USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 975 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 50 HIS : no HE2:sc= 1 K(o=2.5,f=-3.6) USER MOD Set 1.2: A 76 TYR OH : rot 79:sc= 1.54 USER MOD Set 2.1: A 14 TYR OH : rot 73:sc= 1.26 USER MOD Set 2.2: A 62 HIS : no HE2:sc= 0.647 K(o=1.9,f=-5.2!) USER MOD Set 3.1: A 7 THR OG1 : rot 160:sc= -0.0745 USER MOD Set 3.2: A 13 SER OG : rot 170:sc= -0.0392 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.74 (180deg=0.0611) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -162:sc= -0.0876 (180deg=-0.522) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -172:sc= 0 (180deg=-0.0763) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 28 SER OG : rot -81:sc= 0.686 USER MOD Single : A 29 SER OG : rot 55:sc= 0.127 USER MOD Single : A 35 GLN : amide:sc= -4.24! C(o=-4.2!,f=-9.9!) USER MOD Single : A 41 SER OG : rot 135:sc= 0.644 USER MOD Single : A 46 CYS SG : rot -29:sc= -3.49! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -166:sc= -0.0892 (180deg=-0.427) USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 57 SER OG : rot 140:sc= -0.271 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot -129:sc= 0.65 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -97:sc= 0.235 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0426 USER MOD Single : A 85 LYS NZ :NH3+ -150:sc= -2.28! (180deg=-4.21!) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 89 THR OG1 : rot -39:sc= 0.479 USER MOD Single : A 91 HIS : no HE2:sc= -1.81! K(o=-1.8!,f=-3.1) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -1.63 F(o=-2.2,f=-1.6) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0145 X(o=-0.014,f=-0.48) USER MOD Single : A 99 LYS NZ :NH3+ 139:sc= -2.59! (180deg=-5.43!) USER MOD Single : A 103 THR OG1 : rot -72:sc= 0.126 USER MOD Single : A 105 GLN : amide:sc= -0.0076 K(o=-0.0076,f=-1) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 133:sc= 2.29 (180deg=0.529) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.780 18.041 -15.028 1.00 0.00 N ATOM 2 CA GLY A 1 9.198 19.239 -15.800 1.00 0.00 C ATOM 3 C GLY A 1 10.578 19.065 -16.402 1.00 0.00 C ATOM 4 O GLY A 1 10.797 18.151 -17.200 1.00 0.00 O ATOM 0 H1 GLY A 1 8.318 18.340 -14.146 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.113 17.478 -15.594 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.616 17.464 -14.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.476 19.430 -16.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.193 20.112 -15.148 1.00 0.00 H new ATOM 10 N SER A 2 11.507 19.942 -16.024 1.00 0.00 N ATOM 11 CA SER A 2 12.895 19.832 -16.462 1.00 0.00 C ATOM 12 C SER A 2 13.473 18.503 -15.982 1.00 0.00 C ATOM 13 O SER A 2 14.195 17.819 -16.712 1.00 0.00 O ATOM 14 CB SER A 2 13.718 21.013 -15.920 1.00 0.00 C ATOM 15 OG SER A 2 15.072 20.955 -16.348 1.00 0.00 O ATOM 0 H SER A 2 11.321 20.738 -15.414 1.00 0.00 H new ATOM 0 HA SER A 2 12.937 19.863 -17.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.272 21.950 -16.253 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.681 21.012 -14.831 1.00 0.00 H new ATOM 0 HG SER A 2 15.563 21.722 -15.985 1.00 0.00 H new ATOM 21 N MET A 3 13.131 18.145 -14.750 1.00 0.00 N ATOM 22 CA MET A 3 13.493 16.853 -14.181 1.00 0.00 C ATOM 23 C MET A 3 12.290 15.916 -14.244 1.00 0.00 C ATOM 24 O MET A 3 11.149 16.369 -14.391 1.00 0.00 O ATOM 25 CB MET A 3 13.962 17.013 -12.727 1.00 0.00 C ATOM 26 CG MET A 3 15.238 17.835 -12.570 1.00 0.00 C ATOM 27 SD MET A 3 16.660 17.083 -13.395 1.00 0.00 S ATOM 28 CE MET A 3 16.816 15.541 -12.488 1.00 0.00 C ATOM 0 H MET A 3 12.596 18.741 -14.119 1.00 0.00 H new ATOM 0 HA MET A 3 14.314 16.430 -14.759 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.166 17.484 -12.150 1.00 0.00 H new ATOM 0 HB3 MET A 3 14.125 16.024 -12.298 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.074 18.833 -12.976 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.460 17.954 -11.510 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.809 15.122 -12.650 1.00 0.00 H new ATOM 0 HE2 MET A 3 16.670 15.728 -11.424 1.00 0.00 H new ATOM 0 HE3 MET A 3 16.063 14.835 -12.839 1.00 0.00 H new ATOM 38 N THR A 4 12.549 14.619 -14.139 1.00 0.00 N ATOM 39 CA THR A 4 11.490 13.619 -14.155 1.00 0.00 C ATOM 40 C THR A 4 10.732 13.620 -12.829 1.00 0.00 C ATOM 41 O THR A 4 11.115 14.321 -11.885 1.00 0.00 O ATOM 42 CB THR A 4 12.070 12.210 -14.423 1.00 0.00 C ATOM 43 OG1 THR A 4 13.104 11.915 -13.470 1.00 0.00 O ATOM 44 CG2 THR A 4 12.634 12.106 -15.838 1.00 0.00 C ATOM 0 H THR A 4 13.488 14.234 -14.041 1.00 0.00 H new ATOM 0 HA THR A 4 10.800 13.874 -14.959 1.00 0.00 H new ATOM 0 HB THR A 4 11.260 11.487 -14.321 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.465 11.021 -13.645 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.035 11.105 -15.997 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.841 12.299 -16.561 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.429 12.840 -15.967 1.00 0.00 H new ATOM 52 N GLU A 5 9.653 12.850 -12.764 1.00 0.00 N ATOM 53 CA GLU A 5 8.882 12.707 -11.534 1.00 0.00 C ATOM 54 C GLU A 5 9.704 11.993 -10.461 1.00 0.00 C ATOM 55 O GLU A 5 9.649 10.769 -10.318 1.00 0.00 O ATOM 56 CB GLU A 5 7.562 11.971 -11.810 1.00 0.00 C ATOM 57 CG GLU A 5 6.496 12.842 -12.479 1.00 0.00 C ATOM 58 CD GLU A 5 7.053 13.718 -13.593 1.00 0.00 C ATOM 59 OE1 GLU A 5 7.323 13.194 -14.693 1.00 0.00 O ATOM 60 OE2 GLU A 5 7.232 14.933 -13.368 1.00 0.00 O ATOM 0 H GLU A 5 9.290 12.313 -13.552 1.00 0.00 H new ATOM 0 HA GLU A 5 8.639 13.701 -11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.764 11.109 -12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.167 11.588 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.714 12.201 -12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.028 13.476 -11.726 1.00 0.00 H new ATOM 67 N GLU A 6 10.515 12.777 -9.764 1.00 0.00 N ATOM 68 CA GLU A 6 11.287 12.308 -8.623 1.00 0.00 C ATOM 69 C GLU A 6 10.408 12.372 -7.385 1.00 0.00 C ATOM 70 O GLU A 6 10.373 11.451 -6.568 1.00 0.00 O ATOM 71 CB GLU A 6 12.521 13.202 -8.443 1.00 0.00 C ATOM 72 CG GLU A 6 13.511 12.707 -7.393 1.00 0.00 C ATOM 73 CD GLU A 6 14.688 13.657 -7.217 1.00 0.00 C ATOM 74 OE1 GLU A 6 14.551 14.643 -6.461 1.00 0.00 O ATOM 75 OE2 GLU A 6 15.749 13.429 -7.839 1.00 0.00 O ATOM 0 H GLU A 6 10.656 13.764 -9.977 1.00 0.00 H new ATOM 0 HA GLU A 6 11.617 11.282 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.037 13.286 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.191 14.204 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.997 12.588 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.881 11.723 -7.681 1.00 0.00 H new ATOM 82 N THR A 7 9.698 13.494 -7.278 1.00 0.00 N ATOM 83 CA THR A 7 8.717 13.715 -6.219 1.00 0.00 C ATOM 84 C THR A 7 9.406 13.726 -4.840 1.00 0.00 C ATOM 85 O THR A 7 10.621 13.908 -4.778 1.00 0.00 O ATOM 86 CB THR A 7 7.589 12.647 -6.299 1.00 0.00 C ATOM 87 OG1 THR A 7 7.322 12.343 -7.677 1.00 0.00 O ATOM 88 CG2 THR A 7 6.297 13.150 -5.663 1.00 0.00 C ATOM 0 H THR A 7 9.788 14.277 -7.926 1.00 0.00 H new ATOM 0 HA THR A 7 8.254 14.692 -6.358 1.00 0.00 H new ATOM 0 HB THR A 7 7.927 11.763 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.869 11.476 -7.739 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.531 12.378 -5.737 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.475 13.385 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.960 14.047 -6.183 1.00 0.00 H new ATOM 96 N HIS A 8 8.618 13.550 -3.762 1.00 0.00 N ATOM 97 CA HIS A 8 9.067 13.658 -2.360 1.00 0.00 C ATOM 98 C HIS A 8 8.819 15.082 -1.806 1.00 0.00 C ATOM 99 O HIS A 8 7.873 15.259 -1.042 1.00 0.00 O ATOM 100 CB HIS A 8 10.511 13.151 -2.143 1.00 0.00 C ATOM 101 CG HIS A 8 11.052 13.392 -0.764 1.00 0.00 C ATOM 102 ND1 HIS A 8 10.505 12.865 0.383 1.00 0.00 N ATOM 103 CD2 HIS A 8 12.123 14.126 -0.364 1.00 0.00 C ATOM 104 CE1 HIS A 8 11.241 13.281 1.417 1.00 0.00 C ATOM 105 NE2 HIS A 8 12.237 14.051 1.019 1.00 0.00 N ATOM 0 H HIS A 8 7.627 13.323 -3.844 1.00 0.00 H new ATOM 0 HA HIS A 8 8.452 12.979 -1.769 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.543 12.081 -2.351 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.166 13.636 -2.867 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.781 14.680 -1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 8 11.046 13.021 2.447 1.00 0.00 H new ATOM 0 HE2 HIS A 8 12.943 14.498 1.604 1.00 0.00 H new ATOM 113 N PRO A 9 9.606 16.138 -2.173 1.00 0.00 N ATOM 114 CA PRO A 9 9.290 17.504 -1.751 1.00 0.00 C ATOM 115 C PRO A 9 8.373 18.206 -2.758 1.00 0.00 C ATOM 116 O PRO A 9 7.942 19.340 -2.544 1.00 0.00 O ATOM 117 CB PRO A 9 10.668 18.162 -1.706 1.00 0.00 C ATOM 118 CG PRO A 9 11.426 17.509 -2.814 1.00 0.00 C ATOM 119 CD PRO A 9 10.851 16.118 -2.977 1.00 0.00 C ATOM 0 HA PRO A 9 8.753 17.550 -0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.599 19.240 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.154 18.002 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.327 18.079 -3.738 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.490 17.463 -2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.645 15.893 -4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.544 15.357 -2.618 1.00 0.00 H new ATOM 127 N ASP A 10 8.100 17.515 -3.865 1.00 0.00 N ATOM 128 CA ASP A 10 7.219 