017 -19.305 4.919 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.073 -18.701 6.152 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.824 -21.479 6.388 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.141 -20.017 7.139 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.886 -19.923 5.526 1.00 0.00 H new ATOM 178 N VAL A 16 -1.542 -15.746 2.665 1.00 0.00 N ATOM 179 CA VAL A 16 -2.416 -15.253 1.603 1.00 0.00 C ATOM 180 C VAL A 16 -2.562 -13.735 1.702 1.00 0.00 C ATOM 181 O VAL A 16 -1.929 -13.091 2.546 1.00 0.00 O ATOM 182 CB VAL A 16 -3.753 -16.030 1.562 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.527 -17.546 1.463 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.723 -15.702 2.703 1.00 0.00 C ATOM 0 H VAL A 16 -1.768 -15.385 3.592 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.958 -15.448 0.633 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.241 -15.681 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.490 -18.056 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.971 -17.772 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.959 -17.887 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.631 -16.294 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.253 -15.936 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.975 -14.642 2.673 1.00 0.00 H new ATOM 194 N ALA A 17 -3.361 -13.160 0.810 1.00 0.00 N ATOM 195 CA ALA A 17 -3.623 -11.745 0.677 1.00 0.00 C ATOM 196 C ALA A 17 -5.109 -11.467 0.958 1.00 0.00 C ATOM 197 O ALA A 17 -5.910 -12.411 0.997 1.00 0.00 O ATOM 198 CB ALA A 17 -3.227 -11.342 -0.740 1.00 0.00 C ATOM 0 H ALA A 17 -3.872 -13.711 0.120 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.047 -11.160 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.411 -10.277 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.169 -11.551 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.818 -11.910 -1.458 1.00 0.00 H new ATOM 204 N PRO A 18 -5.482 -10.197 1.202 1.00 0.00 N ATOM 205 CA PRO A 18 -6.871 -9.849 1.452 1.00 0.00 C ATOM 206 C PRO A 18 -7.759 -10.066 0.224 1.00 0.00 C ATOM 207 O PRO A 18 -7.359 -9.793 -0.913 1.00 0.00 O ATOM 208 CB PRO A 18 -6.878 -8.398 1.926 1.00 0.00 C ATOM 209 CG PRO A 18 -5.455 -7.868 1.783 1.00 0.00 C ATOM 210 CD PRO A 18 -4.603 -9.039 1.301 1.00 0.00 C ATOM 0 HA PRO A 18 -7.297 -10.502 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.571 -7.803 1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.210 -8.334 2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.418 -7.043 1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.086 -7.486 2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.151 -8.815 0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.787 -9.233 1.997 1.00 0.00 H new ATOM 218 N GLY A 19 -8.998 -10.490 0.489 1.00 0.00 N ATOM 219 CA GLY A 19 -10.098 -10.498 -0.462 1.00 0.00 C ATOM 220 C GLY A 19 -10.385 -9.091 -1.000 1.00 0.00 C ATOM 221 O GLY A 19 -9.835 -8.093 -0.517 1.00 0.00 O ATOM 0 H GLY A 19 -9.265 -10.848 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.859 -11.164 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.993 -10.895 0.018 1.00 0.00 H new ATOM 225 N ASN A 20 -11.239 -9.040 -2.023 1.00 0.00 N ATOM 226 CA ASN A 20 -11.203 -8.062 -3.102 1.00 0.00 C ATOM 227 C ASN A 20 -11.087 -6.606 -2.654 1.00 0.00 C ATOM 228 O ASN A 20 -11.726 -6.154 -1.702 1.00 0.00 O ATOM 229 CB ASN A 20 -12.425 -8.219 -4.009 1.00 0.00 C ATOM 230 CG ASN A 20 -12.327 -7.225 -5.147 1.00 0.00 C ATOM 231 OD1 ASN A 20 -11.390 -7.282 -5.936 1.00 0.00 O ATOM 232 ND2 ASN A 20 -13.229 -6.267 -5.213 1.00 0.00 N ATOM 0 H ASN A 20 -12.004 -9.707 -2.123 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.284 -8.282 -3.645 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.475 -9.235 -4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.340 -8.051 -3.440 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.158 -5.548 -5.933 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.998 -6.244 -4.544 1.00 0.00 H new ATOM 239 N VAL A 21 -10.319 -5.849 -3.429 1.00 0.00 N ATOM 240 CA VAL A 21 -9.887 -4.501 -3.144 1.00 0.00 C ATOM 241 C VAL A 21 -10.868 -3.557 -3.852 1.00 0.00 C ATOM 242 O VAL A 21 -11.079 -3.642 -5.061 1.00 0.00 O ATOM 243 CB VAL A 21 -8.395 -4.431 -3.553 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.677 -3.097 -3.322 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.627 -5.438 -2.680 1.00 0.00 C ATOM 0 H VAL A 21 -9.965 -6.187 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.915 -4.192 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.400 -4.618 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.641 -3.180 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.175 -2.312 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.703 -2.849 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.569 -5.415 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.746 -5.174 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.021 -6.440 -2.849 1.00 0.00 H new ATOM 255 N ARG A 22 -11.527 -2.691 -3.083 1.00 0.00 N ATOM 256 CA ARG A 22 -12.494 -1.687 -3.554 1.00 0.00 C ATOM 257 C ARG A 22 -12.079 -0.286 -3.143 1.00 0.00 C ATOM 258 O ARG A 22 -12.471 0.233 -2.096 1.00 0.00 O ATOM 259 CB ARG A 22 -13.894 -1.961 -3.018 1.00 0.00 C ATOM 260 CG ARG A 22 -14.487 -3.280 -3.485 1.00 0.00 C ATOM 261 CD ARG A 22 -14.656 -3.317 -5.014 1.00 0.00 C ATOM 262 NE ARG A 22 -15.702 -4.269 -5.423 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.982 -3.965 -5.655 1.00 0.00 C ATOM 264 NH1 ARG A 22 -17.359 -2.707 -5.875 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.882 -4.938 -5.636 1.00 0.00 N ATOM 0 H ARG A 22 -11.400 -2.665 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.508 -1.757 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.863 -1.954 -1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.554 -1.149 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.843 -4.101 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.455 -3.433 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.909 -2.321 -5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.710 -3.594 -5.478 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.426 -5.244 -5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.666 -1.958 -5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.341 -2.492 -6.051 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.592 -5.897 -5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.865 -4.727 -5.811 1.00 0.00 H new ATOM 279 N VAL A 23 -11.284 0.332 -3.989 1.00 0.00 N ATOM 280 CA VAL A 23 -10.779 1.681 -3.778 1.00 0.00 C ATOM 281 C VAL A 23 -11.795 2.654 -4.340 1.00 0.00 C ATOM 282 O VAL A 23 -12.441 2.369 -5.353 1.00 0.00 O ATOM 283 CB VAL A 23 -9.338 1.871 -4.306 1.00 0.00 C ATOM 284 CG1 VAL A 23 -8.933 0.791 -5.299 1.00 0.00 C ATOM 285 CG2 VAL A 23 -8.995 3.257 -4.859 1.00 0.00 C ATOM 0 H VAL A 23 -10.962 -0.092 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.672 1.882 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.742 1.773 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.913 0.972 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.987 -0.185 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.608 0.811 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.959 3.267 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.653 3.488 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.128 4.004 -4.076 1.00 0.00 H new ATOM 295 N ASN A 24 -11.930 3.777 -3.649 1.00 0.00 N ATOM 296 CA ASN A 24 -12.762 4.913 -3.993 1.00 0.00 C ATOM 297 C ASN A 24 -11.918 6.182 -4.051 1.00 0.00 C ATOM 298 O ASN A 24 -10.848 6.237 -3.454 1.00 0.00 O ATOM 299 CB ASN A 24 -13.974 4.977 -3.051 1.00 0.00 C ATOM 300 CG ASN A 24 -14.049 6.126 -2.044 1.00 0.00 C ATOM 301 OD1 ASN A 24 -13.061 6.676 -1.585 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.257 6.477 -1.654 1.00 0.00 N ATOM 0 H ASN A 24 -11.426 3.925 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.179 4.802 -4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.872 5.015 -3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.011 4.042 -2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.375 7.216 -0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.075 6.010 -2.045 1.00 0.00 H new ATOM 309 N VAL A 25 -12.371 7.203 -4.776 1.00 0.00 N ATOM 310 CA VAL A 25 -11.694 8.491 -4.832 1.00 0.00 C ATOM 311 C VAL A 25 -12.542 9.470 -4.034 1.00 0.00 C ATOM 312 O VAL A 25 -13.593 9.919 -4.493 1.00 0.00 O ATOM 313 CB VAL A 25 -11.418 8.888 -6.290 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.920 10.333 -6.416 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.332 7.951 -6.847 1.00 0.00 C ATOM 0 H VAL A 25 -13.219 7.157 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.703 8.470 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.353 8.806 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.739 10.565 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.673 11.013 -6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.993 10.449 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.120 8.215 -7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.424 8.053 -6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.682 6.920 -6.800 1.00 0.00 H new ATOM 325 N VAL A 26 -12.081 9.771 -2.823 1.00 0.00 N ATOM 326 CA VAL A 26 -12.729 10.679 -1.896 1.00 0.00 C ATOM 327 C VAL A 26 -12.666 12.092 -2.450 1.00 0.00 C ATOM 328 O VAL A 26 -13.705 12.734 -2.612 1.00 0.00 O ATOM 329 CB VAL A 26 -12.061 10.559 -0.509 1.00 0.00 C ATOM 330 CG1 VAL A 26 -12.601 11.573 0.495 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.256 9.146 0.038 1.00 0.00 C ATOM 0 H VAL A 26 -11.217 9.374 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.781 10.420 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.001 10.771 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.096 11.442 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.422 12.582 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.672 11.420 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.783 9.066 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.321 8.936 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.803 8.426 -0.644 1.00 0.00 H new ATOM 341 N ASN A 27 -11.465 12.561 -2.782 1.00 0.00 N ATOM 342 CA ASN A 27 -11.223 13.857 -3.393 1.00 0.00 C ATOM 343 C ASN A 27 -10.169 13.673 -4.477 1.00 0.00 C ATOM 344 O ASN A 27 -9.616 12.590 -4.664 1.00 0.00 O ATOM 345 CB ASN A 27 -10.752 14.908 -2.369 1.00 0.00 C ATOM 346 CG ASN A 27 -11.549 14.980 -1.075 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.772 15.064 -1.046 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.844 14.956 0.036 1.00 0.00 N ATOM 0 H ASN A 27 -10.609 12.029 -2.626 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.158 14.229 -3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.711 14.703 -2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.780 15.888 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.314 15.008 0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.827 14.886 -0.007 1.00 0.00 H new ATOM 355 N SER A 28 -9.813 14.759 -5.150 1.00 0.00 N ATOM 356 CA SER A 28 -8.801 14.778 -6.212 1.00 0.00 C ATOM 357 C SER A 28 -7.444 14.275 -5.697 1.00 0.00 C ATOM 358 O SER A 28 -6.637 13.773 -6.475 1.00 0.00 O ATOM 359 CB SER A 28 -8.675 16.206 -6.789 1.00 0.00 C ATOM 360 OG SER A 28 -9.447 17.128 -6.034 1.00 0.00 O ATOM 0 H SER A 28 -10.226 15.675 -4.973 1.00 0.00 H new ATOM 0 HA SER A 28 -9.119 14.102 -7.006 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.629 16.513 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.006 16.213 -7.828 1.00 0.00 H new ATOM 0 HG SER A 28 -9.351 18.025 -6.416 1.00 0.00 H new ATOM 366 N THR A 29 -7.218 14.362 -4.388 1.00 0.00 N ATOM 367 CA THR A 29 -5.944 14.207 -3.706 1.00 0.00 C ATOM 368 C THR A 29 -5.968 13.093 -2.655 1.00 0.00 C ATOM 369 O THR A 29 -4.956 12.882 -1.980 1.00 0.00 O ATOM 370 CB THR A 29 -5.650 15.566 -3.048 1.00 0.00 C ATOM 371 OG1 THR A 29 -6.804 16.034 -2.359 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.332 16.603 -4.120 1.00 0.00 C ATOM 0 H THR A 29 -7.976 14.556 -3.734 1.00 0.00 H new ATOM 0 HA THR A 29 -5.171 13.917 -4.417 1.00 0.00 H new ATOM 0 HB THR A 29 -4.811 15.433 -2.365 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.608 16.899 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.125 17.563 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.459 16.283 -4.689 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.185 16.706 -4.791 1.00 0.00 H new ATOM 380 N LEU A 30 -7.118 12.441 -2.455 1.00 0.00 N ATOM 381 CA LEU A 30 -7.375 11.508 -1.377 1.00 0.00 C ATOM 382 C LEU A 30 -8.271 10.377 -1.880 1.00 0.00 C ATOM 383 O LEU A 30 -9.314 10.670 -2.462 1.00 0.00 O ATOM 384 CB LEU A 30 -8.060 12.296 -0.257 1.00 0.00 C ATOM 385 CG LEU A 30 -8.272 11.468 1.015 1.00 0.00 C ATOM 386 CD1 LEU A 30 -6.940 11.003 1.604 1.00 0.00 C ATOM 387 CD2 LEU A 30 -8.993 12.364 2.015 1.00 0.00 C ATOM 0 H LEU A 30 -7.922 12.561 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.453 11.057 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.459 13.173 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.024 12.659 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.853 10.575 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.125 