18.029 -4.915 1.00 0.00 C ATOM 129 C ASP A 10 5.770 17.663 -4.603 1.00 0.00 C ATOM 130 O ASP A 10 4.883 18.513 -4.630 1.00 0.00 O ATOM 131 CB ASP A 10 7.638 17.454 -6.274 1.00 0.00 C ATOM 132 CG ASP A 10 6.793 17.986 -7.418 1.00 0.00 C ATOM 133 OD1 ASP A 10 7.030 19.135 -7.850 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.899 17.257 -7.893 1.00 0.00 O ATOM 0 H ASP A 10 8.480 16.589 -4.059 1.00 0.00 H new ATOM 0 HA ASP A 10 7.302 19.115 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.685 17.694 -6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.560 16.367 -6.244 1.00 0.00 H new ATOM 139 N ASP A 11 5.552 16.371 -4.337 1.00 0.00 N ATOM 140 CA ASP A 11 4.278 15.850 -3.815 1.00 0.00 C ATOM 141 C ASP A 11 3.167 15.772 -4.871 1.00 0.00 C ATOM 142 O ASP A 11 2.241 14.974 -4.730 1.00 0.00 O ATOM 143 CB ASP A 11 3.805 16.674 -2.608 1.00 0.00 C ATOM 144 CG ASP A 11 2.521 16.137 -1.989 1.00 0.00 C ATOM 145 OD1 ASP A 11 2.597 15.154 -1.221 1.00 0.00 O ATOM 146 OD2 ASP A 11 1.436 16.702 -2.260 1.00 0.00 O ATOM 0 H ASP A 11 6.259 15.649 -4.478 1.00 0.00 H new ATOM 0 HA ASP A 11 4.481 14.826 -3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.590 16.685 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.648 17.707 -2.919 1.00 0.00 H new ATOM 151 N ASP A 12 3.256 16.570 -5.930 1.00 0.00 N ATOM 152 CA ASP A 12 2.184 16.630 -6.933 1.00 0.00 C ATOM 153 C ASP A 12 1.931 15.262 -7.569 1.00 0.00 C ATOM 154 O ASP A 12 0.801 14.939 -7.934 1.00 0.00 O ATOM 155 CB ASP A 12 2.503 17.658 -8.026 1.00 0.00 C ATOM 156 CG ASP A 12 2.495 19.094 -7.521 1.00 0.00 C ATOM 157 OD1 ASP A 12 1.827 19.376 -6.501 1.00 0.00 O ATOM 158 OD2 ASP A 12 3.140 19.953 -8.155 1.00 0.00 O ATOM 0 H ASP A 12 4.050 17.182 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 12 1.279 16.941 -6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.482 17.435 -8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.776 17.559 -8.832 1.00 0.00 H new ATOM 163 N SER A 13 2.982 14.460 -7.687 1.00 0.00 N ATOM 164 CA SER A 13 2.878 13.137 -8.300 1.00 0.00 C ATOM 165 C SER A 13 2.171 12.133 -7.377 1.00 0.00 C ATOM 166 O SER A 13 1.736 11.069 -7.823 1.00 0.00 O ATOM 167 CB SER A 13 4.274 12.633 -8.678 1.00 0.00 C ATOM 168 OG SER A 13 4.956 13.599 -9.459 1.00 0.00 O ATOM 0 H SER A 13 3.920 14.701 -7.366 1.00 0.00 H new ATOM 0 HA SER A 13 2.270 13.227 -9.200 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.846 12.417 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.192 11.699 -9.234 1.00 0.00 H new ATOM 0 HG SER A 13 5.895 13.337 -9.556 1.00 0.00 H new ATOM 174 N TYR A 14 2.057 12.474 -6.091 1.00 0.00 N ATOM 175 CA TYR A 14 1.368 11.615 -5.124 1.00 0.00 C ATOM 176 C TYR A 14 -0.117 11.507 -5.465 1.00 0.00 C ATOM 177 O TYR A 14 -0.814 12.520 -5.573 1.00 0.00 O ATOM 178 CB TYR A 14 1.522 12.158 -3.689 1.00 0.00 C ATOM 179 CG TYR A 14 2.799 11.734 -2.982 1.00 0.00 C ATOM 180 CD1 TYR A 14 4.005 12.388 -3.207 1.00 0.00 C ATOM 181 CD2 TYR A 14 2.788 10.683 -2.073 1.00 0.00 C ATOM 182 CE1 TYR A 14 5.161 12.004 -2.549 1.00 0.00 C ATOM 183 CE2 TYR A 14 3.937 10.295 -1.414 1.00 0.00 C ATOM 184 CZ TYR A 14 5.119 10.957 -1.653 1.00 0.00 C ATOM 185 OH TYR A 14 6.264 10.561 -0.999 1.00 0.00 O ATOM 0 H TYR A 14 2.432 13.336 -5.696 1.00 0.00 H new ATOM 0 HA TYR A 14 1.826 10.627 -5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.485 13.247 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.668 11.828 -3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.041 13.210 -3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.863 10.160 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.090 12.522 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.908 9.474 -0.713 1.00 0.00 H new ATOM 0 HH TYR A 14 6.498 11.225 -0.317 1.00 0.00 H new ATOM 195 N ILE A 15 -0.594 10.280 -5.650 1.00 0.00 N ATOM 196 CA ILE A 15 -2.019 10.033 -5.840 1.00 0.00 C ATOM 197 C ILE A 15 -2.621 9.488 -4.545 1.00 0.00 C ATOM 198 O ILE A 15 -3.767 9.787 -4.204 1.00 0.00 O ATOM 199 CB ILE A 15 -2.295 9.054 -7.019 1.00 0.00 C ATOM 200 CG1 ILE A 15 -3.810 8.861 -7.218 1.00 0.00 C ATOM 201 CG2 ILE A 15 -1.601 7.712 -6.799 1.00 0.00 C ATOM 202 CD1 ILE A 15 -4.171 7.959 -8.384 1.00 0.00 C ATOM 0 H ILE A 15 -0.014 9.441 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.491 10.982 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.882 9.495 -7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.236 8.445 -6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.273 9.836 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.813 7.051 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.525 7.867 -6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.969 7.259 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.255 7.874 -8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.778 8.383 -9.308 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.740 6.970 -8.226 1.00 0.00 H new ATOM 214 N VAL A 16 -1.825 8.704 -3.813 1.00 0.00 N ATOM 215 CA VAL A 16 -2.239 8.144 -2.526 1.00 0.00 C ATOM 216 C VAL A 16 -1.075 8.209 -1.535 1.00 0.00 C ATOM 217 O VAL A 16 0.039 7.800 -1.857 1.00 0.00 O ATOM 218 CB VAL A 16 -2.707 6.666 -2.661 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.097 6.087 -1.299 1.00 0.00 C ATOM 220 CG2 VAL A 16 -3.867 6.543 -3.648 1.00 0.00 C ATOM 0 H VAL A 16 -0.881 8.441 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.079 8.737 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.868 6.089 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.420 5.053 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.238 6.121 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.912 6.674 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.173 5.499 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.707 7.143 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.550 6.898 -4.628 1.00 0.00 H new ATOM 230 N ARG A 17 -1.333 8.734 -0.340 1.00 0.00 N ATOM 231 CA ARG A 17 -0.323 8.793 0.717 1.00 0.00 C ATOM 232 C ARG A 17 -0.966 8.530 2.080 1.00 0.00 C ATOM 233 O ARG A 17 -1.458 9.446 2.741 1.00 0.00 O ATOM 234 CB ARG A 17 0.424 10.146 0.699 1.00 0.00 C ATOM 235 CG ARG A 17 -0.480 11.378 0.615 1.00 0.00 C ATOM 236 CD ARG A 17 0.327 12.678 0.616 1.00 0.00 C ATOM 237 NE ARG A 17 0.999 12.911 1.899 1.00 0.00 N ATOM 238 CZ ARG A 17 2.253 13.363 2.032 1.00 0.00 C ATOM 239 NH1 ARG A 17 2.986 13.669 0.967 1.00 0.00 N ATOM 240 NH2 ARG A 17 2.762 13.539 3.239 1.00 0.00 N ATOM 0 H ARG A 17 -2.237 9.127 -0.077 1.00 0.00 H new ATOM 0 HA ARG A 17 0.415 8.013 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.033 10.221 1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.108 10.156 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.082 11.325 -0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.172 11.379 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.070 12.643 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.336 13.515 0.397 1.00 0.00 H new ATOM 0 HE ARG A 17 0.474 12.715 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.595 13.561 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.939 14.012 1.085 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.200 13.331 4.065 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.716 13.883 3.345 1.00 0.00 H new ATOM 254 N VAL A 18 -0.984 7.259 2.477 1.00 0.00 N ATOM 255 CA VAL A 18 -1.609 6.839 3.733 1.00 0.00 C ATOM 256 C VAL A 18 -0.552 6.462 4.769 1.00 0.00 C ATOM 257 O VAL A 18 0.602 6.197 4.424 1.00 0.00 O ATOM 258 CB VAL A 18 -2.564 5.634 3.516 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.706 6.009 2.570 1.00 0.00 C ATOM 260 CG2 VAL A 18 -1.801 4.417 2.988 1.00 0.00 C ATOM 0 H VAL A 18 -0.570 6.495 1.943 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.189 7.686 4.100 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.994 5.369 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.362 5.149 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.275 6.835 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.296 6.310 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.493 3.587 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.332 4.666 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.033 4.129 3.706 1.00 0.00 H new ATOM 270 N LYS A 19 -0.954 6.443 6.038 1.00 0.00 N ATOM 271 CA LYS A 19 -0.065 6.076 7.138 1.00 0.00 C ATOM 272 C LYS A 19 -0.200 4.587 7.458 1.00 0.00 C ATOM 273 O LYS A 19 -1.316 4.085 7.626 1.00 0.00 O ATOM 274 CB LYS A 19 -0.399 6.895 8.393 1.00 0.00 C ATOM 275 CG LYS A 19 -0.301 8.406 8.201 1.00 0.00 C ATOM 276 CD LYS A 19 -0.737 9.163 9.456 1.00 0.00 C ATOM 277 CE LYS A 19 -2.186 8.857 9.828 1.00 0.00 C ATOM 278 NZ LYS A 19 -2.606 9.555 11.072 1.00 0.00 N ATOM 0 H LYS A 19 -1.901 6.681 6.332 1.00 0.00 H new ATOM 0 HA LYS A 19 0.959 6.288 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.410 6.646 8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.275 6.598 9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.725 8.676 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.924 8.707 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.084 8.896 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.622 10.235 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.840 9.154 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.306 7.782 9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.596 