10.418 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.414 10.388 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.330 11.871 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.165 11.813 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.381 13.241 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.949 12.680 1.597 1.00 0.00 H new ATOM 399 N ALA A 31 -7.914 9.112 -1.648 1.00 0.00 N ATOM 400 CA ALA A 31 -8.647 7.958 -2.172 1.00 0.00 C ATOM 401 C ALA A 31 -8.622 6.792 -1.177 1.00 0.00 C ATOM 402 O ALA A 31 -7.539 6.320 -0.844 1.00 0.00 O ATOM 403 CB ALA A 31 -8.019 7.578 -3.519 1.00 0.00 C ATOM 0 H ALA A 31 -7.101 8.858 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.698 8.208 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.545 6.719 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.096 8.420 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.969 7.325 -3.372 1.00 0.00 H new ATOM 409 N GLU A 32 -9.774 6.355 -0.659 1.00 0.00 N ATOM 410 CA GLU A 32 -9.896 5.212 0.248 1.00 0.00 C ATOM 411 C GLU A 32 -9.598 3.907 -0.498 1.00 0.00 C ATOM 412 O GLU A 32 -9.835 3.805 -1.700 1.00 0.00 O ATOM 413 CB GLU A 32 -11.329 5.169 0.823 1.00 0.00 C ATOM 414 CG GLU A 32 -11.438 5.312 2.345 1.00 0.00 C ATOM 415 CD GLU A 32 -10.581 4.384 3.215 1.00 0.00 C ATOM 416 OE1 GLU A 32 -10.087 3.354 2.724 1.00 0.00 O ATOM 417 OE2 GLU A 32 -10.380 4.721 4.407 1.00 0.00 O ATOM 0 H GLU A 32 -10.669 6.798 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.177 5.321 1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.911 5.965 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.790 4.225 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.186 6.340 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.481 5.161 2.621 1.00 0.00 H new ATOM 424 N VAL A 33 -9.163 2.875 0.214 1.00 0.00 N ATOM 425 CA VAL A 33 -8.850 1.554 -0.279 1.00 0.00 C ATOM 426 C VAL A 33 -9.500 0.579 0.686 1.00 0.00 C ATOM 427 O VAL A 33 -8.958 0.358 1.760 1.00 0.00 O ATOM 428 CB VAL A 33 -7.323 1.364 -0.338 1.00 0.00 C ATOM 429 CG1 VAL A 33 -6.979 0.025 -0.978 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.673 2.429 -1.204 1.00 0.00 C ATOM 0 H VAL A 33 -9.012 2.952 1.220 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.224 1.394 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.959 1.423 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.896 -0.094 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.414 -0.782 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.380 -0.008 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.595 2.271 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.071 2.367 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.886 3.415 -0.790 1.00 0.00 H new ATOM 440 N HIS A 34 -10.628 -0.022 0.307 1.00 0.00 N ATOM 441 CA HIS A 34 -11.260 -1.059 1.140 1.00 0.00 C ATOM 442 C HIS A 34 -10.759 -2.442 0.726 1.00 0.00 C ATOM 443 O HIS A 34 -10.398 -2.634 -0.437 1.00 0.00 O ATOM 444 CB HIS A 34 -12.794 -1.009 1.056 1.00 0.00 C ATOM 445 CG HIS A 34 -13.414 0.144 1.817 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.280 0.007 2.884 1.00 0.00 N ATOM 447 CD2 HIS A 34 -13.198 1.488 1.630 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.589 1.238 3.320 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.978 2.170 2.572 1.00 0.00 N ATOM 0 H HIS A 34 -11.123 0.185 -0.561 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.980 -0.863 2.175 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -13.088 -0.940 0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.200 -1.945 1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.547 1.935 0.893 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.239 1.449 4.156 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.065 3.181 2.671 1.00 0.00 H new ATOM 457 N TRP A 35 -10.778 -3.420 1.630 1.00 0.00 N ATOM 458 CA TRP A 35 -10.491 -4.825 1.356 1.00 0.00 C ATOM 459 C TRP A 35 -11.260 -5.722 2.336 1.00 0.00 C ATOM 460 O TRP A 35 -12.012 -5.230 3.185 1.00 0.00 O ATOM 461 CB TRP A 35 -8.970 -5.041 1.373 1.00 0.00 C ATOM 462 CG TRP A 35 -8.222 -4.703 2.631 1.00 0.00 C ATOM 463 CD1 TRP A 35 -8.071 -5.520 3.698 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.479 -3.486 2.960 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.284 -4.907 4.650 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.874 -3.661 4.239 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.248 -2.250 2.318 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.069 -2.681 4.835 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.455 -1.251 2.913 1.00 0.00 C ATOM 470 CH2 TRP A 35 -5.851 -1.468 4.160 1.00 0.00 C ATOM 0 H TRP A 35 -11.002 -3.248 2.610 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.838 -5.107 0.362 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.779 -6.089 1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.541 -4.453 0.562 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.503 -6.506 3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.037 -5.326 5.547 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.689 -2.067 1.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.621 -2.856 5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.310 -0.309 2.405 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.222 -0.707 4.599 1.00 0.00 H new ATOM 481 N ASP A 36 -11.147 -7.044 2.192 1.00 0.00 N ATOM 482 CA ASP A 36 -11.759 -8.021 3.104 1.00 0.00 C ATOM 483 C ASP A 36 -10.756 -8.404 4.197 1.00 0.00 C ATOM 484 O ASP A 36 -9.583 -8.626 3.879 1.00 0.00 O ATOM 485 CB ASP A 36 -12.106 -9.321 2.366 1.00 0.00 C ATOM 486 CG ASP A 36 -13.359 -9.258 1.507 1.00 0.00 C ATOM 487 OD1 ASP A 36 -14.426 -8.885 2.045 1.00 0.00 O ATOM 488 OD2 ASP A 36 -13.261 -9.527 0.292 1.00 0.00 O ATOM 0 H ASP A 36 -10.622 -7.474 1.431 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.657 -7.561 3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.263 -9.598 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.227 -10.117 3.101 1.00 0.00 H new ATOM 493 N PRO A 37 -11.187 -8.606 5.454 1.00 0.00 N ATOM 494 CA PRO A 37 -10.329 -9.108 6.525 1.00 0.00 C ATOM 495 C PRO A 37 -9.922 -10.556 6.224 1.00 0.00 C ATOM 496 O PRO A 37 -10.795 -11.401 6.008 1.00 0.00 O ATOM 497 CB PRO A 37 -11.174 -9.005 7.800 1.00 0.00 C ATOM 498 CG PRO A 37 -12.621 -9.075 7.300 1.00 0.00 C ATOM 499 CD PRO A 37 -12.568 -8.486 5.896 1.00 0.00 C ATOM 0 HA PRO A 37 -9.403 -8.542 6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.952 -9.818 8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.981 -8.073 8.331 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.987 -10.102 7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.292 -8.506 7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.239 -9.021 5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.886 -7.443 5.900 1.00 0.00 H new ATOM 507 N VAL A 38 -8.623 -10.860 6.154 1.00 0.00 N ATOM 508 CA VAL A 38 -8.168 -12.242 5.960 1.00 0.00 C ATOM 509 C VAL A 38 -8.414 -13.071 7.229 1.00 0.00 C ATOM 510 O VAL A 38 -8.600 -12.496 8.307 1.00 0.00 O ATOM 511 CB VAL A 38 -6.682 -12.298 5.559 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.434 -11.780 4.157 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.775 -11.506 6.487 1.00 0.00 C ATOM 0 H VAL A 38 -7.872 -10.174 6.228 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.748 -12.670 5.142 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.441 -13.359 5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.370 -11.843 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.995 -12.382 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.758 -10.742 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.743 -11.589 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.075 -10.458 6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.855 -11.902 7.499 1.00 0.00 H new ATOM 523 N PRO A 39 -8.360 -14.411 7.155 1.00 0.00 N ATOM 524 CA PRO A 39 -8.334 -15.250 8.337 1.00 0.00 C ATOM 525 C PRO A 39 -7.045 -14.984 9.112 1.00 0.00 C ATOM 526 O PRO A 39 -5.966 -14.960 8.508 1.00 0.00 O ATOM 527 CB PRO A 39 -8.375 -16.702 7.830 1.00 0.00 C ATOM 528 CG PRO A 39 -8.689 -16.604 6.337 1.00 0.00 C ATOM 529 CD PRO A 39 -8.176 -15.219 5.965 1.00 0.00 C ATOM 0 HA PRO A 39 -9.172 -15.050 9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.422 -17.204 7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.136 -17.279 8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.187 -17.386 5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.757 -16.704 6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.127 -15.254 5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.730 -14.808 5.121 1.00 0.00 H new ATOM 537 N LEU A 40 -7.121 -14.917 10.446 1.00 0.00 N ATOM 538 CA LEU A 40 -5.927 -14.967 11.303 1.00 0.00 C ATOM 539 C LEU A 40 -5.066 -16.194 10.984 1.00 0.00 C ATOM 540 O LEU A 40 -3.839 -16.116 11.032 1.00 0.00 O ATOM 541 CB LEU A 40 -6.299 -14.916 12.790 1.00 0.00 C ATOM 542 CG LEU A 40 -6.211 -13.484 13.357 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.543 -12.735 13.365 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.682 -13.569 14.778 1.00 0.00 C ATOM 0 H LEU A 40 -7.999 -14.828 10.958 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.331 -14.080 11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.311 -15.298 12.924 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.634 -15.571 13.353 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.548 -12.919 12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.397 -11.737 13.778 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.921 -12.654 12.346 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.263 -13.279 13.977 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.611 -12.567 15.200 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.360 -14.171 15.383 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.695 -14.031 14.772 1.00 0.00 H new ATOM 556 N LYS A 41 -5.700 -17.289 10.554 1.00 0.00 N ATOM 557 CA LYS A 41 -5.051 -18.500 10.076 1.00 0.00 C ATOM 558 C LYS A 41 -3.997 -18.173 9.027 1.00 0.00 C ATOM 559 O LYS A 41 -2.881 -18.668 9.111 1.00 0.00 O ATOM 560 CB LYS A 41 -6.117 -19.455 9.509 1.00 0.00 C ATOM 561 CG LYS A 41 -5.715 -20.932 9.609 1.00 0.00 C ATOM 562 CD LYS A 41 -6.094 -21.534 10.968 1.00 0.00 C ATOM 563 CE LYS A 41 -6.130 -23.066 10.910 1.00 0.00 C ATOM 564 NZ LYS A 41 -4.789 -23.669 10.791 1.00 0.00 N ATOM 0 H LYS A 41 -6.718 -17.352 10.531 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.542 -18.987 10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.054 -19.303 10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.302 -19.205 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.201 -21.496 8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.640 -21.027 9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.376 -21.214 11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.069 -21.157 11.276 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.615 -23.447 11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.739 -23.378 10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.876 -24.705 10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.332 -23.330 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.212 -23.397 11.613 1.00 0.00 H new ATOM 578 N SER A 42 -4.331 -17.330 8.048 1.00 0.00 N ATOM 579 CA SER A 42 -3.417 -16.987 6.971 1.00 0.00 C ATOM 580 C SER A 42 -2.276 -16.093 7.451 1.00 0.00 C ATOM 581 O SER A 42 -1.187 -16.149 6.886 1.00 0.00 O ATOM 582 CB SER A 42 -4.185 -16.323 5.833 1.00 0.00 C ATOM 583 OG SER A 42 -4.611 -15.021 6.179 1.00 0.00 O ATOM 0 H SER A 42 -5.240 -16.871 7.985 1.00 0.00 H new ATOM 0 HA SER A 42 -2.964 -17.910 6.608 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.553 -16.275 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.051 -16.932 5.574 1.00 0.00 H new ATOM 0 HG SER A 42 -5.098 -15.051 7.029 1.00 0.00 H new ATOM 589 N ILE A 43 -2.507 -15.272 8.479 1.00 0.00 N ATOM 590 CA ILE A 43 -1.490 -14.409 9.069 1.00 0.00 C ATOM 591 C ILE A 43 -0.509 -15.261 9.893 1.00 0.00 C ATOM 592 O ILE A 43 0.619 -14.821 10.138 1.00 0.00 O ATOM 593 CB ILE A 43 -2.177 -13.298 9.904 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.142 -12.465 9.021 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.111 -12.378 10.534 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.119 -11.588 9.813 1.00 0.00 C ATOM 0 H ILE A 43 -3.419 -15.190 8.928 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.907 -13.912 8.293 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.757 -13.770 10.697 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.554 -11.829 8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.712 -13.143 8.386 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.602 -11.600 11.119 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.462 -12.965 11.183 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.516 -11.918 9.745 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.758 -11.039 9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.736 -12.218 10.454 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.559 -10.883 10.427 1.00 0.00 H new ATOM 608 N ARG A 44 -0.924 -16.473 10.290 1.00 0.00 N ATOM 609 CA ARG A 44 -0.214 -17.403 11.160 1.00 0.00 C ATOM 610 C ARG A 44 0.359 -16.668 12.372 1.00 0.00 C ATOM 611 O ARG A 44 1.572 -16.659 12.582 1.00 0.00 O ATOM 612 CB ARG A 44 0.837 -18.207 10.384 1.00 0.00 C ATOM 613 CG ARG A 44 0.210 -19.093 9.301 1.00 0.00 C ATOM 614 CD ARG A 44 1.178 -20.126 8.721 1.00 0.00 C ATOM 615 NE ARG A 44 2.035 -19.577 7.658 1.00 0.00 N ATOM 616 CZ ARG A 44 2.861 -20.226 6.826 1.00 0.00 C ATOM 617 NH1 ARG A 44 3.133 -21.518 6.994 1.00 0.00 N ATOM 618 NH2 ARG A 44 3.420 -19.568 5.818 1.00 0.00 N ATOM 0 H ARG A 44 -1.824 -16.847 9.989 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.922 -18.138 11.543 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.548 -17.521 9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.400 -18.830 11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.652 -19.611 9.721 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.160 -18.460 8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.806 -20.517 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.609 -20.966 8.324 1.00 0.00 H new ATOM 0 HE ARG A 44 1.995 -18.565 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.710 -22.032 7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.764 -21.994 6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.219 -18.577 5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.050 -20.053 5.179 1.00 0.00 H new ATOM 632 N GLY A 45 -0.487 -15.988 13.148 1.00 0.00 N ATOM 633 CA GLY A 45 -0.088 -15.366 14.406 1.00 0.00 C ATOM 634 C GLY A 45 -0.744 -14.007 14.586 1.00 0.00 C ATOM 635 O GLY A 45 -1.927 -13.967 14.933 1.00 0.00 O ATOM 0 H GLY A 45 -1.472 -15.854 12.918 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.361 -16.016 15.237 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.996 -15.254 14.431 1.00 0.00 H new ATOM 639 N HIS A 46 -0.006 -12.916 14.356 1.00 0.00 N ATOM 640 CA HIS A 46 -0.371 -11.568 14.788 1.00 0.00 C ATOM 641 C HIS A 46 -0.069 -10.558 13.680 1.00 0.00 C ATOM 642 O HIS A 46 1.071 -10.426 13.228 1.00 0.00 O ATOM 643 CB HIS A 46 0.339 -11.191 16.103 1.00 0.00 C ATOM 644 CG HIS A 46 0.595 -12.351 17.034 1.00 0.00 C ATOM 645 ND1 HIS A 46 1.739 -13.116 17.066 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.295 -12.893 17.924 1.00 0.00 C ATOM 647 CE1 HIS A 46 1.536 -14.113 17.938 1.00 0.00 C ATOM 648 NE2 HIS A 46 0.322 -14.010 18.501 1.00 0.00 N ATOM 0 H HIS A 46 0.881 -12.949 13.853 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.443 -11.548 14.985 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.291 -10.717 15.864 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.264 -10.449 16.626 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.288 -12.527 18.140 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.251 -14.892 18.158 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.074 -14.626 19.211 1.00 0.00 H new ATOM 656 N LEU A 47 -1.112 -9.872 13.219 1.00 0.00 N ATOM 657 CA LEU A 47 -1.057 -8.839 12.197 1.00 0.00 C ATOM 658 C LEU A 47 -0.258 -7.651 12.729 1.00 0.00 C ATOM 659 O LEU A 47 -0.625 -7.087 13.759 1.00 0.00 O ATOM 660 CB LEU A 47 -2.499 -8.409 11.885 1.00 0.00 C ATOM 661 CG LEU A 47 -2.605 -7.393 10.736 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.391 -8.026 9.358 1.00 0.00 C ATOM 663 CD2 LEU A 47 -3.981 -6.742 10.784 1.00 0.00 C ATOM 0 H LEU A 47 -2.058 -10.031 13.565 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.574 -9.209 11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.086 -9.292 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.942 -7.977 12.782 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.814 -6.656 10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.478 -7.259 8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.398 -8.474 9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.144 -8.796 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.070 -6.018 9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.750 -7.507 10.673 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.110 -6.234 11.740 1.00 0.00 H new ATOM 675 N GLN A 48 0.787 -7.231 12.018 1.00 0.00 N ATOM 676 CA GLN A 48 1.515 -5.996 12.326 1.00 0.00 C ATOM 677 C GLN A 48 0.973 -4.799 11.545 1.00 0.00 C ATOM 678 O GLN A 48 1.269 -3.647 11.867 1.00 0.00 O ATOM 679 CB GLN A 48 3.001 -6.198 12.015 1.00 0.00 C ATOM 680 CG GLN A 48 3.702 -7.166 12.970 1.00 0.00 C ATOM 681 CD GLN A 48 3.804 -6.726 14.425 1.00 0.00 C ATOM 682 OE1 GLN A 48 3.139 -5.820 14.908 1.00 0.00 O ATOM 683 NE2 GLN A 48 4.582 -7.444 15.210 1.00 0.00 N ATOM 0 H GLN A 48 1.155 -7.736 11.212 1.00 0.00 H new ATOM 0 HA GLN A 48 1.378 -5.777 13.385 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.103 -6.570 10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.506 -5.233 12.054 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.175 -8.120 12.937 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.710 -7.346 12.596 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.141 -8.202 14.819 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.625 -7.242 16.209 1.00 0.00 H new ATOM 692 N GLY A 49 0.170 -5.075 10.524 1.00 0.00 N ATOM 693 CA GLY A 49 -0.573 -4.125 9.733 1.00 0.00 C ATOM 694 C GLY A 49 -0.719 -4.685 8.332 1.00 0.00 C ATOM 695 O GLY A 49 -0.144 -5.726 7.995 1.00 0.00 O ATOM 0 H GLY A 49 0.017 -6.034 10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.553 -3.947 10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.056 -3.166 9.707 1.00 0.00 H new ATOM 699 N TYR A 50 -1.445 -3.962 7.499 1.00 0.00 N ATOM 700 CA TYR A 50 -1.479 -4.207 6.065 1.00 0.00 C ATOM 701 C TYR A 50 -0.534 -3.184 5.407 1.00 0.00 C ATOM 702 O TYR A 50 -0.283 -2.112 5.978 1.00 0.00 O ATOM 703 CB TYR A 50 -2.933 -4.131 5.576 1.00 0.00 C ATOM 704 CG TYR A 50 -3.882 -5.214 6.084 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.568 -5.071 7.310 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.159 -6.330 5.268 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.523 -6.025 7.704 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.101 -7.298 5.672 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.795 -7.146 6.891 1.00 0.00 C ATOM 710 OH TYR A 50 -6.755 -8.043 7.258 1.00 0.00 O ATOM 0 H TYR A 50 -2.032 -3.183 7.798 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.129 -5.203 5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.339 -3.161 5.862 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.928 -4.166 4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.358 -4.225 7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.645 -6.444 4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.053 -5.899 8.637 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.292 -8.158 5.047 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.451 -7.585 7.774 1.00 0.00 H new ATOM 720 N ARG A 51 0.066 -3.506 4.253 1.00 0.00 N ATOM 721 CA ARG A 51 0.998 -2.629 3.528 1.00 0.00 C ATOM 722 C ARG A 51 0.535 -2.505 2.076 1.00 0.00 C ATOM 723 O ARG A 51 0.643 -3.465 1.316 1.00 0.00 O ATOM 724 CB ARG A 51 2.458 -3.128 3.663 1.00 0.00 C ATOM 725 CG ARG A 51 3.479 -2.112 3.101 1.00 0.00 C ATOM 726 CD ARG A 51 4.953 -2.559 3.207 1.00 0.00 C ATOM 727 NE ARG A 51 5.475 -2.542 4.594 1.00 0.00 N ATOM 728 CZ ARG A 51 6.365 -3.399 5.130 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.846 -4.431 4.444 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.789 -3.246 6.376 1.00 0.00 N ATOM 0 H ARG A 51 -0.085 -4.401 3.787 1.00 0.00 H new ATOM 0 HA ARG A 51 0.991 -1.632 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.679 -3.319 4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.566 -4.077 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.245 -1.922 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.360 -1.167 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.049 -3.567 2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.568 -1.907 2.587 1.00 0.00 H new ATOM 0 HE ARG A 51 5.124 -1.805 5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.542 -4.591 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.519 -5.063 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.441 -2.472 6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.463 -3.902 6.769 1.00 0.00 H new ATOM 744 N ILE A 52 0.030 -1.331 1.700 1.00 0.00 N ATOM 745 CA ILE A 52 -0.235 -0.938 0.323 1.00 0.00 C ATOM 746 C ILE A 52 1.109 -0.550 -0.295 1.00 0.00 C ATOM 747 O ILE A 52 1.841 0.251 0.300 1.00 0.00 O ATOM 748 CB ILE A 52 -1.224 0.265 0.288 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.600 -0.096 0.893 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.394 0.892 -1.107 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.766 0.848 0.572 1.00 0.00 C ATOM 0 H ILE A 52 -0.213 -0.604 2.372 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.694 -1.753 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.759 1.026 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.869 -1.096 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.492 -0.146 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.097 1.723 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.430 1.257 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.775 0.141 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.673 0.484 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.536 1.848 0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.919 0.884 -0.507 1.00 0.00 H new ATOM 763 N TYR A 53 1.391 -1.039 -1.505 1.00 0.00 N ATOM 764 CA TYR A 53 2.276 -0.360 -2.448 1.00 0.00 C ATOM 765 C TYR A 53 1.431 0.282 -3.526 1.00 0.00 C ATOM 766 O TYR A 53 0.381 -0.253 -3.863 1.00 0.00 O ATOM 767 CB TYR A 53 3.277 -1.312 -3.112 1.00 0.00 C ATOM 768 CG TYR A 53 4.369 -1.838 -2.213 1.00 0.00 C ATOM 769 CD1 TYR A 53 4.073 -2.814 -1.242 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.689 -1.371 -2.375 1.00 0.00 C ATOM 771 CE1 TYR A 53 5.090 -3.299 -0.406 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.711 -1.857 -1.546 1.00 0.00 C ATOM 773 CZ TYR A 53 6.408 -2.808 -0.550 1.00 0.00 C ATOM 774 OH TYR A 53 7.387 -3.236 0.282 1.00 0.00 O ATOM 0 H TYR A 53 1.011 -1.918 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 53 2.848 0.380 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.728 -2.160 -3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.740 -0.795 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.065 -3.188 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.914 -0.639 -3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.867 -4.044 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.724 -1.505 -1.670 1.00 0.00 H new ATOM 0 HH TYR A 53 8.232 -2.800 0.044 1.00 0.00 H new ATOM 784 N TYR A 54 1.867 1.417 -4.068 1.00 0.00 N ATOM 785 CA TYR A 54 1.190 2.139 -5.124 1.00 0.00 C ATOM 786 C TYR A 54 2.170 2.990 -5.930 1.00 0.00 C ATOM 787 O TYR A 54 3.268 3.301 -5.466 1.00 0.00 O ATOM 788 CB TYR A 54 0.104 2.995 -4.471 1.00 0.00 C ATOM 789 CG TYR A 54 0.597 4.159 -3.647 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.947 3.948 -2.306 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.618 5.452 -4.192 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.305 5.037 -1.491 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.952 6.551 -3.384 1.00 0.00 C ATOM 794 CZ TYR A 54 1.279 6.350 -2.024 1.00 0.00 C ATOM 795 OH TYR A 54 1.562 7.439 -1.259 1.00 0.00 O ATOM 0 H TYR A 54 2.731 1.868 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 54 0.741 1.443 -5.832 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.550 3.379 -5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.504 2.354 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.942 2.948 -1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.377 5.602 -5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.598 4.874 -0.464 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.959 7.547 -3.801 1.00 0.00 H new ATOM 0 HH TYR A 54 1.492 8.250 -1.805 1.00 0.00 H new ATOM 805 N TRP A 55 1.796 3.355 -7.155 1.00 0.00 N ATOM 806 CA TRP A 55 2.574 4.238 -8.014 1.00 0.00 C ATOM 807 C TRP A 55 1.646 5.053 -8.914 1.00 0.00 C ATOM 808 O TRP A 55 0.485 4.683 -9.123 1.00 0.00 O ATOM 809 CB TRP A 55 3.597 3.416 -8.813 1.00 0.00 C ATOM 810 CG TRP A 55 3.092 2.215 -9.556 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.760 2.174 -10.866 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.893 0.860 -9.046 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.369 0.892 -11.202 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.422 0.041 -10.114 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.076 0.237 -7.791 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.132 -1.320 -9.932 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.782 -1.125 -7.598 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.308 -1.903 -8.667 1.00 0.00 C ATOM 0 H TRP A 55 0.927 3.038 -7.584 1.00 0.00 H new ATOM 0 HA TRP A 55 3.131 4.950 -7.405 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.074 4.081 -9.533 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.373 3.083 -8.124 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.795 3.013 -11.545 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.077 0.609 -12.137 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.450 0.819 -6.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.776 -1.915 -10.