9.318 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.000 9.253 11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.517 10.583 10.940 1.00 0.00 H new ATOM 292 N ALA A 20 0.933 3.895 7.551 1.00 0.00 N ATOM 293 CA ALA A 20 0.956 2.467 7.868 1.00 0.00 C ATOM 294 C ALA A 20 2.356 2.045 8.310 1.00 0.00 C ATOM 295 O ALA A 20 3.338 2.724 8.007 1.00 0.00 O ATOM 296 CB ALA A 20 0.504 1.642 6.665 1.00 0.00 C ATOM 0 H ALA A 20 1.857 4.304 7.410 1.00 0.00 H new ATOM 0 HA ALA A 20 0.262 2.284 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.528 0.583 6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.512 1.926 6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.173 1.828 5.825 1.00 0.00 H new ATOM 302 N VAL A 21 2.444 0.931 9.032 1.00 0.00 N ATOM 303 CA VAL A 21 3.732 0.413 9.494 1.00 0.00 C ATOM 304 C VAL A 21 4.306 -0.559 8.462 1.00 0.00 C ATOM 305 O VAL A 21 3.824 -1.685 8.324 1.00 0.00 O ATOM 306 CB VAL A 21 3.603 -0.302 10.864 1.00 0.00 C ATOM 307 CG1 VAL A 21 4.961 -0.819 11.337 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.985 0.637 11.903 1.00 0.00 C ATOM 0 H VAL A 21 1.640 0.369 9.311 1.00 0.00 H new ATOM 0 HA VAL A 21 4.405 1.262 9.616 1.00 0.00 H new ATOM 0 HB VAL A 21 2.941 -1.159 10.742 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.846 -1.317 12.300 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.355 -1.527 10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.652 0.017 11.441 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.902 0.119 12.858 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.618 1.516 12.021 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.994 0.946 11.571 1.00 0.00 H new ATOM 318 N VAL A 22 5.321 -0.114 7.729 1.00 0.00 N ATOM 319 CA VAL A 22 5.909 -0.916 6.660 1.00 0.00 C ATOM 320 C VAL A 22 6.905 -1.946 7.207 1.00 0.00 C ATOM 321 O VAL A 22 7.949 -1.597 7.769 1.00 0.00 O ATOM 322 CB VAL A 22 6.589 -0.025 5.582 1.00 0.00 C ATOM 323 CG1 VAL A 22 5.539 0.746 4.779 1.00 0.00 C ATOM 324 CG2 VAL A 22 7.587 0.941 6.217 1.00 0.00 C ATOM 0 H VAL A 22 5.755 0.800 7.856 1.00 0.00 H new ATOM 0 HA VAL A 22 5.089 -1.456 6.186 1.00 0.00 H new ATOM 0 HB VAL A 22 7.135 -0.680 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.035 1.363 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.870 0.042 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.963 1.383 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.047 1.551 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.068 1.586 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.359 0.376 6.739 1.00 0.00 H new ATOM 334 N MET A 23 6.564 -3.223 7.038 1.00 0.00 N ATOM 335 CA MET A 23 7.404 -4.332 7.492 1.00 0.00 C ATOM 336 C MET A 23 8.202 -4.895 6.320 1.00 0.00 C ATOM 337 O MET A 23 7.862 -4.656 5.158 1.00 0.00 O ATOM 338 CB MET A 23 6.543 -5.446 8.110 1.00 0.00 C ATOM 339 CG MET A 23 5.815 -5.041 9.386 1.00 0.00 C ATOM 340 SD MET A 23 6.942 -4.619 10.731 1.00 0.00 S ATOM 341 CE MET A 23 5.783 -4.366 12.077 1.00 0.00 C ATOM 0 H MET A 23 5.700 -3.518 6.584 1.00 0.00 H new ATOM 0 HA MET A 23 8.089 -3.955 8.251 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.808 -5.772 7.374 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.180 -6.304 8.326 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.171 -4.187 9.176 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.167 -5.858 9.704 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.311 -3.962 12.941 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.009 -3.665 11.764 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.324 -5.317 12.345 1.00 0.00 H new ATOM 351 N THR A 24 9.249 -5.650 6.622 1.00 0.00 N ATOM 352 CA THR A 24 10.097 -6.227 5.590 1.00 0.00 C ATOM 353 C THR A 24 10.435 -7.681 5.914 1.00 0.00 C ATOM 354 O THR A 24 10.352 -8.110 7.069 1.00 0.00 O ATOM 355 CB THR A 24 11.397 -5.404 5.418 1.00 0.00 C ATOM 356 OG1 THR A 24 12.221 -5.963 4.385 1.00 0.00 O ATOM 357 CG2 THR A 24 12.179 -5.331 6.720 1.00 0.00 C ATOM 0 H THR A 24 9.531 -5.877 7.575 1.00 0.00 H new ATOM 0 HA THR A 24 9.543 -6.200 4.652 1.00 0.00 H new ATOM 0 HB THR A 24 11.109 -4.393 5.131 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.036 -5.427 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.086 -4.747 6.567 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.566 -4.856 7.486 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.446 -6.338 7.041 1.00 0.00 H new ATOM 365 N ARG A 25 10.800 -8.431 4.883 1.00 0.00 N ATOM 366 CA ARG A 25 11.148 -9.838 5.016 1.00 0.00 C ATOM 367 C ARG A 25 12.400 -10.118 4.188 1.00 0.00 C ATOM 368 O ARG A 25 12.330 -10.250 2.964 1.00 0.00 O ATOM 369 CB ARG A 25 9.967 -10.706 4.557 1.00 0.00 C ATOM 370 CG ARG A 25 10.141 -12.201 4.798 1.00 0.00 C ATOM 371 CD ARG A 25 8.837 -12.952 4.539 1.00 0.00 C ATOM 372 NE ARG A 25 8.932 -14.370 4.890 1.00 0.00 N ATOM 373 CZ ARG A 25 8.149 -14.978 5.784 1.00 0.00 C ATOM 374 NH1 ARG A 25 7.229 -14.287 6.456 1.00 0.00 N ATOM 375 NH2 ARG A 25 8.299 -16.273 6.017 1.00 0.00 N ATOM 0 H ARG A 25 10.863 -8.079 3.928 1.00 0.00 H new ATOM 0 HA ARG A 25 11.358 -10.082 6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.067 -10.372 5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.805 -10.540 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.924 -12.589 4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.466 -12.372 5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.034 -12.491 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.569 -12.858 3.487 1.00 0.00 H new ATOM 0 HE ARG A 25 9.643 -14.930 4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.119 -13.287 6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.634 -14.758 7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.011 -16.803 5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.703 -16.741 6.699 1.00 0.00 H new ATOM 389 N ASP A 26 13.544 -10.174 4.867 1.00 0.00 N ATOM 390 CA ASP A 26 14.842 -10.264 4.200 1.00 0.00 C ATOM 391 C ASP A 26 14.970 -11.554 3.395 1.00 0.00 C ATOM 392 O ASP A 26 15.145 -12.635 3.964 1.00 0.00 O ATOM 393 CB ASP A 26 15.984 -10.164 5.222 1.00 0.00 C ATOM 394 CG ASP A 26 17.362 -10.251 4.578 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.835 -9.232 4.030 1.00 0.00 O ATOM 396 OD2 ASP A 26 17.982 -11.336 4.620 1.00 0.00 O ATOM 0 H ASP A 26 13.598 -10.159 5.885 1.00 0.00 H new ATOM 0 HA ASP A 26 14.912 -9.426 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.900 -9.222 5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.880 -10.963 5.956 1.00 0.00 H new ATOM 401 N ASP A 27 14.852 -11.420 2.074 1.00 0.00 N ATOM 402 CA ASP A 27 15.012 -12.533 1.133 1.00 0.00 C ATOM 403 C ASP A 27 13.991 -13.645 1.393 1.00 0.00 C ATOM 404 O ASP A 27 12.998 -13.762 0.674 1.00 0.00 O ATOM 405 CB ASP A 27 16.446 -13.085 1.180 1.00 0.00 C ATOM 406 CG ASP A 27 16.693 -14.170 0.141 1.00 0.00 C ATOM 407 OD1 ASP A 27 16.989 -13.830 -1.026 1.00 0.00 O ATOM 408 OD2 ASP A 27 16.602 -15.365 0.484 1.00 0.00 O ATOM 0 H ASP A 27 14.641 -10.530 1.622 1.00 0.00 H new ATOM 0 HA ASP A 27 14.825 -12.145 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.150 -12.269 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.643 -13.488 2.174 1.00 0.00 H new ATOM 413 N SER A 28 14.228 -14.448 2.429 1.00 0.00 N ATOM 414 CA SER A 28 13.342 -15.559 2.758 1.00 0.00 C ATOM 415 C SER A 28 13.246 -15.771 4.274 1.00 0.00 C ATOM 416 O SER A 28 12.889 -16.862 4.731 1.00 0.00 O ATOM 417 CB SER A 28 13.840 -16.835 2.066 1.00 0.00 C ATOM 418 OG SER A 28 15.204 -17.084 2.369 1.00 0.00 O ATOM 0 H SER A 28 15.028 -14.348 3.054 1.00 0.00 H new ATOM 0 HA SER A 28 12.341 -15.320 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.234 -17.684 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.716 -16.739 0.987 1.00 0.00 H new ATOM 0 HG SER A 28 15.773 -16.534 1.791 1.00 0.00 H new ATOM 424 N SER A 29 13.539 -14.718 5.043 1.00 0.00 N ATOM 425 CA SER A 29 13.489 -14.784 6.508 1.00 0.00 C ATOM 426 C SER A 29 12.145 -15.345 6.987 1.00 0.00 C ATOM 427 O SER A 29 11.101 -15.067 6.393 1.00 0.00 O ATOM 428 CB SER A 29 13.726 -13.391 7.107 1.00 0.00 C ATOM 429 OG SER A 29 14.988 -12.871 6.715 1.00 0.00 O ATOM 0 H SER A 29 13.814 -13.807 4.675 1.00 0.00 H new ATOM 0 HA SER A 29 14.277 -15.456 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.935 -12.714 6.784 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.674 -13.446 8.194 1.00 0.00 H new ATOM 0 HG SER A 29 15.053 -12.872 5.737 1.00 0.00 H new ATOM 435 N GLY A 30 12.178 -16.138 8.056 1.00 0.00 N ATOM 436 CA GLY A 30 10.973 -16.773 8.567 1.00 0.00 C ATOM 437 C GLY A 30 10.149 -15.844 9.443 1.00 0.00 C ATOM 438 O GLY A 30 9.950 -16.113 10.633 1.00 0.00 O ATOM 0 H GLY A 30 13.025 -16.354 8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.363 -17.113 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.248 -17.658 9.141 1.00 0.00 H new ATOM 442 N GLY A 31 9.676 -14.750 8.859 1.00 0.00 N ATOM 443 CA GLY A 31 8.861 -13.797 9.591 1.00 0.00 C ATOM 444 C GLY A 31 8.865 -12.429 8.938 1.00 0.00 C ATOM 445 O GLY A 31 9.328 -12.277 7.806 1.00 0.00 O ATOM 0 H GLY A 31 9.844 -14.504 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.837 -14.167 9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.231 -13.712 10.613 1.00 0.00 H new ATOM 449 N TRP A 32 8.340 -11.437 9.649 1.00 0.00 N ATOM 450 CA TRP A 32 8.315 -10.057 9.170 1.00 0.00 C ATOM 451 C TRP A 32 8.902 -9.138 10.234 1.00 0.00 C ATOM 452 O TRP A 32 8.359 -9.028 11.338 1.00 0.00 O ATOM 453 CB TRP A 32 6.879 -9.627 8.817 1.00 0.00 C ATOM 454 CG TRP A 32 6.291 -10.409 7.677 1.00 0.00 C ATOM 455 CD1 TRP A 32 5.625 -11.600 7.747 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.327 -10.049 6.295 1.00 0.00 C ATOM 457 NE1 TRP A 32 5.239 -11.997 6.490 1.00 0.00 N ATOM 458 CE2 TRP A 32 5.657 -11.058 5.581 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.856 -8.962 5.593 1.00 0.00 C ATOM 460 CZ2 TRP A 32 5.507 -11.015 4.200 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.706 -8.920 4.224 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.036 -9.940 3.540 1.00 0.00 C ATOM 0 H TRP A 32 7.921 -11.564 10.570 1.00 0.00 H new ATOM 0 HA TRP A 32 8.917 -9.986 8.264 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.245 -9.745 9.696 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.876 -8.567 8.562 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.431 -12.149 8.657 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.726 -12.850 6.269 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.373 -8.170 6.