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.921 -1.574 -6.625 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.079 -2.948 -8.516 1.00 0.00 H new ATOM 829 N LYS A 56 2.158 6.149 -9.479 1.00 0.00 N ATOM 830 CA LYS A 56 1.468 6.940 -10.492 1.00 0.00 C ATOM 831 C LYS A 56 1.409 6.063 -11.736 1.00 0.00 C ATOM 832 O LYS A 56 2.417 5.440 -12.084 1.00 0.00 O ATOM 833 CB LYS A 56 2.301 8.217 -10.733 1.00 0.00 C ATOM 834 CG LYS A 56 1.717 9.261 -11.701 1.00 0.00 C ATOM 835 CD LYS A 56 0.502 9.990 -11.109 1.00 0.00 C ATOM 836 CE LYS A 56 0.287 11.418 -11.640 1.00 0.00 C ATOM 837 NZ LYS A 56 1.243 12.413 -11.111 1.00 0.00 N ATOM 0 H LYS A 56 3.079 6.515 -9.239 1.00 0.00 H new ATOM 0 HA LYS A 56 0.461 7.241 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.464 8.702 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.279 7.917 -11.108 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.487 9.990 -11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.426 8.770 -12.629 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.393 9.402 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.614 10.033 -10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.360 11.404 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.726 11.737 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.031 13.347 -11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.160 12.458 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.211 12.135 -11.369 1.00 0.00 H new ATOM 851 N THR A 57 0.278 6.008 -12.420 1.00 0.00 N ATOM 852 CA THR A 57 0.126 5.226 -13.639 1.00 0.00 C ATOM 853 C THR A 57 -0.184 6.210 -14.763 1.00 0.00 C ATOM 854 O THR A 57 -0.657 7.319 -14.512 1.00 0.00 O ATOM 855 CB THR A 57 -0.938 4.143 -13.401 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.535 3.370 -12.283 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.113 3.189 -14.577 1.00 0.00 C ATOM 0 H THR A 57 -0.567 6.508 -12.144 1.00 0.00 H new ATOM 0 HA THR A 57 1.026 4.683 -13.929 1.00 0.00 H new ATOM 0 HB THR A 57 -1.887 4.657 -13.249 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.001 2.508 -12.296 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.880 2.452 -14.337 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.415 3.752 -15.460 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.170 2.680 -14.776 1.00 0.00 H new ATOM 865 N GLN A 58 0.126 5.816 -15.997 1.00 0.00 N ATOM 866 CA GLN A 58 0.215 6.704 -17.148 1.00 0.00 C ATOM 867 C GLN A 58 1.265 7.810 -16.943 1.00 0.00 C ATOM 868 O GLN A 58 1.938 7.871 -15.906 1.00 0.00 O ATOM 869 CB GLN A 58 -1.187 7.196 -17.560 1.00 0.00 C ATOM 870 CG GLN A 58 -2.070 6.006 -17.969 1.00 0.00 C ATOM 871 CD GLN A 58 -3.258 6.404 -18.839 1.00 0.00 C ATOM 872 OE1 GLN A 58 -3.805 7.495 -18.725 1.00 0.00 O ATOM 873 NE2 GLN A 58 -3.685 5.553 -19.752 1.00 0.00 N ATOM 0 H GLN A 58 0.327 4.843 -16.227 1.00 0.00 H new ATOM 0 HA GLN A 58 0.591 6.145 -18.005 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.649 7.733 -16.732 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.104 7.899 -18.389 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.461 5.280 -18.508 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.437 5.510 -17.071 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.234 4.644 -19.852 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.466 5.804 -20.358 1.00 0.00 H new ATOM 882 N SER A 59 1.526 8.608 -17.983 1.00 0.00 N ATOM 883 CA SER A 59 2.576 9.622 -18.015 1.00 0.00 C ATOM 884 C SER A 59 2.356 10.563 -19.202 1.00 0.00 C ATOM 885 O SER A 59 2.746 10.245 -20.327 1.00 0.00 O ATOM 886 CB SER A 59 3.941 8.943 -18.166 1.00 0.00 C ATOM 887 OG SER A 59 4.348 8.296 -16.974 1.00 0.00 O ATOM 0 H SER A 59 0.993 8.562 -18.852 1.00 0.00 H new ATOM 0 HA SER A 59 2.545 10.192 -17.086 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.896 8.215 -18.976 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.686 9.687 -18.447 1.00 0.00 H new ATOM 0 HG SER A 59 3.596 8.264 -16.346 1.00 0.00 H new ATOM 893 N SER A 60 1.738 11.722 -18.967 1.00 0.00 N ATOM 894 CA SER A 60 1.511 12.750 -19.976 1.00 0.00 C ATOM 895 C SER A 60 2.842 13.392 -20.432 1.00 0.00 C ATOM 896 O SER A 60 3.235 14.450 -19.925 1.00 0.00 O ATOM 897 CB SER A 60 0.531 13.789 -19.408 1.00 0.00 C ATOM 898 OG SER A 60 -0.590 13.180 -18.783 1.00 0.00 O ATOM 0 H SER A 60 1.374 11.975 -18.048 1.00 0.00 H new ATOM 0 HA SER A 60 1.071 12.301 -20.867 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.050 14.420 -18.686 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.188 14.441 -20.212 1.00 0.00 H new ATOM 0 HG SER A 60 -1.187 13.874 -18.434 1.00 0.00 H new ATOM 904 N SER A 61 3.537 12.771 -21.390 1.00 0.00 N ATOM 905 CA SER A 61 4.874 13.091 -21.896 1.00 0.00 C ATOM 906 C SER A 61 5.952 12.876 -20.822 1.00 0.00 C ATOM 907 O SER A 61 5.751 13.147 -19.633 1.00 0.00 O ATOM 908 CB SER A 61 4.894 14.497 -22.514 1.00 0.00 C ATOM 909 OG SER A 61 6.052 14.720 -23.295 1.00 0.00 O ATOM 0 H SER A 61 3.144 11.962 -21.872 1.00 0.00 H new ATOM 0 HA SER A 61 5.122 12.395 -22.698 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.008 14.632 -23.134 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.844 15.242 -21.720 1.00 0.00 H new ATOM 0 HG SER A 61 6.024 15.625 -23.671 1.00 0.00 H new ATOM 915 N LYS A 62 7.117 12.359 -21.228 1.00 0.00 N ATOM 916 CA LYS A 62 8.069 11.692 -20.334 1.00 0.00 C ATOM 917 C LYS A 62 9.517 12.055 -20.647 1.00 0.00 C ATOM 918 O LYS A 62 10.253 11.256 -21.227 1.00 0.00 O ATOM 919 CB LYS A 62 7.805 10.182 -20.313 1.00 0.00 C ATOM 920 CG LYS A 62 7.793 9.498 -21.692 1.00 0.00 C ATOM 921 CD LYS A 62 6.717 8.414 -21.736 1.00 0.00 C ATOM 922 CE LYS A 62 7.177 7.123 -21.048 1.00 0.00 C ATOM 923 NZ LYS A 62 6.695 6.984 -19.657 1.00 0.00 N ATOM 0 H LYS A 62 7.429 12.393 -22.199 1.00 0.00 H new ATOM 0 HA LYS A 62 7.907 12.061 -19.321 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.566 9.705 -19.696 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.845 10.004 -19.829 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.606 10.237 -22.471 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.770 9.059 -21.897 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.812 8.781 -21.252 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.459 8.200 -22.773 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.830 6.269 -21.630 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.266 7.089 -21.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.044 6.090 -19.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.046 7.780 -19.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.655 6.984 -19.648 1.00 0.00 H new ATOM 937 N ARG A 63 9.953 13.258 -20.271 1.00 0.00 N ATOM 938 CA ARG A 63 11.339 13.678 -20.477 1.00 0.00 C ATOM 939 C ARG A 63 12.283 12.878 -19.569 1.00 0.00 C ATOM 940 O ARG A 63 12.346 13.162 -18.374 1.00 0.00 O ATOM 941 CB ARG A 63 11.495 15.194 -20.256 1.00 0.00 C ATOM 942 CG ARG A 63 10.941 16.029 -21.420 1.00 0.00 C ATOM 943 CD ARG A 63 11.371 17.504 -21.327 1.00 0.00 C ATOM 944 NE ARG A 63 11.209 18.171 -22.630 1.00 0.00 N ATOM 945 CZ ARG A 63 10.504 19.278 -22.899 1.00 0.00 C ATOM 946 NH1 ARG A 63 10.080 20.092 -21.937 1.00 0.00 N ATOM 947 NH2 ARG A 63 10.228 19.572 -24.160 1.00 0.00 N ATOM 0 H ARG A 63 9.365 13.960 -19.821 1.00 0.00 H new ATOM 0 HA ARG A 63 11.612 13.470 -21.512 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.982 15.476 -19.337 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.550 15.429 -20.117 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.287 15.609 -22.364 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.853 15.968 -21.424 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.774 18.016 -20.573 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.411 17.566 -21.007 1.00 0.00 H new ATOM 0 HE ARG A 63 11.690 17.740 -23.420 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.290 19.881 -20.961 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.545 20.927 -22.175 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.551 18.960 -24.909 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.692 20.411 -24.383 1.00 0.00 H new ATOM 961 N ASN A 64 13.032 11.936 -20.154 1.00 0.00 N ATOM 962 CA ASN A 64 14.132 11.138 -19.584 1.00 0.00 C ATOM 963 C ASN A 64 13.876 10.627 -18.157 1.00 0.00 C ATOM 964 O ASN A 64 14.417 11.133 -17.172 1.00 0.00 O ATOM 965 CB ASN A 64 15.491 11.864 -19.750 1.00 0.00 C ATOM 966 CG ASN A 64 16.441 11.138 -20.699 1.00 0.00 C ATOM 967 OD1 ASN A 64 16.045 10.631 -21.745 1.00 0.00 O ATOM 968 ND2 ASN A 64 17.728 11.097 -20.412 1.00 0.00 N ATOM 0 H ASN A 64 12.871 11.687 -21.130 1.00 0.00 H new ATOM 0 HA ASN A 64 14.181 10.221 -20.172 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.315 12.873 -20.122 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.966 11.963 -18.774 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.380 10.648 -21.055 1.00 0.00 H new ATOM 0 HD22 ASN A 64 18.071 11.514 -19.547 1.00 0.00 H new ATOM 975 N ARG A 65 13.056 9.582 -18.040 1.00 0.00 N ATOM 976 CA ARG A 65 12.791 8.899 -16.774 1.00 0.00 C ATOM 977 C ARG A 65 13.919 7.943 -16.399 1.00 0.00 C ATOM 978 O ARG A 65 14.553 7.349 -17.280 1.00 0.00 O ATOM 979 CB ARG A 65 11.481 8.111 -16.905 1.00 0.00 C ATOM 980 CG ARG A 65 10.259 9.027 -16.788 1.00 0.00 C ATOM 981 CD ARG A 65 9.930 9.272 -15.309 1.00 0.00 C ATOM 982 NE ARG A 65 9.193 10.523 -15.089 1.00 0.00 N ATOM 983 CZ ARG A 65 9.170 11.199 -13.935 1.00 0.00 C ATOM 984 NH1 ARG A 65 9.580 10.637 -12.805 1.00 0.00 N ATOM 985 NH2 ARG A 65 8.746 12.451 -13.891 1.00 0.00 N ATOM 0 H ARG A 65 12.552 9.182 -18.831 1.00 0.00 H new ATOM 0 HA ARG A 65 12.716 9.650 -15.988 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.460 7.596 -17.865 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.438 7.345 -16.131 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.455 9.975 -17.288 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.404 8.573 -17.289 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.341 8.437 -14.930 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.856 9.296 -14.735 1.00 0.00 H new ATOM 0 HE ARG A 65 8.661 10.903 -15.872 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.919 9.675 -12.808 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.556 11.167 -11.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.431 12.913 -14.744 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.734 12.954 -13.004 1.00 0.00 H new ATOM 999 N ARG A 66 14.100 7.716 -15.093 1.00 0.00 N ATOM 1000 CA ARG A 66 14.895 6.610 -14.558 1.00 0.00 C ATOM 1001 C ARG A 66 14.011 5.358 -14.452 1.00 0.00 C ATOM 1002 O ARG A 66 13.797 4.699 -15.472 1.00 0.00 O ATOM 1003 CB ARG A 66 15.593 7.021 -13.246 1.00 0.00 C ATOM 1004 CG ARG A 66 16.596 8.171 -13.470 1.00 0.00 C ATOM 1005 CD ARG A 66 17.762 8.112 -12.477 1.00 0.00 C ATOM 1006 NE ARG A 66 18.726 9.200 -12.695 1.00 0.00 N ATOM 1007 CZ ARG A 66 19.993 9.230 -12.258 1.00 0.00 C ATOM 1008 NH1 ARG A 66 20.487 8.276 -11.471 1.00 0.00 N ATOM 1009 NH2 ARG A 66 20.775 10.240 -12.621 1.00 0.00 N ATOM 0 H ARG A 66 13.691 8.306 -14.369 1.00 0.00 H new ATOM 0 HA ARG A 66 15.710 6.356 -15.236 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.844 7.328 -12.516 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.114 6.161 -12.826 1.00 0.00 H new ATOM 0 HG2 ARG A 66 16.983 8.123 -14.488 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.081 9.127 -13.370 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.375 8.169 -11.460 1.00 0.00 H new ATOM 0 HD3 ARG A 66 18.271 7.153 -12.571 1.00 0.00 H new ATOM 0 HE ARG A 66 18.401 10.007 -13.228 1.00 0.00 H new ATOM 0 HH11 ARG A 66 19.897 7.495 -11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.455 8.327 -11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.409 10.977 -13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 66 21.742 10.278 -12.297 1.00 0.00 H new ATOM 1023 N HIS A 67 13.501 5.015 -13.268 1.00 0.00 N ATOM 1024 CA HIS A 67 12.527 3.946 -13.027 1.00 0.00 C ATOM 1025 C HIS A 67 11.302 4.566 -12.349 1.00 0.00 C ATOM 1026 O HIS A 67 11.301 5.747 -11.990 1.00 0.00 O ATOM 1027 CB HIS A 67 13.146 2.814 -12.179 1.00 0.00 C ATOM 1028 CG HIS A 67 14.081 1.865 -12.894 1.00 0.00 C ATOM 1029 ND1 HIS A 67 14.065 0.493 -12.760 1.00 0.00 N ATOM 1030 CD2 HIS A 67 15.127 2.181 -13.720 1.00 0.00 C ATOM 1031 CE1 HIS A 67 15.068 -0.012 -13.493 1.00 0.00 C ATOM 1032 NE2 HIS A 67 15.720 0.980 -14.124 1.00 0.00 N ATOM 0 H HIS A 67 13.768 5.497 -12.410 1.00 0.00 H new ATOM 0 HA HIS A 67 12.225 3.490 -13.970 1.00 0.00 H new ATOM 0 HB2 HIS A 67 13.690 3.268 -11.350 1.00 0.00 H new ATOM 0 HB3 HIS A 67 12.334 2.230 -11.746 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.437 3.175 -14.007 1.00 0.00 H new ATOM 0 HE1 HIS A 67 15.315 -1.061 -13.566 1.00 0.00 H new ATOM 0 HE2 HIS A 67 16.499 0.877 -14.774 1.00 0.00 H new ATOM 1040 N ILE A 68 10.224 3.795 -12.232 1.00 0.00 N ATOM 1041 CA ILE A 68 8.985 4.202 -11.591 1.00 0.00 C ATOM 1042 C ILE A 68 9.195 4.104 -10.078 1.00 0.00 C ATOM 1043 O ILE A 68 9.640 3.074 -9.566 1.00 0.00 O ATOM 1044 CB ILE A 68 7.832 3.297 -12.076 1.00 0.00 C ATOM 1045 CG1 ILE A 68 7.607 3.436 -13.600 1.00 0.00 C ATOM 1046 CG2 ILE A 68 6.538 3.629 -11.301 1.00 0.00 C ATOM 1047 CD1 ILE A 68 6.626 2.409 -14.178 1.00 0.00 C ATOM 0 H ILE A 68 10.192 2.842 -12.593 1.00 0.00 H new ATOM 0 HA ILE A 68 8.717 5.227 -11.848 1.00 0.00 H new ATOM 