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.992 -11.801 3.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 7.112 -8.086 3.670 1.00 0.00 H new ATOM 0 HH2 TRP A 32 5.934 -9.877 2.467 1.00 0.00 H new ATOM 473 N PHE A 33 10.019 -8.491 9.909 1.00 0.00 N ATOM 474 CA PHE A 33 10.723 -7.654 10.873 1.00 0.00 C ATOM 475 C PHE A 33 10.612 -6.177 10.496 1.00 0.00 C ATOM 476 O PHE A 33 10.515 -5.833 9.314 1.00 0.00 O ATOM 477 CB PHE A 33 12.199 -8.084 10.990 1.00 0.00 C ATOM 478 CG PHE A 33 13.065 -7.810 9.774 1.00 0.00 C ATOM 479 CD1 PHE A 33 13.070 -8.670 8.681 1.00 0.00 C ATOM 480 CD2 PHE A 33 13.905 -6.701 9.742 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.885 -8.425 7.592 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.724 -6.459 8.657 1.00 0.00 C ATOM 483 CZ PHE A 33 14.713 -7.322 7.580 1.00 0.00 C ATOM 0 H PHE A 33 10.454 -8.531 8.987 1.00 0.00 H new ATOM 0 HA PHE A 33 10.253 -7.787 11.847 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.639 -7.576 11.848 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.231 -9.153 11.202 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.429 -9.540 8.683 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.917 -6.019 10.579 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.873 -9.099 6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.372 -5.595 8.651 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.351 -7.134 6.729 1.00 0.00 H new ATOM 493 N PRO A 34 10.596 -5.282 11.502 1.00 0.00 N ATOM 494 CA PRO A 34 10.569 -3.838 11.275 1.00 0.00 C ATOM 495 C PRO A 34 11.949 -3.304 10.892 1.00 0.00 C ATOM 496 O PRO A 34 12.974 -3.922 11.196 1.00 0.00 O ATOM 497 CB PRO A 34 10.122 -3.281 12.629 1.00 0.00 C ATOM 498 CG PRO A 34 10.644 -4.264 13.624 1.00 0.00 C ATOM 499 CD PRO A 34 10.589 -5.611 12.947 1.00 0.00 C ATOM 0 HA PRO A 34 9.913 -3.552 10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.529 -2.285 12.803 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.037 -3.196 12.685 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.664 -4.017 13.918 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.040 -4.259 14.531 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.443 -6.231 13.220 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.692 -6.163 13.227 1.00 0.00 H new ATOM 507 N GLN A 35 11.966 -2.156 10.233 1.00 0.00 N ATOM 508 CA GLN A 35 13.205 -1.536 9.777 1.00 0.00 C ATOM 509 C GLN A 35 13.176 -0.033 10.072 1.00 0.00 C ATOM 510 O GLN A 35 12.500 0.394 11.011 1.00 0.00 O ATOM 511 CB GLN A 35 13.425 -1.845 8.277 1.00 0.00 C ATOM 512 CG GLN A 35 12.155 -1.799 7.423 1.00 0.00 C ATOM 513 CD GLN A 35 11.667 -0.392 7.134 1.00 0.00 C ATOM 514 OE1 GLN A 35 12.458 0.538 6.996 1.00 0.00 O ATOM 515 NE2 GLN A 35 10.358 -0.219 7.068 1.00 0.00 N ATOM 0 H GLN A 35 11.126 -1.628 9.999 1.00 0.00 H new ATOM 0 HA GLN A 35 14.054 -1.952 10.320 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.144 -1.131 7.874 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.873 -2.835 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.344 -2.310 6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.365 -2.351 7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.732 -1.015 7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.974 0.711 6.898 1.00 0.00 H new ATOM 524 N GLU A 36 13.902 0.756 9.281 1.00 0.00 N ATOM 525 CA GLU A 36 14.007 2.206 9.496 1.00 0.00 C ATOM 526 C GLU A 36 12.620 2.862 9.600 1.00 0.00 C ATOM 527 O GLU A 36 12.475 3.949 10.158 1.00 0.00 O ATOM 528 CB GLU A 36 14.823 2.839 8.357 1.00 0.00 C ATOM 529 CG GLU A 36 15.150 4.318 8.558 1.00 0.00 C ATOM 530 CD GLU A 36 15.927 4.589 9.842 1.00 0.00 C ATOM 531 OE1 GLU A 36 16.941 3.900 10.090 1.00 0.00 O ATOM 532 OE2 GLU A 36 15.545 5.510 10.596 1.00 0.00 O ATOM 0 H GLU A 36 14.431 0.416 8.478 1.00 0.00 H new ATOM 0 HA GLU A 36 14.519 2.377 10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.755 2.286 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.270 2.726 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.730 4.675 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.222 4.890 8.574 1.00 0.00 H new ATOM 539 N GLY A 37 11.610 2.194 9.051 1.00 0.00 N ATOM 540 CA GLY A 37 10.234 2.654 9.167 1.00 0.00 C ATOM 541 C GLY A 37 9.402 1.716 10.023 1.00 0.00 C ATOM 542 O GLY A 37 8.290 1.339 9.653 1.00 0.00 O ATOM 0 H GLY A 37 11.721 1.330 8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.219 3.654 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.791 2.731 8.174 1.00 0.00 H new ATOM 546 N GLY A 38 9.958 1.326 11.168 1.00 0.00 N ATOM 547 CA GLY A 38 9.270 0.420 12.073 1.00 0.00 C ATOM 548 C GLY A 38 8.104 1.080 12.787 1.00 0.00 C ATOM 549 O GLY A 38 7.222 0.394 13.313 1.00 0.00 O ATOM 0 H GLY A 38 10.880 1.624 11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.907 -0.441 11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.978 0.044 12.812 1.00 0.00 H new ATOM 553 N GLY A 39 8.108 2.409 12.822 1.00 0.00 N ATOM 554 CA GLY A 39 7.026 3.152 13.445 1.00 0.00 C ATOM 555 C GLY A 39 6.005 3.631 12.431 1.00 0.00 C ATOM 556 O GLY A 39 5.817 3.000 11.384 1.00 0.00 O ATOM 0 H GLY A 39 8.848 2.989 12.427 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.533 2.522 14.185 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.436 4.009 13.979 1.00 0.00 H new ATOM 560 N ILE A 40 5.351 4.750 12.734 1.00 0.00 N ATOM 561 CA ILE A 40 4.345 5.319 11.845 1.00 0.00 C ATOM 562 C ILE A 40 4.993 5.788 10.543 1.00 0.00 C ATOM 563 O ILE A 40 5.604 6.861 10.483 1.00 0.00 O ATOM 564 CB ILE A 40 3.589 6.501 12.512 1.00 0.00 C ATOM 565 CG1 ILE A 40 2.918 6.042 13.821 1.00 0.00 C ATOM 566 CG2 ILE A 40 2.554 7.095 11.553 1.00 0.00 C ATOM 567 CD1 ILE A 40 1.885 4.947 13.637 1.00 0.00 C ATOM 0 H ILE A 40 5.502 5.281 13.592 1.00 0.00 H new ATOM 0 HA ILE A 40 3.619 4.535 11.629 1.00 0.00 H new ATOM 0 HB ILE A 40 4.314 7.279 12.751 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.688 5.689 14.507 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.441 6.901 14.293 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.037 7.921 12.042 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.056 7.460 10.657 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.831 6.327 11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.460 4.681 14.605 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.092 5.302 12.978 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.359 4.070 13.196 1.00 0.00 H new ATOM 579 N SER A 41 4.883 4.956 9.515 1.00 0.00 N ATOM 580 CA SER A 41 5.443 5.260 8.207 1.00 0.00 C ATOM 581 C SER A 41 4.334 5.642 7.226 1.00 0.00 C ATOM 582 O SER A 41 3.161 5.732 7.603 1.00 0.00 O ATOM 583 CB SER A 41 6.230 4.049 7.696 1.00 0.00 C ATOM 584 OG SER A 41 7.238 3.675 8.621 1.00 0.00 O ATOM 0 H SER A 41 4.405 4.056 9.565 1.00 0.00 H new ATOM 0 HA SER A 41 6.120 6.110 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.552 3.212 7.533 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.683 4.284 6.733 1.00 0.00 H new ATOM 0 HG SER A 41 7.231 2.702 8.737 1.00 0.00 H new ATOM 590 N ARG A 42 4.709 5.859 5.972 1.00 0.00 N ATOM 591 CA ARG A 42 3.770 6.271 4.937 1.00 0.00 C ATOM 592 C ARG A 42 3.916 5.401 3.700 1.00 0.00 C ATOM 593 O ARG A 42 5.032 5.135 3.249 1.00 0.00 O ATOM 594 CB ARG A 42 4.017 7.730 4.541 1.00 0.00 C ATOM 595 CG ARG A 42 3.125 8.214 3.396 1.00 0.00 C ATOM 596 CD ARG A 42 3.680 9.467 2.735 1.00 0.00 C ATOM 597 NE ARG A 42 3.900 10.535 3.703 1.00 0.00 N ATOM 598 CZ ARG A 42 4.909 11.397 3.646 1.00 0.00 C ATOM 599 NH1 ARG A 42 5.810 11.322 2.670 1.00 0.00 N ATOM 600 NH2 ARG A 42 5.012 12.332 4.578 1.00 0.00 N ATOM 0 H ARG A 42 5.669 5.755 5.645 1.00 0.00 H new ATOM 0 HA ARG A 42 2.764 6.163 5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.854 8.366 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.061 7.847 4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.029 7.423 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.124 8.417 3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.619 9.229 2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.988 9.810 1.966 1.00 0.00 H new ATOM 0 HE ARG A 42 3.237 10.626 4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.730 10.598 1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.581 11.989 2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.322 12.384 5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.782 13.001 4.547 1.00 0.00 H new ATOM 614 N VAL A 43 2.790 4.969 3.153 1.00 0.00 N ATOM 615 CA VAL A 43 2.771 4.290 1.869 1.00 0.00 C ATOM 616 C VAL A 43 2.354 5.291 0.796 1.00 0.00 C ATOM 617 O VAL A 43 1.165 5.549 0.592 1.00 0.00 O ATOM 618 CB VAL A 43 1.804 3.084 1.874 1.00 0.00 C ATOM 619 CG1 VAL A 43 1.926 2.283 0.577 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.062 2.202 3.096 1.00 0.00 C ATOM 0 H VAL A 43 1.872 5.078 3.583 1.00 0.00 H new ATOM 0 HA VAL A 43 3.769 3.903 1.662 1.00 0.00 H new ATOM 0 HB VAL A 43 0.782 3.459 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.236 1.440 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.683 2.924 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.946 1.914 0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.374 1.357 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.088 1.835 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.908 2.785 4.004 1.00 0.00 H new ATOM 630 N GLY A 44 3.346 5.897 0.153 1.00 0.00 N ATOM 631 CA GLY A 44 3.088 6.961 -0.796 1.00 0.00 C ATOM 632 C GLY A 44 3.090 6.488 -2.233 1.00 0.00 C ATOM 633 O GLY A 44 4.134 6.452 -2.883 1.00 0.00 O ATOM 0 H GLY A 44 4.332 5.667 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.123 7.415 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.842 7.739 -0.675 1.00 0.00 H new ATOM 637 N VAL A 45 1.918 6.122 -2.734 1.00 0.00 N ATOM 638 CA VAL A 45 1.768 5.746 -4.130 1.00 0.00 C ATOM 639 C VAL A 45 1.773 7.004 -4.999 1.00 0.00 C ATOM 640 O VAL A 45 0.836 7.811 -4.951 1.00 0.00 O ATOM 641 CB VAL A 45 0.461 4.945 -4.373 1.00 0.00 C ATOM 642 CG1 VAL A 45 0.352 4.511 -5.835 1.00 0.00 C ATOM 643 CG2 VAL A 45 0.386 3.736 -3.439 1.00 0.00 C ATOM 0 H VAL A 45 1.056 6.078 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 45 2.606 5.102 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.383 5.598 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.572 3.951 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.348 5.392 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.203 3.880 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.538 3.189 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.239 3.082 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.404 4.075 -2.403 1.00 0.00 H new ATOM 653 N CYS A 46 2.841 7.185 -5.764 1.00 0.00 N ATOM 654 CA CYS A 46 2.998 8.356 -6.619 1.00 0.00 C ATOM 655 C CYS A 46 3.173 7.933 -8.075 1.00 0.00 C ATOM 656 O CYS A 46 3.884 6.975 -8.369 1.00 0.00 O ATOM 657 CB CYS A 46 4.194 9.193 -6.146 1.00 0.00 C ATOM 658 SG CYS A 46 5.723 8.252 -5.933 1.00 0.00 S ATOM 0 H CYS A 46 3.620 6.528 -5.810 1.00 0.00 H new ATOM 0 HA CYS A 46 2.098 8.968 -6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.370 9.992 -6.866 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.938 9.668 -5.199 1.00 0.00 H new ATOM 0 HG CYS A 46 5.436 7.025 -5.614 1.00 0.00 H new ATOM 664 N LYS A 47 2.506 8.638 -8.982 1.00 0.00 N ATOM 665 CA LYS A 47 2.590 8.326 -10.406 1.00 0.00 C ATOM 666 C LYS A 47 3.803 8.995 -11.042 1.00 0.00 C ATOM 667 O LYS A 47 3.920 10.223 -11.049 1.00 0.00 O ATOM 668 CB LYS A 47 1.315 8.761 -11.141 1.00 0.00 C ATOM 669 CG LYS A 47 0.113 7.851 -10.909 1.00 0.00 C ATOM 670 CD LYS A 47 -1.126 8.367 -11.645 1.00 0.00 C ATOM 671 CE LYS A 47 -1.476 9.801 -11.248 1.00 0.00 C ATOM 672 NZ LYS A 47 -2.510 10.393 -12.136 1.00 0.00 N ATOM 0 H LYS A 47 1.902 9.429 -8.758 1.00 0.00 H new ATOM 0 HA LYS A 47 2.697 7.245 -10.497 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.056 9.772 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.523 8.803 -12.210 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.347 6.842 -11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.096 7.787 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.954 8.321 -12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.973 7.715 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.833 9.814 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.576 10.415 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.716 11.365 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.161 10.405 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.379 9.823 -12.086 1.00 0.00 H new ATOM 686 N VAL A 48 4.704 8.175 -11.564 1.00 0.00 N ATOM 687 CA VAL A 48 5.853 8.656 -12.320 1.00 0.00 C ATOM 688 C VAL A 48 5.486 8.728 -13.797 1.00 0.00 C ATOM 689 O VAL A 48 5.140 7.709 -14.406 1.00 0.00 O ATOM 690 CB VAL A 48 7.077 7.725 -12.140 1.00 0.00 C ATOM 691 CG1 VAL A 48 8.307 8.291 -12.851 1.00 0.00 C ATOM 692 CG2 VAL A 48 7.359 7.486 -10.659 1.00 0.00 C ATOM 0 H VAL A 48 4.660 7.160 -11.476 1.00 0.00 H new ATOM 0 HA VAL A 48 6.120 9.644 -11.946 1.00 0.00 H new ATOM 0 HB VAL A 48 6.843 6.764 -12.599 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.152 7.617 -12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.098 8.390 -13.916 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.549 9.269 -12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.223 6.829 -10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.565 8.438 -10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.490 7.020 -10.194 1.00 0.00 H new ATOM 702 N MET A 49 5.531 9.928 -14.366 1.00 0.00 N ATOM 703 CA MET A 49 5.171 10.120 -15.766 1.00 0.00 C ATOM 704 C MET A 49 6.379 9.896 -16.663 1.00 0.00 C ATOM 705 O MET A 49 7.522 10.109 -16.254 1.00 0.00 O ATOM 706 CB MET A 49 4.598 11.522 -16.006 1.00 0.00 C ATOM 707 CG MET A 49 3.325 11.811 -15.220 1.00 0.00 C ATOM 708 SD MET A 49 2.574 13.395 -15.655 1.00 0.00 S ATOM 709 CE MET A 49 3.902 14.535 -15.264 1.00 0.00 C ATOM 0 H MET A 49 5.812 10.780 -13.881 1.00 0.00 H new ATOM 0 HA MET A 49 4.402 9.388 -16.012 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.353 12.263 -15.741 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.392 11.643 -17.070 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.605 11.012 -15.398 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.553 11.803 -14.154 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.513 15.553 -15.242 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.321 14.285 -14.289 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.681 14.461 -16.023 1.00 0.00 H new ATOM 719 N HIS A 50 6.113 9.455 -17.883 1.00 0.00 N ATOM 720 CA HIS A 50 7.154 9.188 -18.863 1.00 0.00 C ATOM 721 C HIS A 50 6.778 9.852 -20.186 1.00 0.00 C ATOM 722 O HIS A 50 5.603 10.153 -20.410 1.00 0.00 O ATOM 723 CB HIS A 50 7.334 7.671 -19.049 1.00 0.00 C ATOM 724 CG HIS A 50 7.806 6.959 -17.814 1.00 0.00 C ATOM 725 ND1 HIS A 50 9.086 6.481 -17.647 1.00 0.00 N ATOM 726 CD2 HIS A 50 7.138 6.642 -16.675 1.00 0.00 C ATOM 727 CE1 HIS A 50 9.158 5.899 -16.444 1.00 0.00 C ATOM 728 NE2 HIS A 50 8.000 5.969 -15.812 1.00 0.00 N ATOM 0 H HIS A 50 5.168 9.272 -18.222 1.00 0.00 H new ATOM 0 HA HIS A 50 8.100 9.600 -18.512 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.385 7.238 -19.366 1.00 0.00 H new ATOM 0 HB3 HIS A 50 8.048 7.496 -19.853 1.00 0.00 H new ATOM 0 HD1 HIS A 50 9.847 6.557 -18.322 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.103 6.875 -16.471 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.046 5.433 -16.043 1.00 0.00 H new ATOM 736 N PRO A 51 7.763 10.120 -21.067 1.00 0.00 N ATOM 737 CA PRO A 51 7.500 10.720 -22.380 1.00 0.00 C ATOM 738 C PRO A 51 6.419 9.957 -23.152 1.00 0.00 C ATOM 739 O PRO A 51 6.456 8.724 -23.223 1.00 0.00 O ATOM 740 CB PRO A 51 8.856 10.628 -23.094 1.00 0.00 C ATOM 741 CG PRO A 51 9.857 10.617 -21.990 1.00 0.00 C ATOM 742 CD PRO A 51 9.204 9.876 -20.852 1.00 0.00 C ATOM 0 HA PRO A 51 7.124 11.740 -22.302 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.925 9.726 -23.701 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.011 11.475 -23.763 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.777 10.123 -22.301 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.124 11.631 -21.694 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.440 8.812 -20.877 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.535 10.253 -19.884 1.00 0.00 H new ATOM 750 N GLU A 52 5.458 10.704 -23.706 1.00 0.00 N ATOM 751 CA GLU A 52 4.345 10.138 -24.470 1.00 0.00 C ATOM 752 C GLU A 52 3.363 9.424 -23.529 1.00 0.00 C ATOM 753 O GLU A 52 3.365 8.195 -23.417 1.00 0.00 O ATOM 754 CB GLU A 52 4.856 9.178 -25.568 1.00 0.00 C ATOM 755 CG GLU A 52 3.814 8.801 -26.617 1.00 0.00 C ATOM 756 CD GLU A 52 3.406 9.979 -27.486 1.00 0.00 C ATOM 757 OE1 GLU A 52 4.127 10.279 -28.465 1.00 0.00 O ATOM 758 OE2 GLU A 52 2.368 10.615 -27.195 1.00 0.00 O ATOM 0 H GLU A 52 5.432 11.721 -23.636 1.00 0.00 H new ATOM 0 HA GLU A 52 3.818 10.954 -24.965 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.706 9.640 -26.069 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.222 8.267 -25.094 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.212 8.008 -27.250 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.932 8.399 -26.119 1.00 0.00 H new ATOM 765 N GLY A 53 2.536 10.210 -22.840 1.00 0.00 N ATOM 766 CA GLY A 53 1.578 9.658 -21.890 1.00 0.00 C ATOM 767 C GLY A 53 1.722 10.273 -20.508 1.00 0.00 C ATOM 768 O GLY A 53 2.782 