0 HB ILE A 68 8.107 2.261 -11.879 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.236 4.439 -13.813 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.565 3.336 -14.110 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.730 2.986 -11.650 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.699 3.464 -10.236 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.270 4.672 -11.470 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.520 2.570 -15.251 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.005 1.403 -13.998 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.655 2.523 -13.697 1.00 0.00 H new ATOM 1059 N GLU A 69 8.838 5.156 -9.345 1.00 0.00 N ATOM 1060 CA GLU A 69 8.734 5.124 -7.905 1.00 0.00 C ATOM 1061 C GLU A 69 7.542 4.246 -7.523 1.00 0.00 C ATOM 1062 O GLU A 69 6.427 4.490 -7.984 1.00 0.00 O ATOM 1063 CB GLU A 69 8.522 6.564 -7.449 1.00 0.00 C ATOM 1064 CG GLU A 69 8.300 6.711 -5.945 1.00 0.00 C ATOM 1065 CD GLU A 69 9.607 6.677 -5.154 1.00 0.00 C ATOM 1066 OE1 GLU A 69 10.290 5.630 -5.206 1.00 0.00 O ATOM 1067 OE2 GLU A 69 9.962 7.714 -4.540 1.00 0.00 O ATOM 0 H GLU A 69 8.611 6.064 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 69 9.626 4.711 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.389 7.158 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.662 6.979 -7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.784 7.651 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.648 5.910 -5.597 1.00 0.00 H new ATOM 1074 N LYS A 70 7.768 3.260 -6.658 1.00 0.00 N ATOM 1075 CA LYS A 70 6.729 2.499 -5.974 1.00 0.00 C ATOM 1076 C LYS A 70 6.728 3.008 -4.543 1.00 0.00 C ATOM 1077 O LYS A 70 7.666 2.737 -3.790 1.00 0.00 O ATOM 1078 CB LYS A 70 6.961 0.982 -6.081 1.00 0.00 C ATOM 1079 CG LYS A 70 6.724 0.497 -7.521 1.00 0.00 C ATOM 1080 CD LYS A 70 6.723 -1.035 -7.625 1.00 0.00 C ATOM 1081 CE LYS A 70 6.260 -1.437 -9.029 1.00 0.00 C ATOM 1082 NZ LYS A 70 6.354 -2.887 -9.285 1.00 0.00 N ATOM 0 H LYS A 70 8.710 2.960 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 70 5.751 2.645 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.979 0.742 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.291 0.457 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.771 0.884 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.499 0.903 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.722 -1.427 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.061 -1.463 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.227 -1.117 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.860 -0.906 -9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.026 -3.091 -10.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.342 -3.194 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.760 -3.399 -8.602 1.00 0.00 H new ATOM 1096 N LYS A 71 5.739 3.843 -4.237 1.00 0.00 N ATOM 1097 CA LYS A 71 5.467 4.429 -2.944 1.00 0.00 C ATOM 1098 C LYS A 71 4.770 3.398 -2.056 1.00 0.00 C ATOM 1099 O LYS A 71 4.201 2.422 -2.560 1.00 0.00 O ATOM 1100 CB LYS A 71 4.615 5.680 -3.187 1.00 0.00 C ATOM 1101 CG LYS A 71 4.926 6.761 -2.148 1.00 0.00 C ATOM 1102 CD LYS A 71 4.484 8.131 -2.657 1.00 0.00 C ATOM 1103 CE LYS A 71 4.754 9.253 -1.642 1.00 0.00 C ATOM 1104 NZ LYS A 71 3.925 10.462 -1.875 1.00 0.00 N ATOM 0 H LYS A 71 5.064 4.144 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 71 6.378 4.721 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.806 6.066 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.558 5.420 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.417 6.532 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.995 6.773 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.006 8.355 -3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.419 8.103 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.564 8.878 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.808 9.528 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.152 11.182 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.123 10.841 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.918 10.211 -1.806 1.00 0.00 H new ATOM 1118 N ILE A 72 4.792 3.614 -0.743 1.00 0.00 N ATOM 1119 CA ILE A 72 4.267 2.682 0.254 1.00 0.00 C ATOM 1120 C ILE A 72 3.351 3.460 1.197 1.00 0.00 C ATOM 1121 O ILE A 72 3.491 4.675 1.346 1.00 0.00 O ATOM 1122 CB ILE A 72 5.447 1.986 0.981 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.289 1.150 -0.013 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.001 1.059 2.126 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.635 1.794 -0.335 1.00 0.00 C ATOM 0 H ILE A 72 5.184 4.461 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 72 3.676 1.889 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 72 6.038 2.795 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.457 0.158 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.725 1.016 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.877 0.606 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.455 1.638 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.355 0.276 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.182 1.164 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.472 2.775 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.214 1.904 0.582 1.00 0.00 H new ATOM 1137 N LEU A 73 2.409 2.773 1.841 1.00 0.00 N ATOM 1138 CA LEU A 73 1.579 3.294 2.926 1.00 0.00 C ATOM 1139 C LEU A 73 1.556 2.282 4.055 1.00 0.00 C ATOM 1140 O LEU A 73 1.833 1.093 3.856 1.00 0.00 O ATOM 1141 CB LEU A 73 0.154 3.538 2.431 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.047 4.965 1.944 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -1.171 4.937 0.944 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.419 5.996 2.996 1.00 0.00 C ATOM 0 H LEU A 73 2.195 1.802 1.613 1.00 0.00 H new ATOM 0 HA LEU A 73 1.994 4.239 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.072 2.844 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.550 3.328 3.236 1.00 0.00 H new ATOM 0 HG LEU A 73 0.921 5.278 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.349 5.945 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.904 4.282 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.076 4.564 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.534 6.972 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.358 5.709 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.367 6.047 3.749 1.00 0.00 H new ATOM 1156 N THR A 74 1.095 2.702 5.227 1.00 0.00 N ATOM 1157 CA THR A 74 1.229 1.905 6.438 1.00 0.00 C ATOM 1158 C THR A 74 -0.065 1.978 7.248 1.00 0.00 C ATOM 1159 O THR A 74 -0.321 3.003 7.876 1.00 0.00 O ATOM 1160 CB THR A 74 2.456 2.429 7.204 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.602 2.469 6.366 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.763 1.602 8.445 1.00 0.00 C ATOM 0 H THR A 74 0.623 3.596 5.363 1.00 0.00 H new ATOM 0 HA THR A 74 1.388 0.850 6.217 1.00 0.00 H new ATOM 0 HB THR A 74 2.207 3.440 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.368 2.807 6.875 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.637 2.013 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.908 1.629 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.963 0.571 8.155 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.881 0.918 7.251 1.00 0.00 N ATOM 1171 CA PHE A 75 -2.092 0.855 8.069 1.00 0.00 C ATOM 1172 C PHE A 75 -1.915 -0.283 9.060 1.00 0.00 C ATOM 1173 O PHE A 75 -2.107 -1.454 8.729 1.00 0.00 O ATOM 1174 CB PHE A 75 -3.355 0.731 7.205 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.453 1.828 6.165 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.608 3.167 6.567 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -3.255 1.525 4.806 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.526 4.195 5.615 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -3.106 2.557 3.866 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.264 3.884 4.273 1.00 0.00 C ATOM 0 H PHE A 75 -0.719 0.083 6.687 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.236 1.783 8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.358 -0.239 6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.236 0.763 7.847 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.790 3.403 7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.217 0.495 4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.664 5.223 5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.871 2.327 2.837 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.184 4.679 3.546 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.414 0.052 10.247 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.349 -0.866 11.365 1.00 0.00 C ATOM 1192 C GLN A 76 -2.750 -1.085 11.936 1.00 0.00 C ATOM 1193 O GLN A 76 -3.676 -0.312 11.686 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.426 -0.258 12.431 1.00 0.00 C ATOM 1195 CG GLN A 76 1.020 -0.109 11.920 1.00 0.00 C ATOM 1196 CD GLN A 76 1.682 1.239 12.221 1.00 0.00 C ATOM 1197 OE1 GLN A 76 1.194 2.056 12.997 1.00 0.00 O ATOM 1198 NE2 GLN A 76 2.788 1.546 11.563 1.00 0.00 N ATOM 0 H GLN A 76 -1.040 0.978 10.454 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.957 -1.831 11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.809 0.718 12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.434 -0.888 13.320 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.627 -0.900 12.360 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.025 -0.266 10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.200 0.873 10.916 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.229 2.455 11.702 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.871 -2.101 12.779 1.00 0.00 N ATOM 1208 CA GLY A 77 -4.130 -2.545 13.348 1.00 0.00 C ATOM 1209 C GLY A 77 -4.885 -3.426 12.360 1.00 0.00 C ATOM 1210 O GLY A 77 -4.509 -3.583 11.200 1.00 0.00 O ATOM 0 H GLY A 77 -2.072 -2.652 13.093 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.944 -3.099 14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.740 -1.681 13.613 1.00 0.00 H new ATOM 1214 N SER A 78 -5.984 -3.999 12.832 1.00 0.00 N ATOM 1215 CA SER A 78 -6.831 -4.971 12.148 1.00 0.00 C ATOM 1216 C SER A 78 -7.706 -4.388 11.033 1.00 0.00 C ATOM 1217 O SER A 78 -8.647 -5.049 10.586 1.00 0.00 O ATOM 1218 CB SER A 78 -7.686 -5.611 13.248 1.00 0.00 C ATOM 1219 OG SER A 78 -8.291 -4.613 14.067 1.00 0.00 O ATOM 0 H SER A 78 -6.332 -3.783 13.766 1.00 0.00 H new ATOM 0 HA SER A 78 -6.203 -5.691 11.623 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.458 -6.235 12.798 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.066 -6.265 13.862 1.00 0.00 H new ATOM 0 HG SER A 78 -8.833 -5.044 14.761 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.457 -3.142 10.638 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.341 -2.355 9.794 1.00 0.00 C ATOM 1227 C LYS A 79 -8.454 -3.002 8.416 1.00 0.00 C ATOM 1228 O LYS A 79 -7.562 -3.717 7.958 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.803 -0.917 9.675 1.00 0.00 C ATOM 1230 CG LYS A 79 -8.005 -0.014 10.898 1.00 0.00 C ATOM 1231 CD LYS A 79 -7.208 -0.482 12.121 1.00 0.00 C ATOM 1232 CE LYS A 79 -7.120 0.569 13.226 1.00 0.00 C ATOM 1233 NZ LYS A 79 -8.426 0.832 13.863 1.00 0.00 N ATOM 0 H LYS A 79 -6.610 -2.641 10.906 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.334 -2.320 10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.736 -0.967 9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.280 -0.443 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.709 1.004 10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.065 0.016 11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.670 -1.384 12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.200 -0.753 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.411 0.236 13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.729 1.497 12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.312 1.552 14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.098 1.176 13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.789 -0.046 14.286 1.00 0.00 H new ATOM 1247 N THR A 80 -9.555 -2.702 7.743 1.00 0.00 N ATOM 1248 CA THR A 80 -9.915 -3.241 6.442 1.00 0.00 C ATOM 1249 C THR A 80 -10.016 -2.135 5.391 1.00 0.00 C ATOM 1250 O THR A 80 -10.488 -2.382 4.282 1.00 0.00 O ATOM 1251 CB THR A 80 -11.209 -4.049 6.609 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.132 -3.350 7.434 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.885 -5.385 7.282 1.00 0.00 C ATOM 0 H THR A 80 -10.250 -2.049 8.105 1.00 0.00 H new ATOM 0 HA THR A 80 -9.137 -3.908 6.070 1.00 0.00 H new ATOM 0 HB THR A 80 -11.648 -4.206 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.952 -3.879 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.801 -5.963 7.403 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.183 -5.943 6.663 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.440 -5.201 8.260 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.595 -0.913 5.740 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.614 0.230 4.845 1.00 0.00 C ATOM 1263 C HIS A 81 -8.477 1.204 5.193 1.00 0.00 C ATOM 1264 O HIS A 81 -7.967 1.173 6.322 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.998 0.886 4.906 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.253 1.592 6.211 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -11.171 