10.183 -19.887 1.00 0.00 O ATOM 0 H GLY A 53 2.512 11.226 -22.923 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.566 9.827 -22.257 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.717 8.579 -21.822 1.00 0.00 H new ATOM 772 N ASN A 54 0.659 10.915 -20.026 1.00 0.00 N ATOM 773 CA ASN A 54 0.663 11.551 -18.705 1.00 0.00 C ATOM 774 C ASN A 54 -0.520 11.072 -17.861 1.00 0.00 C ATOM 775 O ASN A 54 -0.638 11.427 -16.687 1.00 0.00 O ATOM 776 CB ASN A 54 0.630 13.084 -18.844 1.00 0.00 C ATOM 777 CG ASN A 54 1.895 13.662 -19.470 1.00 0.00 C ATOM 778 OD1 ASN A 54 3.039 13.049 -19.196 1.00 0.00 O flip ATOM 779 ND2 ASN A 54 1.845 14.661 -20.188 1.00 0.00 N flip ATOM 0 H ASN A 54 -0.222 11.010 -20.532 1.00 0.00 H new ATOM 0 HA ASN A 54 1.584 11.264 -18.197 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.230 13.368 -19.451 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.485 13.528 -17.859 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.948 15.108 -20.378 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.701 15.042 -20.592 1.00 0.00 H new ATOM 786 N GLY A 55 -1.393 10.267 -18.462 1.00 0.00 N ATOM 787 CA GLY A 55 -2.545 9.744 -17.746 1.00 0.00 C ATOM 788 C GLY A 55 -2.203 8.493 -16.961 1.00 0.00 C ATOM 789 O GLY A 55 -2.051 8.538 -15.737 1.00 0.00 O ATOM 0 H GLY A 55 -1.323 9.967 -19.434 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.927 10.506 -17.066 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.342 9.521 -18.455 1.00 0.00 H new ATOM 793 N ARG A 56 -2.076 7.375 -17.665 1.00 0.00 N ATOM 794 CA ARG A 56 -1.706 6.110 -17.042 1.00 0.00 C ATOM 795 C ARG A 56 -0.193 6.075 -16.846 1.00 0.00 C ATOM 796 O ARG A 56 0.557 5.781 -17.775 1.00 0.00 O ATOM 797 CB ARG A 56 -2.201 4.931 -17.909 1.00 0.00 C ATOM 798 CG ARG A 56 -2.016 3.542 -17.282 1.00 0.00 C ATOM 799 CD ARG A 56 -0.675 2.902 -17.646 1.00 0.00 C ATOM 800 NE ARG A 56 -0.517 2.756 -19.098 1.00 0.00 N ATOM 801 CZ ARG A 56 -0.506 1.584 -19.744 1.00 0.00 C ATOM 802 NH1 ARG A 56 -0.638 0.445 -19.076 1.00 0.00 N ATOM 803 NH2 ARG A 56 -0.359 1.560 -21.061 1.00 0.00 N ATOM 0 H ARG A 56 -2.225 7.319 -18.673 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.180 6.017 -16.065 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.259 5.078 -18.125 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.675 4.955 -18.863 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.092 3.625 -16.198 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.826 2.890 -17.609 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.138 3.512 -17.251 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.599 1.924 -17.172 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.408 3.605 -19.652 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.749 0.458 -18.062 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.629 -0.444 -19.576 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.255 2.433 -21.579 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.350 0.669 -21.557 1.00 0.00 H new ATOM 817 N SER A 57 0.245 6.422 -15.641 1.00 0.00 N ATOM 818 CA SER A 57 1.666 6.509 -15.321 1.00 0.00 C ATOM 819 C SER A 57 2.085 5.367 -14.395 1.00 0.00 C ATOM 820 O SER A 57 1.244 4.592 -13.933 1.00 0.00 O ATOM 821 CB SER A 57 1.953 7.861 -14.658 1.00 0.00 C ATOM 822 OG SER A 57 1.421 8.928 -15.429 1.00 0.00 O ATOM 0 H SER A 57 -0.371 6.650 -14.861 1.00 0.00 H new ATOM 0 HA SER A 57 2.243 6.424 -16.242 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.520 7.879 -13.658 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.029 7.992 -14.542 1.00 0.00 H new ATOM 0 HG SER A 57 1.029 9.599 -14.832 1.00 0.00 H new ATOM 828 N GLY A 58 3.386 5.273 -14.126 1.00 0.00 N ATOM 829 CA GLY A 58 3.903 4.241 -13.245 1.00 0.00 C ATOM 830 C GLY A 58 3.584 4.521 -11.792 1.00 0.00 C ATOM 831 O GLY A 58 3.549 5.678 -11.382 1.00 0.00 O ATOM 0 H GLY A 58 4.095 5.899 -14.507 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.481 3.277 -13.529 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.983 4.165 -13.371 1.00 0.00 H new ATOM 835 N PHE A 59 3.374 3.473 -11.005 1.00 0.00 N ATOM 836 CA PHE A 59 3.009 3.631 -9.602 1.00 0.00 C ATOM 837 C PHE A 59 4.213 3.363 -8.703 1.00 0.00 C ATOM 838 O PHE A 59 4.550 2.216 -8.412 1.00 0.00 O ATOM 839 CB PHE A 59 1.848 2.690 -9.246 1.00 0.00 C ATOM 840 CG PHE A 59 0.679 2.797 -10.196 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.011 4.004 -10.360 1.00 0.00 C ATOM 842 CD2 PHE A 59 0.253 1.697 -10.927 1.00 0.00 C ATOM 843 CE1 PHE A 59 -1.056 4.109 -11.232 1.00 0.00 C ATOM 844 CE2 PHE A 59 -0.814 1.796 -11.799 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.469 3.003 -11.955 1.00 0.00 C ATOM 0 H PHE A 59 3.450 2.504 -11.314 1.00 0.00 H new ATOM 0 HA PHE A 59 2.684 4.659 -9.440 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.211 1.662 -9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.507 2.912 -8.235 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.329 4.871 -9.799 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.762 0.751 -10.813 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.567 5.053 -11.349 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.136 0.930 -12.359 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.301 3.083 -12.639 1.00 0.00 H new ATOM 855 N LEU A 60 4.881 4.432 -8.296 1.00 0.00 N ATOM 856 CA LEU A 60 6.031 4.334 -7.410 1.00 0.00 C ATOM 857 C LEU A 60 5.547 4.201 -5.968 1.00 0.00 C ATOM 858 O LEU A 60 4.990 5.150 -5.406 1.00 0.00 O ATOM 859 CB LEU A 60 6.927 5.583 -7.567 1.00 0.00 C ATOM 860 CG LEU A 60 8.413 5.430 -7.164 1.00 0.00 C ATOM 861 CD1 LEU A 60 9.169 6.735 -7.403 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.569 4.990 -5.710 1.00 0.00 C ATOM 0 H LEU A 60 4.643 5.386 -8.568 1.00 0.00 H new ATOM 0 HA LEU A 60 6.619 3.454 -7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.888 5.900 -8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.495 6.388 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 60 8.840 4.648 -7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.212 6.609 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.114 6.999 -8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.721 7.530 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.628 4.895 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.114 5.732 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.077 4.028 -5.566 1.00 0.00 H new ATOM 874 N ILE A 61 5.731 3.021 -5.384 1.00 0.00 N ATOM 875 CA ILE A 61 5.426 2.816 -3.975 1.00 0.00 C ATOM 876 C ILE A 61 6.521 3.465 -3.131 1.00 0.00 C ATOM 877 O ILE A 61 7.524 2.833 -2.785 1.00 0.00 O ATOM 878 CB ILE A 61 5.297 1.311 -3.617 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.247 0.635 -4.517 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.932 1.141 -2.141 1.00 0.00 C ATOM 881 CD1 ILE A 61 4.104 -0.857 -4.283 1.00 0.00 C ATOM 0 H ILE A 61 6.089 2.195 -5.864 1.00 0.00 H new ATOM 0 HA ILE A 61 4.461 3.278 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 61 6.260 0.829 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.281 1.113 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.514 0.805 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.846 0.080 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.709 1.587 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.981 1.635 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.346 -1.260 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.058 -1.349 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.806 -1.036 -3.250 1.00 0.00 H new ATOM 893 N HIS A 62 6.343 4.752 -2.866 1.00 0.00 N ATOM 894 CA HIS A 62 7.327 5.546 -2.141 1.00 0.00 C ATOM 895 C HIS A 62 7.041 5.488 -0.642 1.00 0.00 C ATOM 896 O HIS A 62 6.127 6.150 -0.143 1.00 0.00 O ATOM 897 CB HIS A 62 7.295 6.997 -2.649 1.00 0.00 C ATOM 898 CG HIS A 62 8.504 7.802 -2.282 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.469 8.926 -1.491 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.802 7.645 -2.652 1.00 0.00 C ATOM 901 CE1 HIS A 62 9.711 9.411 -1.408 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.561 8.668 -2.095 1.00 0.00 N ATOM 0 H HIS A 62 5.514 5.275 -3.147 1.00 0.00 H new ATOM 0 HA HIS A 62 8.323 5.139 -2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.194 6.988 -3.734 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.409 7.490 -2.250 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.640 9.320 -1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.183 6.852 -3.279 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.985 10.295 -0.852 1.00 0.00 H new ATOM 910 N GLY A 63 7.804 4.662 0.063 1.00 0.00 N ATOM 911 CA GLY A 63 7.602 4.482 1.487 1.00 0.00 C ATOM 912 C GLY A 63 8.441 5.439 2.310 1.00 0.00 C ATOM 913 O GLY A 63 9.670 5.361 2.297 1.00 0.00 O ATOM 0 H GLY A 63 8.565 4.109 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.548 4.629 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.850 3.456 1.761 1.00 0.00 H new ATOM 917 N GLU A 64 7.782 6.342 3.023 1.00 0.00 N ATOM 918 CA GLU A 64 8.467 7.320 3.868 1.00 0.00 C ATOM 919 C GLU A 64 8.054 7.164 5.325 1.00 0.00 C ATOM 920 O GLU A 64 7.402 6.191 5.698 1.00 0.00 O ATOM 921 CB GLU A 64 8.150 8.751 3.414 1.00 0.00 C ATOM 922 CG GLU A 64 8.808 9.163 2.107 1.00 0.00 C ATOM 923 CD GLU A 64 8.743 10.665 1.900 1.00 0.00 C ATOM 924 OE1 GLU A 64 9.303 11.401 2.739 1.00 0.00 O ATOM 925 OE2 GLU A 64 8.127 11.119 0.912 1.00 0.00 O ATOM 0 H GLU A 64 6.765 6.420 3.035 1.00 0.00 H new ATOM 0 HA GLU A 64 9.537 7.137 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.070 8.854 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.462 9.443 4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.849 8.839 2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.315 8.659 1.276 1.00 0.00 H new ATOM 932 N ARG A 65 8.462 8.128 6.141 1.00 0.00 N ATOM 933 CA ARG A 65 7.976 8.250 7.509 1.00 0.00 C ATOM 934 C ARG A 65 6.644 9.000 7.511 1.00 0.00 C ATOM 935 O ARG A 65 6.097 9.312 6.450 1.00 0.00 O ATOM 936 CB ARG A 65 9.000 9.002 8.377 1.00 0.00 C ATOM 937 CG ARG A 65 10.247 8.194 8.723 1.00 0.00 C ATOM 938 CD ARG A 65 9.933 7.036 9.666 1.00 0.00 C ATOM 939 NE ARG A 65 11.150 6.380 10.155 1.00 0.00 N ATOM 940 CZ ARG A 65 11.784 6.721 11.280 1.00 0.00 C ATOM 941 NH1 ARG A 65 11.343 7.725 12.028 1.00 0.00 N ATOM 942 NH2 ARG A 65 12.865 6.055 11.654 1.00 0.00 N ATOM 0 H ARG A 65 9.137 8.845 5.874 1.00 0.00 H new ATOM 0 HA ARG A 65 7.834 7.253 7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.303 9.910 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.515 9.313 9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.693 7.806 7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.986 8.848 9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.355 7.405 10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.310 6.306 9.149 1.00 0.00 H new ATOM 0 HE ARG A 65 11.536 5.615 9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.512 8.245 11.746 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.835 7.977 12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.212 5.284 11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.351 6.313 12.513 1.00 0.00 H new ATOM 956 N GLN A 66 6.131 9.283 8.703 1.00 0.00 N ATOM 957 CA GLN A 66 4.894 10.050 8.858 1.00 0.00 C ATOM 958 C GLN A 66 4.989 11.405 8.144 1.00 0.00 C ATOM 959 O GLN A 66 4.004 11.899 7.587 1.00 0.00 O ATOM 960 CB GLN A 66 4.593 10.257 10.349 1.00 0.00 C ATOM 961 CG GLN A 66 5.708 10.979 11.104 1.00 0.00 C ATOM 962 CD GLN A 66 5.399 11.178 12.575 1.00 0.00 C ATOM 963 OE1 GLN A 66 4.243 11.300 12.970 1.00 0.00 O ATOM 964 NE2 GLN A 66 6.436 11.218 13.397 1.00 0.00 N ATOM 0 H GLN A 66 6.554 8.992 9.584 1.00 0.00 H new ATOM 0 HA GLN A 66 4.081 9.486 8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.670 10.828 10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.420 9.287 10.814 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.632 10.409 11.007 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.882 11.950 10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.382 11.113 13.030 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.289 11.354 14.397 1.00 0.00 H new ATOM 973 N LYS A 67 6.185 11.996 8.158 1.00 0.00 N ATOM 974 CA LYS A 67 6.416 13.299 7.539 1.00 0.00 C ATOM 975 C LYS A 67 7.394 13.165 6.371 1.00 0.00 C ATOM 976 O LYS A 67 8.284 12.311 6.393 1.00 0.00 O ATOM 977 CB LYS A 67 6.958 14.298 8.575 1.00 0.00 C ATOM 978 CG LYS A 67 7.083 15.725 8.047 1.00 0.00 C ATOM 979 CD LYS A 67 7.579 16.694 9.118 1.00 0.00 C ATOM 980 CE LYS A 67 7.593 18.135 8.613 1.00 0.00 C ATOM 981 NZ LYS A 67 8.042 19.090 9.660 1.00 0.00 N ATOM 0 H LYS A 67 7.012 11.589 8.594 1.00 0.00 H new ATOM 0 HA LYS A 67 5.466 13.675 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.301 14.298 9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.937 13.959 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.770 15.739 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.114 16.060 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.939 16.623 9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.583 16.408 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.252 18.209 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.594 18.410 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.036 20.056 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.398 19.039 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.006 18.844 9.964 1.00 0.00 H new ATOM 995 N ASP A 68 7.212 14.009 5.356 1.00 0.00 N ATOM 996 CA ASP A 68 8.046 13.980 4.154 1.00 0.00 C ATOM 997 C ASP A 68 9.468 14.416 4.492 1.00 0.00 C ATOM 998 O ASP A 68 9.716 15.604 4.718 1.00 0.00 O ATOM 999 CB ASP A 68 7.464 14.910 3.072 1.00 0.00 C ATOM 1000 CG ASP A 68 5.989 14.658 2.791 1.00 0.00 C ATOM 1001 OD1 ASP A 68 5.159 14.904 3.696 1.00 0.00 O ATOM 1002 OD2 ASP A 68 5.643 14.231 1.671 1.00 0.00 O ATOM 0 H ASP A 68 6.488 14.727 5.343 1.00 0.00 H new ATOM 0 HA ASP A 68 8.063 12.959 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.595 15.946 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.030 14.781 2.149 1.00 0.00 H new ATOM 1007 N LYS A 69 10.392 13.456 4.540 1.00 0.00 N ATOM 1008 CA LYS A 69 11.794 13.744 4.857 1.00 0.00 C ATOM 1009 C LYS A 69 12.665 12.487 4.755 1.00 0.00 C ATOM 1010 O LYS A 69 13.798 12.548 4.273 1.00 0.00 O ATOM 1011 CB LYS A 69 11.936 14.369 6.259 1.00 0.00 C ATOM 1012 CG LYS A 69 11.413 13.501 7.405 1.00 0.00 C ATOM 1013 CD LYS A 69 11.695 14.136 8.769 1.00 0.00 C ATOM 1014 CE LYS A 69 13.195 14.320 9.004 1.00 0.00 C ATOM 1015 NZ LYS A 69 13.492 14.914 10.335 1.00 0.00 N ATOM 0 H LYS A 69 10.196 12.471 4.363 1.00 0.00 H new ATOM 0 HA LYS A 69 12.143 14.465 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.989 14.588 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.406 15.321 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.340 13.351 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.879 12.517 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.195 15.102 8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.277 13.509 9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.694 13.355 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.606 14.960 8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.521 15.019 10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.039 15.847 10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.124 14.292 11.083 1.00 0.00 H new ATOM 1029 N LEU A 70 12.138 11.349 5.199 1.00 0.00 N ATOM 1030 CA LEU A 70 12.911 10.108 5.233 1.00 0.00 C ATOM 1031 C LEU A 70 12.235 9.012 4.415 1.00 0.00 C ATOM 1032 O LEU A 70 11.136 8.566 4.750 1.00 0.00 O ATOM 1033 CB LEU A 70 13.104 9.636 6.683 1.00 0.00 C ATOM 1034 CG LEU A 70 13.871 8.308 6.849 1.00 0.00 C ATOM 1035 CD1 LEU A 70 15.275 8.409 6.256 1.00 0.00 C ATOM 1036 CD2 LEU A 70 13.931 7.900 8.320 1.00 0.00 C ATOM 0 H LEU A 70 11.181 11.259 5.540 1.00 0.00 H new ATOM 0 HA LEU A 70 13.886 10.312 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.634 10.414 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.123 9.530 7.147 1.00 0.00 H new ATOM 0 HG LEU A 70 13.331 7.535 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.794 7.459 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.205 8.642 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.829 9.198 6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.476 6.961 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.441 8.675 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.919 7.772 8.704 1.00 0.00 H new ATOM 1048 N VAL A 71 12.906 8.587 3.350 1.00 0.00 N ATOM 1049 CA VAL A 71 12.425 7.497 2.507 1.00 0.00 C ATOM 1050 C VAL A 71 12.934 6.160 3.045 1.00 0.00 C ATOM 1051 O VAL A 71 14.134 5.873 2.990 1.00 0.00 O ATOM 1052 CB VAL A 71 12.896 7.674 1.041 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.275 6.611 0.136 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.576 9.083 0.539 1.00 0.00 C ATOM 0 H VAL A 71 13.795 8.986 3.047 1.00 0.00 H new ATOM 0 HA VAL A 71 11.335 7.512 2.525 1.00 0.00 H new ATOM 0 HB VAL A 71 13.978 7.543 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.621 6.757 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.571 5.621 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.189 6.696 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.914 9.188 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.500 9.251 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.085 9.816 1.164 1.00 0.00 H new ATOM 1064 N VAL A 72 12.029 5.352 3.581 1.00 0.00 N ATOM 1065 CA VAL A 72 12.397 4.069 4.174 1.00 0.00 C ATOM 1066 C VAL A 72 12.325 2.939 3.142 1.00 0.00 C ATOM 1067 O VAL A 72 13.154 2.029 3.153 1.00 0.00 O ATOM 1068 CB VAL A 72 11.509 3.734 5.403 1.00 0.00 C ATOM 1069 CG1 VAL A 72 11.705 4.778 6.502 1.00 0.00 C ATOM 1070 CG2 VAL A 72 10.034 3.638 5.012 1.00 0.00 C ATOM 0 H VAL A 72 11.031 5.561 3.618 1.00 0.00 H new ATOM 0 HA VAL A 72 13.428 4.158 4.515 1.00 0.00 H new ATOM 0 HB VAL A 72 11.817 2.761 5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.076 4.529 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.750 4.789 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.429 5.762 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.438 3.402 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.705 4.590 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.905 2.853 4.267 1.00 0.00 H new ATOM 1080 N LEU A 73 11.340 3.009 2.245 1.00 0.00 N ATOM 1081 CA LEU A 73 11.168 2.010 1.183 1.00 0.00 C ATOM 1082 C LEU A 73 10.929 2.700 -0.157 1.00 0.00 C ATOM 1083 O LEU A 73 10.394 3.807 -0.207 1.00 0.00 O ATOM 1084 CB LEU A 73 9.986 1.053 1.481 1.00 0.00 C ATOM 1085 CG LEU