2.948 6.400 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.474 1.011 7.430 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.330 3.190 7.708 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -11.540 2.039 8.374 1.00 0.00 N ATOM 0 H HIS A 81 -9.228 -0.697 6.667 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.439 -0.089 3.818 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.093 1.600 4.088 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.763 0.124 4.755 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -11.016 3.648 5.674 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -11.578 -0.046 7.626 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.295 4.169 8.163 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.065 2.063 4.263 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.985 3.026 4.463 1.00 0.00 C ATOM 1280 C GLY A 82 -6.836 3.955 3.259 1.00 0.00 C ATOM 1281 O GLY A 82 -6.991 3.526 2.118 1.00 0.00 O ATOM 0 H GLY A 82 -8.480 2.110 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.183 3.616 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.049 2.495 4.633 1.00 0.00 H new ATOM 1285 N MET A 83 -6.510 5.229 3.496 1.00 0.00 N ATOM 1286 CA MET A 83 -6.577 6.271 2.468 1.00 0.00 C ATOM 1287 C MET A 83 -5.221 6.540 1.817 1.00 0.00 C ATOM 1288 O MET A 83 -4.188 6.440 2.477 1.00 0.00 O ATOM 1289 CB MET A 83 -7.090 7.582 3.071 1.00 0.00 C ATOM 1290 CG MET A 83 -8.308 7.405 3.978 1.00 0.00 C ATOM 1291 SD MET A 83 -9.119 8.963 4.390 1.00 0.00 S ATOM 1292 CE MET A 83 -10.215 9.093 2.964 1.00 0.00 C ATOM 0 H MET A 83 -6.193 5.566 4.405 1.00 0.00 H new ATOM 0 HA MET A 83 -7.261 5.904 1.703 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.287 8.048 3.642 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.346 8.268 2.263 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.026 6.748 3.487 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.999 6.909 4.898 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.535 10.128 2.844 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.686 8.770 2.068 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.088 8.459 3.117 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.233 7.011 0.571 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.096 7.504 -0.206 1.00 0.00 C ATOM 1304 C LEU A 84 -4.092 9.040 -0.174 1.00 0.00 C ATOM 1305 O LEU A 84 -4.700 9.633 -1.063 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.229 7.001 -1.669 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.583 5.657 -2.023 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.074 5.771 -2.174 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.931 4.566 -1.032 1.00 0.00 C ATOM 0 H LEU A 84 -6.102 7.062 0.039 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.162 7.136 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.291 6.935 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.803 7.761 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.002 5.373 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.659 4.795 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.840 6.480 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.640 6.120 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.448 3.636 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.585 4.853 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.011 4.423 -1.012 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.482 9.711 0.819 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.288 11.155 0.806 1.00 0.00 C ATOM 1323 C PRO A 85 -2.024 11.537 0.025 1.00 0.00 C ATOM 1324 O PRO A 85 -1.106 10.728 -0.143 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.124 11.536 2.278 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.373 10.330 2.843 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.001 9.168 2.075 1.00 0.00 C ATOM 0 HA PRO A 85 -4.120 11.669 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.559 12.460 2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.085 11.684 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.299 10.401 2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.514 10.230 3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.270 8.379 1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.819 8.725 2.644 1.00 0.00 H new ATOM 1335 N GLY A 86 -1.921 12.807 -0.371 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.765 13.314 -1.099 1.00 0.00 C ATOM 1337 C GLY A 86 -0.744 12.860 -2.556 1.00 0.00 C ATOM 1338 O GLY A 86 0.322 12.828 -3.176 1.00 0.00 O ATOM 0 H GLY A 86 -2.639 13.510 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.766 14.403 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.147 12.979 -0.605 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.901 12.470 -3.092 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.091 12.120 -4.483 1.00 0.00 C ATOM 1344 C LEU A 87 -2.403 13.402 -5.248 1.00 0.00 C ATOM 1345 O LEU A 87 -2.598 14.471 -4.662 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.214 11.064 -4.587 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.754 9.617 -4.304 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -2.022 9.037 -5.504 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -1.840 9.450 -3.085 1.00 0.00 C ATOM 0 H LEU A 87 -2.756 12.389 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.198 11.675 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.007 11.324 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.645 11.107 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.682 9.086 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.708 8.017 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.687 9.031 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.146 9.646 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.573 8.399 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.935 10.041 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.361 9.790 -2.190 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.457 13.286 -6.568 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.760 14.377 -7.487 1.00 0.00 C ATOM 1363 C GLU A 88 -3.938 13.973 -8.357 1.00 0.00 C ATOM 1364 O GLU A 88 -4.191 12.771 -8.476 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.551 14.671 -8.384 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.426 15.327 -7.593 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.589 16.837 -7.431 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -1.582 17.292 -6.820 1.00 0.00 O ATOM 1369 OE2 GLU A 88 0.314 17.588 -7.868 1.00 0.00 O ATOM 0 H GLU A 88 -2.286 12.401 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.000 15.272 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.192 13.744 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.852 15.324 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.373 14.868 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.522 15.124 -8.091 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.613 14.942 -8.988 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.715 14.727 -9.917 1.00 0.00 C ATOM 1378 C PRO A 89 -5.302 14.565 -11.397 1.00 0.00 C ATOM 1379 O PRO A 89 -4.212 14.971 -11.805 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.582 15.959 -9.725 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.651 17.069 -9.229 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.469 16.340 -8.622 1.00 0.00 C ATOM 0 HA PRO A 89 -6.215 13.783 -9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.063 16.245 -10.660 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.376 15.767 -9.003 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.338 17.718 -10.047 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.147 17.701 -8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.529 16.744 -8.998 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.456 16.458 -7.538 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.208 13.984 -12.190 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.195 13.748 -13.636 1.00 0.00 C ATOM 1392 C PHE A 90 -5.125 12.781 -14.195 1.00 0.00 C ATOM 1393 O PHE A 90 -4.566 13.020 -15.272 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.261 15.087 -14.388 1.00 0.00 C ATOM 1395 CG PHE A 90 -6.977 15.097 -15.737 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -7.453 13.924 -16.368 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -7.209 16.338 -16.357 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -8.137 14.000 -17.593 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -7.940 16.420 -17.554 1.00 0.00 C ATOM 1400 CZ PHE A 90 -8.392 15.249 -18.182 1.00 0.00 C ATOM 0 H PHE A 90 -7.072 13.625 -11.783 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.100 13.172 -13.829 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.751 15.814 -13.740 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.241 15.437 -14.545 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.289 12.962 -15.905 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.820 17.240 -15.907 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.467 13.096 -18.083 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.154 17.384 -17.991 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.934 15.308 -19.114 1.00 0.00 H new ATOM 1410 N SER A 91 -4.913 11.629 -13.558 1.00 0.00 N ATOM 1411 CA SER A 91 -4.059 10.519 -14.000 1.00 0.00 C ATOM 1412 C SER A 91 -4.830 9.196 -13.908 1.00 0.00 C ATOM 1413 O SER A 91 -6.054 9.189 -13.730 1.00 0.00 O ATOM 1414 CB SER A 91 -2.750 10.479 -13.185 1.00 0.00 C ATOM 1415 OG SER A 91 -1.646 10.734 -14.023 1.00 0.00 O ATOM 0 H SER A 91 -5.360 11.431 -12.663 1.00 0.00 H new ATOM 0 HA SER A 91 -3.783 10.674 -15.043 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.788 11.220 -12.386 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.638 9.504 -12.711 1.00 0.00 H new ATOM 0 HG SER A 91 -0.963 10.045 -13.883 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.121 8.077 -14.067 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.549 6.776 -13.577 1.00 0.00 C ATOM 1423 C HIS A 92 -3.611 6.404 -12.424 1.00 0.00 C ATOM 1424 O HIS A 92 -2.522 6.967 -12.296 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.511 5.748 -14.731 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.536 4.634 -14.671 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.548 3.502 -15.464 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.698 4.629 -13.945 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -6.688 2.835 -15.211 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -7.416 3.483 -14.287 1.00 0.00 N ATOM 0 H HIS A 92 -3.221 8.054 -14.547 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.576 6.791 -13.212 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.643 6.284 -15.671 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.518 5.299 -14.756 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.004 5.381 -13.233 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.977 1.908 -15.684 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.318 3.194 -13.909 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.989 5.428 -11.605 1.00 0.00 N ATOM 1439 CA TYR A 93 -3.177 4.963 -10.490 1.00 0.00 C ATOM 1440 C TYR A 93 -3.268 3.452 -10.380 1.00 0.00 C ATOM 1441 O TYR A 93 -4.283 2.866 -10.767 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.674 5.628 -9.204 1.00 0.00 C ATOM 1443 CG TYR A 93 -3.245 7.073 -9.078 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -1.897 7.391 -8.830 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -4.187 8.102 -9.220 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -1.486 8.724 -8.691 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -3.781 9.438 -9.090 1.00 0.00 C ATOM 1448 CZ TYR A 93 -2.432 9.760 -8.823 1.00 0.00 C ATOM 1449 OH TYR A 93 -2.049 11.053 -8.633 1.00 0.00 O ATOM 0 H TYR A 93 -4.876 4.934 -11.699 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.133 5.231 -10.652 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.762 5.574 -9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.302 5.069 -8.346 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.169 6.598 -8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -5.220 7.867 -9.428 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -0.452 8.955 -8.484 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.508 10.230 -9.195 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.832 11.639 -8.698 1.00 0.00 H new ATOM 1459 N THR A 94 -2.220 2.838 -9.831 1.00 0.00 N ATOM 1460 CA THR A 94 -2.193 1.442 -9.419 1.00 0.00 C ATOM 1461 C THR A 94 -1.755 1.415 -7.960 1.00 0.00 C ATOM 1462 O THR A 94 -0.871 2.177 -7.561 1.00 0.00 O ATOM 1463 CB THR A 94 -1.226 0.628 -10.295 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.449 0.885 -11.664 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.387 -0.882 -10.094 1.00 0.00 C ATOM 0 H THR A 94 -1.338 3.319 -9.657 1.00 0.00 H new ATOM 0 HA THR A 94 -3.178 0.990 -9.534 1.00 0.00 H new ATOM 0 HB THR A 94 -0.225 0.936 -9.992 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.822 0.358 -12.202 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.682 -1.412 -10.735 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.190 -1.133 -9.052 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.404 -1.177 -10.352 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.376 0.561 -7.158 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.030 0.243 -5.784 1.00 0.00 C ATOM 1475 C LEU A 95 -2.344 -1.230 -5.571 1.00 0.00 C ATOM 1476 O LEU A 95 -3.121 -1.819 -6.325 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.761 1.129 -4.762 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.306 1.140 -4.705 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -4.999 1.185 -6.064 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.891 -0.037 -3.912 1.00 0.00 C ATOM 0 H LEU A 95 -3.192 0.037 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.971 0.442 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.403 0.843 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.437 2.155 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.513 2.077 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.080 1.190 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.699 2.088 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.714 0.309 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.979 0.030 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.586 -0.975 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.524 -0.003 -2.886 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.793 -1.817 -4.519 1.00 0.00 N ATOM 1493 CA ASN A 96 -2.106 -3.173 -4.081 1.00 0.00 C ATOM 1494 C ASN A 96 -2.239 -3.184 -2.565 1.00 0.00 C ATOM 1495 O ASN A 96 -2.161 -2.136 -1.934 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.035 -4.158 -4.576 1.00 0.00 C ATOM 1497 CG ASN A 96 0.367 -3.817 -4.086 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.587 -3.545 -2.909 1.00 0.00 O ATOM 1499 ND2 ASN A 96 1.364 -3.876 -4.948 1.00 0.00 N ATOM 0 H ASN A 96 -1.099 -1.355 -3.931 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.054 -3.497 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.294 -5.163 -4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.039 -4.171 -5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.319 -3.696 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.180 -4.102 -5.926 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.449 -4.355 -1.975 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.424 -4.567 -0.538 1.00 0.00 C ATOM 1508 C VAL A 97 -1.591 -5.838 -0.309 1.00 0.00 C ATOM 1509 O VAL A 97 -1.367 -6.639 -1.226 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.873 -4.649 0.013 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -3.922 -4.450 1.534 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.825 -3.587 -0.572 1.00 0.00 C ATOM 0 H VAL A 97 -2.647 -5.206 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.965 -3.742 0.007 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.198 -5.647 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.955 -4.515 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.329 -5.224 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.517 -3.470 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.817 -3.710 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.447 -2.592 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.884 -3.708 -1.654 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.082 -6.023 0.905 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.334 -7.190 1.366 1.00 0.00 C ATOM 1524 C ARG A 98 -0.530 -7.251 2.878 1.00 0.00 C ATOM 1525 O ARG A 98 -0.742 -6.197 3.490 1.00 0.00 O ATOM 1526 CB ARG A 98 1.141 -6.970 1.014 1.00 0.00 C ATOM 1527 CG ARG A 98 2.006 -8.204 1.276 1.00 0.00 C ATOM 1528 CD ARG A 98 3.300 -8.124 0.474 1.00 0.00 C ATOM 1529 NE ARG A 98 3.119 -8.417 -0.960 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.129 -8.525 -1.832 1.00 0.00 C ATOM 1531 NH1 ARG A 98 5.358 -8.200 -1.466 1.00 0.00 N ATOM 1532 NH2 ARG A 98 3.930 -8.951 -3.072 1.00 0.00 N ATOM 0 H ARG A 98 -1.186 -5.321 1.638 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.666 -8.121 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.221 -6.693 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.527 -6.132 1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.233 -8.278 2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.457 -9.106 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.725 -7.126 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.022 -8.825 0.892 1.00 0.00 H new ATOM 0 HE ARG A 98 2.169 -8.545 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.537 -7.867 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.127 -8.283 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.991 -9.205 -3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.716 -9.025 -3.718 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.426 -8.423 3.494 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.442 -8.548 4.945 1.00 0.00 C ATOM 1548 C VAL A 99 1.016 -8.582 5.414 1.00 0.00 C ATOM 1549 O VAL A 99 1.893 -9.132 4.736 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.307 -9.762 5.382 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.579 -9.947 4.521 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.533 -11.080 5.403 1.00 0.00 C ATOM 0 H VAL A 99 -0.328 -9.311 3.002 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.923 -7.698 5.429 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.605 -9.514 6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.138 -10.812 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.202 -9.056 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.294 -10.104 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.196 -11.886 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.150 -11.293 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.299 -11.002 6.102 1.00 0.00 H new ATOM 1562 N VAL A 100 1.279 -8.004 6.581 1.00 0.00 N ATOM 1563 CA VAL A 100 2.581 -7.985 7.227 1.00 0.00 C ATOM 1564 C VAL A 100 2.335 -8.466 8.654 1.00 0.00 C ATOM 1565 O VAL A 100 1.329 -8.116 9.282 1.00 0.00 O ATOM 1566 CB VAL A 100 3.178 -6.564 7.160 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.485 -6.443 7.967 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.456 -6.113 5.713 1.00 0.00 C ATOM 0 H VAL A 100 0.563 -7.518 7.121 1.00 0.00 H new ATOM 0 HA VAL A 100 3.311 -8.631 6.739 1.00 0.00 H new ATOM 0 HB VAL A 100 2.420 -5.915 7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.867 -5.425 7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.290 -6.679 9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.224 -7.139 7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.875 -5.107 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.165 -6.798 5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.525 -6.114 5.146 1.00 0.00 H new ATOM 1578 N ASN A 101 3.241 -9.291 9.165 1.00 0.00 N ATOM 1579 CA ASN A 101 3.144 -9.878 10.489 1.00 0.00 C ATOM 1580 C ASN A 101 4.479 -9.742 11.213 1.00 0.00 C ATOM 1581 O ASN A 101 5.415 -9.125 10.698 1.00 0.00 O ATOM 1582 CB ASN A 101 2.618 -11.327 10.376 1.00 0.00 C ATOM 1583 CG ASN A 101 3.644 -12.387 9.972 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.831 -12.135 9.821 1.00 0.00 O ATOM 1585 ND2 ASN A 101 3.225 -13.625 9.805 1.00 0.00 N ATOM 0 H ASN A 101 4.079 -9.574 8.658 1.00 0.00 H new ATOM 0 HA ASN A 101 2.419 -9.344 11.103 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.190 -11.612 11.337 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.806 -11.341 9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.888 -14.358 9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.238 -13.850 9.928 1.00 0.00 H new ATOM 1592 N GLY A 102 4.560 -10.274 12.432 1.00 0.00 N ATOM 1593 CA GLY A 102 5.717 -10.142 13.307 1.00 0.00 C ATOM 1594 C GLY A 102 6.944 -10.907 12.834 1.00 0.00 C ATOM 1595 O GLY A 102 7.920 -10.980 13.576 1.00 0.00 O ATOM 0 H GLY A 102 3.804 -10.820 12.845 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.973 -9.086 13.397 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.447 -10.490 14.304 1.00 0.00 H new ATOM 1599 N LYS A 103 6.919 -11.484 11.632 1.00 0.00 N ATOM 1600 CA LYS A 103 8.061 -12.116 11.010 1.00 0.00 C ATOM 1601 C LYS A 103 8.359 -11.465 9.666 1.00 0.00 C ATOM 1602 O LYS A 103 9.475 -10.978 9.477 1.00 0.00 O ATOM 1603 CB LYS A 103 7.820 -13.631 10.905 1.00 0.00 C ATOM 1604 CG LYS A 103 9.009 -14.390 10.320 1.00 0.00 C ATOM 1605 CD LYS A 103 10.335 -14.174 11.087 1.00 0.00 C ATOM 1606 CE LYS A 103 11.537 -14.607 10.246 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.822 -14.403 10.945 1.00 0.00 N ATOM 0 H LYS A 103 6.077 -11.520 11.057 1.00 0.00 H new ATOM 0 HA LYS A 103 8.949 -11.973 11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.597 -14.026 11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.942 -13.811 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.777 -15.455 10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.147 -14.084 9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.436 -13.122 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.316 -14.741 12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.433 -15.660 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.543 -14.046 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.462 -13.849 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.656 -13.891 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 13.255 -15.326 11.152 1.00 0.00 H new ATOM 1621 N GLY A 104 7.398 -11.441 8.748 1.00 0.00 N ATOM 1622 CA GLY A 104 7.623 -11.041 7.372 1.00 0.00 C ATOM 1623 C GLY A 104 6.310 -10.684 6.691 1.00 0.00 C ATOM 1624 O GLY A 104 5.334 -10.294 7.338 1.00 0.00 O ATOM 0 H GLY A 104 6.432 -11.702 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.297 -10.185 7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.111 -11.850 6.829 1.00 0.00 H new ATOM 1628 N GLU A 105 6.291 -10.766 5.363 1.00 0.00 N ATOM 1629 CA GLU A 105 5.152 -10.394 4.533 1.00 0.00 C ATOM 1630 C GLU A 105 4.851 -11.479 3.503 1.00 0.00 C ATOM 1631 O GLU A 105 5.655 -12.388 3.294 1.00 0.00 O ATOM 1632 CB GLU A 105 5.376 -8.990 3.952 1.00 0.00 C ATOM 1633 CG GLU A 105 6.674 -8.729 3.172 1.00 0.00 C ATOM 1634 CD GLU A 105 6.536 -8.759 1.651 1.00 0.00 C ATOM 1635 OE1 GLU A 105 6.165 -7.703 1.095 1.00 0.00 O ATOM 1636 OE2 GLU A 105 6.818 -9.774 0.975 1.00 0.00 O ATOM 0 H GLU A 105 7.088 -11.102 4.822 1.00 0.00 H new ATOM 0 HA GLU A 105 4.245 -10.329 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.539 -8.765 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.333 -8.277 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.066 -7.755 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.413 -9.473 3.469 1.00 0.00 H new ATOM 1643 N GLY A 106 3.649 -11.425 2.934 1.00 0.00 N ATOM 1644 CA GLY A 106 3.057 -12.504 2.154 1.00 0.00 C ATOM 1645 C GLY A 106 2.788 -12.085 0.712 1.00 0.00 C ATOM 1646 O GLY A 106 3.442 -11.172 0.207 1.00 0.00 O ATOM 0 H GLY A 106 3.045 -10.606 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.724 -13.366 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.123 -12.819 2.620 1.00 0.00 H new ATOM 1650 N PRO A 107 1.874 -12.767 0.012 1.00 0.00 N ATOM 1651 CA PRO A 107 1.496 -12.404 -1.345 1.00 0.00 C ATOM 1652 C PRO A 107 0.686 -11.129 -1.380 1.00 0.00 C ATOM 1653 O PRO A 107 0.082 -10.707 -0.394 1.00 0.00 O ATOM 1654 CB PRO A 107 0.696 -13.586 -1.873 1.00 0.00 C ATOM 1655 CG PRO A 107 0.102 -14.217 -0.617 1.00 0.00 C ATOM 1656 CD PRO A 107 1.097 -13.897 0.493 1.00 0.00 C ATOM 0 HA PRO A 107 2.373 -12.204 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.082 -13.265 -2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.331 -14.290 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.882 -13.805 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.023 -15.293 -0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.582 -13.651 1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.739 -14.753 0.702 1.00 0.00 H new ATOM 1664 N ALA A 108 0.679 -10.500 -2.544 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.140 -9.337 -2.758 1.00 0.00 C ATOM 1666 C ALA A 108 -1.564 -9.758 -3.079 1.00 0.00 C ATOM 1667 O ALA A 108 -1.799 -10.857 -3.582 1.00 0.00 O ATOM 1668 CB ALA A 108 0.468 -8.560 -3.903 1.00 0.00 C ATOM 0 H ALA A 108 1.235 -10.782 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.177 -8.714 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.128 -7.668 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.486 -8.267 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.486 -9.183 -4.797 1.00 0.00 H new ATOM 1674 N SER A 109 -2.498 -8.848 -2.823 1.00 0.00 N ATOM 1675 CA SER A 109 -3.860 -8.932 -3.314 1.00 0.00 C ATOM 1676 C SER A 109 -3.851 -8.832 -4.849 1.00 0.00 C ATOM 1677 O SER A 109 -2.792 -8.612 -5.461 1.00 0.00 O ATOM 1678 CB SER A 109 -4.633 -7.786 -2.638 1.00 0.00 C ATOM 1679 OG SER A 109 -4.086 -6.522 -2.974 1.00 0.00 O ATOM 0 H SER A 109 -2.322 -8.018 -2.257 1.00 0.00 H new ATOM 0 HA SER A 109 -4.343 -9.879 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.679 -7.823 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.609 -7.918 -1.556 1.00 0.00 H new ATOM 0 HG SER A 109 -4.549 -6.163 -3.760 1.00 0.00 H new ATOM 1685 N PRO A 110 -5.020 -8.851 -5.507 1.00 0.00 N ATOM 1686 CA PRO A 110 -5.188 -8.078 -6.723 1.00 0.00 C ATOM 1687 C PRO A 110 -4.680 -6.658 -6.472 1.00 0.00 C ATOM 1688 O PRO A 110 -4.979 -6.042 -5.444 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.683 -8.121 -7.046 1.00 0.00 C ATOM 1690 CG PRO A 110 -7.351 -8.486 -5.722 1.00 0.00 C ATOM 1691 CD PRO A 110 -6.299 -9.370 -5.059 1.00 0.00 C ATOM 0 HA PRO A 110 -4.623 -8.471 -7.568 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.037 -7.159 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.901 -8.860 -7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.576 -7.603 -5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.291 -9.017 -5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.380 -9.330 -3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.423 -10.413 -5.350 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.873 -6.148 -7.397 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.753 -4.709 -7.581 1.00 0.00 C ATOM 1701 C ASP A 111 -5.122 -4.183 -7.994 1.00 0.00 C ATOM 1702 O ASP A 111 -5.950 -4.922 -8.536 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.727 -4.364 -8.674 1.00 0.00 C ATOM 1704 CG ASP A 111 -3.164 -4.894 -10.038 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -3.334 -6.129 -10.158 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -3.395 -4.122 -10.994 1.00 0.00 O ATOM 0 H ASP A 111 -3.297 -6.707 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.412 -4.254 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.599 -3.283 -8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.758 -4.787 -8.411 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.347 -2.899 -7.769 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.529 -2.198 -8.219 1.00 0.00 C ATOM 1713 C ARG A 112 -6.108 -0.984 -9.008 1.00 0.00 C ATOM 1714 O ARG A 112 -4.953 -0.555 -8.951 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.381 -1.807 -7.009 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.489 -2.834 -6.771 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.707 -2.615 -7.668 1.00 0.00 C ATOM 1718 NE ARG A 112 -10.425 -1.373 -7.312 1.00 0.00 N ATOM 1719 CZ ARG A 112 -11.657 -1.019 -7.698 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -12.332 -1.764 -8.560 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -12.224 0.091 -7.232 1.00 0.00 N ATOM 0 H ARG A 112 -4.695 -2.305 -7.256 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.130 -2.839 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.750 -1.734 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.820 -0.822 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -8.093 -3.835 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.800 -2.790 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.389 -2.567 -8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -10.383 -3.465 -7.580 1.00 0.00 H new ATOM 0 HE ARG A 112 -9.930 -0.717 -6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -11.914 -2.615 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.270 -1.487 -8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.719 0.683 -6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.163 0.349 -7.534 1.00 0.00 H new ATOM 1735 N VAL A 113 -7.088 -0.392 -9.673 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.923 0.878 -10.341 1.00 0.00 C ATOM 1737 C VAL A 113 -7.825 1.900 -9.665 1.00 0.00 C ATOM 1738 O VAL A 113 -8.861 1.545 -9.085 1.00 0.00 O ATOM 1739 CB VAL A 113 -7.135 0.728 -11.856 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -6.303 -0.436 -12.416 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -8.606 0.528 -12.217 1.00 0.00 C ATOM 0 H VAL A 113 -8.024 -0.787 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.902 1.247 -10.246 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.801 1.661 -12.310 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.471 -0.520 -13.490 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.245 -0.251 -12.228 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.601 -1.364 -11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.705 0.427 -13.298 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.980 -0.374 -11.733 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -9.184 1.388 -11.879 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.463 3.173 -9.780 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.376 4.280 -9.579 1.00 0.00 C ATOM 1753 C PHE A 114 -8.011 5.379 -10.560 1.00 0.00 C ATOM 1754 O PHE A 114 -6.835 5.594 -10.863 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.411 4.750 -8.116 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.132 5.235 -7.452 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.238 4.280 -6.948 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -6.927 6.595 -7.142 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.209 4.656 -6.073 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -5.882 6.977 -6.276 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.042 5.999 -5.709 1.00 0.00 C ATOM 0 H PHE A 114 -6.515 3.463 -10.018 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.398 3.959 -9.780 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.139 5.558 -8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.796 3.925 -7.517 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.343 3.245 -7.237 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.573 7.347 -7.570 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.541 3.906 -5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.725 8.021 -6.047 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.277 6.281 -5.001 1.00 0.00 H new ATOM 1771 N ASN A 115 -9.030 6.056 -11.083 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.911 7.227 -11.924 1.00 0.00 C ATOM 1773 C ASN A 115 -9.515 8.397 -11.164 1.00 0.00 C ATOM 1774 O ASN A 115 -10.466 8.230 -10.395 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.646 7.006 -13.249 1.00 0.00 C ATOM 1776 CG ASN A 115 -11.162 7.068 -13.098 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.786 6.074 -12.736 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.774 8.209 -13.357 1.00 0.00 N ATOM 0 H ASN A 115 -10.000 5.786 -10.921 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.866 7.428 -12.159 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.325 7.760 -13.968 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.365 6.036 -13.658 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.787 8.278 -13.258 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.234 9.021 -13.656 1.00 0.00 H new ATOM 1785 N THR A 116 -8.968 9.576 -11.403 1.00 0.00 N ATOM 1786 CA THR A 116 -9.229 10.769 -10.622 1.00 0.00 C ATOM 1787 C THR A 116 -10.009 11.794 -11.455 1.00 0.00 C ATOM 1788 O THR A 116 -10.029 11.694 -12.692 1.00 0.00 O ATOM 1789 CB THR A 116 -7.864 11.303 -10.141 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.899 11.166 -11.176 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.393 10.526 -8.909 1.00 0.00 C ATOM 0 H THR A 116 -8.312 9.733 -12.168 1.00 0.00 H new ATOM 0 HA THR A 116 -9.855 10.554 -9.756 1.00 0.00 H new ATOM 0 HB THR A 116 -7.977 12.355 -9.881 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.999 11.198 -10.790 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.429 10.914 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.122 10.640 -8.107 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.293 9.470 -9.161 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.636 12.785 -10.797 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.199 13.935 -11.482 1.00 0.00 C ATOM 1801 C PRO A 117 -10.076 14.848 -11.995 1.00 0.00 C ATOM 1802 O PRO A 117 -8.920 14.688 -11.595 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.081 14.618 -10.433 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.451 14.257 -9.090 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.742 12.936 -9.350 1.00 0.00 C ATOM 0 HA PRO A 117 -11.781 13.668 -12.364 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.105 15.698 -10.580 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.111 14.265 -10.493 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.752 15.025 -8.759 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.206 14.156 -8.311 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.754 12.931 -8.889 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.301 12.107 -8.916 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.420 15.848 -12.814 1.00 0.00 N ATOM 1814 CA GLU A 118 -9.502 16.866 -13.323 1.00 0.00 C ATOM 1815 C GLU A 118 -8.838 17.644 -12.178 1.00 0.00 C ATOM 1816 O GLU A 118 -7.675 18.031 -12.287 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.225 17.801 -14.313 1.00 0.00 C ATOM 1818 CG GLU A 118 -9.274 18.894 -14.832 1.00 0.00 C ATOM 1819 CD GLU A 118 -9.724 19.555 -16.140 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -10.918 19.914 -16.257 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -8.859 19.749 -17.028 1.00 0.00 O ATOM 0 H GLU A 118 -11.375 15.973 -13.150 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.702 16.364 -13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.611 17.221 -15.151 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.083 18.262 -13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.172 19.663 -14.067 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.286 18.459 -14.980 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.563 17.797 -11.064 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.124 18.439 -9.833 1.00 0.00 C ATOM 1830 C GLY A 119 -8.862 19.928 -10.024 1.00 0.00 C ATOM 1831 O GLY A 119 -7.781 20.307 -10.463 1.00 0.00 O ATOM 0 H GLY A 119 -10.522 17.456 -11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.882 18.301 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.215 17.954 -9.476 1.00 0.00 H new ATOM 1835 N SER A 120 -9.831 20.779 -9.679 1.00 0.00 N ATOM 1836 CA SER A 120 -9.739 22.224 -9.873 1.00 0.00 C ATOM 1837 C SER A 120 -9.437 22.580 -11.337 1.00 0.00 C ATOM 1838 O SER A 120 -8.669 23.503 -11.616 1.00 0.00 O ATOM 1839 CB SER A 120 -8.722 22.843 -8.902 1.00 0.00 C ATOM 1840 OG SER A 120 -9.087 22.673 -7.542 1.00 0.00 O ATOM 0 H SER A 120 -10.708 20.480 -9.254 1.00 0.00 H new ATOM 0 HA SER A 120 -10.712 22.658 -9.643 1.00 0.00 H new ATOM 0 HB2 SER A 120 -7.744 22.391 -9.070 1.00 0.00 H new ATOM 0 HB3 SER A 120 -8.623 23.907 -9.117 1.00 0.00 H new ATOM 0 HG SER A 120 -8.407 23.083 -6.967 1.00 0.00 H new ATOM 1846 N GLY A 121 -10.044 21.850 -12.278 1.00 0.00 N ATOM 1847 CA GLY A 121 -9.956 22.164 -13.694 1.00 0.00 C ATOM 1848 C GLY A 121 -10.459 23.585 -13.940 1.00 0.00 C ATOM 1849 O GLY A 121 -11.587 23.885 -13.521 1.00 0.00 O ATOM 0 H GLY A 121 -10.609 21.026 -12.072 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -8.925 22.069 -14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.548 21.454 -14.271 1.00 0.00 H new ATOM 1853 N PRO A 122 -9.676 24.470 -14.577 1.00 0.00 N ATOM 1854 CA PRO A 122 -10.188 25.749 -15.036 1.00 0.00 C ATOM 1855 C PRO A 122 -11.130 25.521 -16.226 1.00 0.00 C ATOM 1856 O PRO A 122 -11.177 24.433 -16.806 1.00 0.00 O ATOM 1857 CB PRO A 122 -8.944 26.559 -15.412 1.00 0.00 C ATOM 1858 CG PRO A 122 -7.966 25.488 -15.892 1.00 0.00 C ATOM 1859 CD PRO A 122 -8.302 24.279 -15.019 1.00 0.00 C ATOM 0 HA PRO A 122 -10.774 26.281 -14.287 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -9.159 27.288 -16.193 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -8.550 27.112 -14.559 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -8.100 25.268 -16.951 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -6.931 25.802 -15.761 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -8.199 23.351 -15.582 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -7.624 24.212 -14.168 1.00 0.00 H new ATOM 1867 N SER A 123 -11.869 26.559 -16.607 1.00 0.00 N ATOM 1868 CA SER A 123 -12.707 26.589 -17.794 1.00 0.00 C ATOM 1869 C SER A 123 -12.847 28.060 -18.209 1.00 0.00 C ATOM 1870 O SER A 123 -12.172 28.934 -17.653 1.00 0.00 O ATOM 1871 CB SER A 123 -14.049 25.906 -17.487 1.00 0.00 C ATOM 1872 OG SER A 123 -14.748 25.632 -18.684 1.00 0.00 O ATOM 0 H SER A 123 -11.899 27.430 -16.077 1.00 0.00 H new ATOM 0 HA SER A 123 -12.273 26.037 -18.628 1.00 0.00 H new ATOM 0 HB2 SER A 123 -13.876 24.980 -16.939 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.652 26.548 -16.845 1.00 0.00 H new ATOM 0 HG SER A 123 -15.600 25.196 -18.473 1.00 0.00 H new ATOM 1878 N SER A 124 -13.687 28.355 -19.195 1.00 0.00 N ATOM 1879 CA SER A 124 -14.071 29.704 -19.590 1.00 0.00 C ATOM 1880 C SER A 124 -15.495 29.660 -20.154 1.00 0.00 C ATOM 1881 O SER A 124 -16.043 28.577 -20.371 1.00 0.00 O ATOM 1882 CB SER A 124 -13.068 30.249 -20.616 1.00 0.00 C ATOM 1883 OG SER A 124 -11.755 30.258 -20.077 1.00 0.00 O ATOM 0 H SER A 124 -14.135 27.635 -19.761 1.00 0.00 H new ATOM 0 HA SER A 124 -14.057 30.376 -18.732 1.00 0.00 H new ATOM 0 HB2 SER A 124 -13.093 29.636 -21.517 1.00 0.00 H new ATOM 0 HB3 SER A 124 -13.353 31.259 -20.910 1.00 0.00 H new ATOM 0 HG SER A 124 -11.129 30.607 -20.746 1.00 0.00 H new ATOM 1889 N GLY A 125 -16.081 30.828 -20.388 1.00 0.00 N ATOM 1890 CA GLY A 125 -17.426 31.055 -20.877 1.00 0.00 C ATOM 1891 C GLY A 125 -17.654 32.559 -20.868 1.00 0.00 C ATOM 1892 O GLY A 125 -18.790 32.955 -21.189 1.00 0.00 O ATOM 0 H GLY A 125 -15.586 31.705 -20.227 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -17.544 30.653 -21.883 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -18.157 30.550 -20.245 1.00 0.00 H new TER 1896 GLY A 125