A 73 10.293 -0.177 2.361 1.00 0.00 C ATOM 1086 CD1 LEU A 73 11.494 -0.955 1.823 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.508 0.215 3.819 1.00 0.00 C ATOM 0 H LEU A 73 10.642 3.753 2.232 1.00 0.00 H new ATOM 0 HA LEU A 73 12.084 1.422 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.196 1.628 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.587 0.700 0.530 1.00 0.00 H new ATOM 0 HG LEU A 73 9.421 -0.830 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.686 -1.816 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.282 -1.297 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.371 -0.308 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.722 -0.677 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.348 0.906 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.608 0.696 4.203 1.00 0.00 H new ATOM 1099 N GLU A 74 11.327 2.038 -1.237 1.00 0.00 N ATOM 1100 CA GLU A 74 11.086 2.535 -2.586 1.00 0.00 C ATOM 1101 C GLU A 74 10.871 1.349 -3.522 1.00 0.00 C ATOM 1102 O GLU A 74 11.770 0.525 -3.710 1.00 0.00 O ATOM 1103 CB GLU A 74 12.267 3.412 -3.049 1.00 0.00 C ATOM 1104 CG GLU A 74 12.052 4.142 -4.380 1.00 0.00 C ATOM 1105 CD GLU A 74 12.303 3.271 -5.606 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.479 2.942 -5.867 1.00 0.00 O ATOM 1107 OE2 GLU A 74 11.340 2.917 -6.317 1.00 0.00 O ATOM 0 H GLU A 74 11.823 1.147 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 74 10.191 3.157 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.475 4.152 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.154 2.784 -3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.030 4.519 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.712 5.008 -4.420 1.00 0.00 H new ATOM 1114 N CYS A 75 9.668 1.250 -4.080 1.00 0.00 N ATOM 1115 CA CYS A 75 9.316 0.149 -4.965 1.00 0.00 C ATOM 1116 C CYS A 75 8.453 0.646 -6.126 1.00 0.00 C ATOM 1117 O CYS A 75 7.221 0.610 -6.068 1.00 0.00 O ATOM 1118 CB CYS A 75 8.599 -0.957 -4.171 1.00 0.00 C ATOM 1119 SG CYS A 75 8.091 -2.383 -5.158 1.00 0.00 S ATOM 0 H CYS A 75 8.917 1.925 -3.932 1.00 0.00 H new ATOM 0 HA CYS A 75 10.229 -0.271 -5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 75 9.259 -1.300 -3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.717 -0.530 -3.693 1.00 0.00 H new ATOM 0 HG CYS A 75 6.836 -2.639 -4.936 1.00 0.00 H new ATOM 1125 N TYR A 76 9.111 1.159 -7.160 1.00 0.00 N ATOM 1126 CA TYR A 76 8.435 1.593 -8.382 1.00 0.00 C ATOM 1127 C TYR A 76 7.878 0.392 -9.143 1.00 0.00 C ATOM 1128 O TYR A 76 8.621 -0.526 -9.497 1.00 0.00 O ATOM 1129 CB TYR A 76 9.408 2.383 -9.273 1.00 0.00 C ATOM 1130 CG TYR A 76 8.866 2.711 -10.658 1.00 0.00 C ATOM 1131 CD1 TYR A 76 7.951 3.741 -10.851 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.276 1.985 -11.775 1.00 0.00 C ATOM 1133 CE1 TYR A 76 7.462 4.036 -12.113 1.00 0.00 C ATOM 1134 CE2 TYR A 76 8.793 2.277 -13.035 1.00 0.00 C ATOM 1135 CZ TYR A 76 7.887 3.302 -13.200 1.00 0.00 C ATOM 1136 OH TYR A 76 7.406 3.593 -14.460 1.00 0.00 O ATOM 0 H TYR A 76 10.123 1.286 -7.177 1.00 0.00 H new ATOM 0 HA TYR A 76 7.603 2.242 -8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.670 3.313 -8.769 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.329 1.810 -9.383 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.616 4.320 -10.003 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.985 1.179 -11.653 1.00 0.00 H new ATOM 0 HE1 TYR A 76 6.751 4.838 -12.245 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.124 1.704 -13.888 1.00 0.00 H new ATOM 0 HH TYR A 76 7.880 4.372 -14.819 1.00 0.00 H new ATOM 1146 N VAL A 77 6.571 0.401 -9.385 1.00 0.00 N ATOM 1147 CA VAL A 77 5.913 -0.659 -10.137 1.00 0.00 C ATOM 1148 C VAL A 77 4.980 -0.061 -11.190 1.00 0.00 C ATOM 1149 O VAL A 77 4.092 0.732 -10.874 1.00 0.00 O ATOM 1150 CB VAL A 77 5.119 -1.619 -9.209 1.00 0.00 C ATOM 1151 CG1 VAL A 77 6.067 -2.443 -8.337 1.00 0.00 C ATOM 1152 CG2 VAL A 77 4.125 -0.848 -8.339 1.00 0.00 C ATOM 0 H VAL A 77 5.942 1.139 -9.067 1.00 0.00 H new ATOM 0 HA VAL A 77 6.691 -1.241 -10.631 1.00 0.00 H new ATOM 0 HB VAL A 77 4.555 -2.302 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.487 -3.107 -7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.724 -3.035 -8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.666 -1.775 -7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.584 -1.545 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.664 -0.131 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.418 -0.317 -8.977 1.00 0.00 H new ATOM 1162 N ARG A 78 5.205 -0.417 -12.448 1.00 0.00 N ATOM 1163 CA ARG A 78 4.374 0.069 -13.552 1.00 0.00 C ATOM 1164 C ARG A 78 3.527 -1.069 -14.115 1.00 0.00 C ATOM 1165 O ARG A 78 2.441 -0.850 -14.654 1.00 0.00 O ATOM 1166 CB ARG A 78 5.253 0.704 -14.642 1.00 0.00 C ATOM 1167 CG ARG A 78 6.413 -0.177 -15.102 1.00 0.00 C ATOM 1168 CD ARG A 78 7.392 0.590 -15.986 1.00 0.00 C ATOM 1169 NE ARG A 78 6.795 0.983 -17.265 1.00 0.00 N ATOM 1170 CZ ARG A 78 6.915 2.195 -17.814 1.00 0.00 C ATOM 1171 NH1 ARG A 78 7.477 3.188 -17.136 1.00 0.00 N ATOM 1172 NH2 ARG A 78 6.437 2.413 -19.032 1.00 0.00 N ATOM 0 H ARG A 78 5.958 -1.043 -12.734 1.00 0.00 H new ATOM 0 HA ARG A 78 3.698 0.838 -13.177 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.629 0.943 -15.503 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.653 1.646 -14.267 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.939 -0.568 -14.231 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.023 -1.034 -15.651 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.734 1.480 -15.458 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.271 -0.027 -16.172 1.00 0.00 H new ATOM 0 HE ARG A 78 6.251 0.284 -17.770 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.821 3.028 -16.189 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.565 4.111 -17.562 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.981 1.658 -19.544 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.525 3.336 -19.457 1.00 0.00 H new ATOM 1186 N LYS A 79 4.040 -2.284 -13.980 1.00 0.00 N ATOM 1187 CA LYS A 79 3.313 -3.499 -14.343 1.00 0.00 C ATOM 1188 C LYS A 79 3.871 -4.661 -13.529 1.00 0.00 C ATOM 1189 O LYS A 79 3.728 -5.832 -13.884 1.00 0.00 O ATOM 1190 CB LYS A 79 3.442 -3.772 -15.852 1.00 0.00 C ATOM 1191 CG LYS A 79 4.882 -3.960 -16.333 1.00 0.00 C ATOM 1192 CD LYS A 79 4.955 -4.121 -17.853 1.00 0.00 C ATOM 1193 CE LYS A 79 4.144 -5.320 -18.342 1.00 0.00 C ATOM 1194 NZ LYS A 79 4.191 -5.453 -19.822 1.00 0.00 N ATOM 0 H LYS A 79 4.976 -2.459 -13.614 1.00 0.00 H new ATOM 0 HA LYS A 79 2.253 -3.378 -14.121 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.869 -4.665 -16.099 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.993 -2.944 -16.400 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.482 -3.102 -16.029 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.314 -4.838 -15.853 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.585 -3.214 -18.332 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.995 -4.240 -18.155 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.529 -6.231 -17.883 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.108 -5.214 -18.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.629 -6.278 -20.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.800 -4.595 -20.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.177 -5.580 -20.128 1.00 0.00 H new ATOM 1208 N ASP A 80 4.492 -4.300 -12.410 1.00 0.00 N ATOM 1209 CA ASP A 80 5.232 -5.236 -11.569 1.00 0.00 C ATOM 1210 C ASP A 80 4.545 -5.367 -10.212 1.00 0.00 C ATOM 1211 O ASP A 80 5.075 -5.970 -9.281 1.00 0.00 O ATOM 1212 CB ASP A 80 6.668 -4.714 -11.374 1.00 0.00 C ATOM 1213 CG ASP A 80 7.216 -4.020 -12.615 1.00 0.00 C ATOM 1214 OD1 ASP A 80 6.813 -2.858 -12.878 1.00 0.00 O ATOM 1215 OD2 ASP A 80 8.039 -4.624 -13.334 1.00 0.00 O ATOM 0 H ASP A 80 4.496 -3.342 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 80 5.259 -6.214 -12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.686 -4.018 -10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.320 -5.547 -11.111 1.00 0.00 H new ATOM 1220 N LEU A 81 3.349 -4.796 -10.122 1.00 0.00 N ATOM 1221 CA LEU A 81 2.627 -4.683 -8.860 1.00 0.00 C ATOM 1222 C LEU A 81 1.954 -6.016 -8.515 1.00 0.00 C ATOM 1223 O LEU A 81 0.945 -6.385 -9.123 1.00 0.00 O ATOM 1224 CB LEU A 81 1.586 -3.550 -8.977 1.00 0.00 C ATOM 1225 CG LEU A 81 1.124 -2.894 -7.659 1.00 0.00 C ATOM 1226 CD1 LEU A 81 0.210 -1.705 -7.942 1.00 0.00 C ATOM 1227 CD2 LEU A 81 0.418 -3.899 -6.755 1.00 0.00 C ATOM 0 H LEU A 81 2.853 -4.399 -10.920 1.00 0.00 H new ATOM 0 HA LEU A 81 3.322 -4.444 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.001 -2.772 -9.617 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.707 -3.946 -9.486 1.00 0.00 H new ATOM 0 HG LEU A 81 2.013 -2.538 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.105 -1.256 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.748 -0.965 -8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.667 -2.043 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.106 -3.404 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.457 -4.298 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.100 -4.714 -6.515 1.00 0.00 H new ATOM 1239 N VAL A 82 2.532 -6.747 -7.558 1.00 0.00 N ATOM 1240 CA VAL A 82 1.957 -8.012 -7.091 1.00 0.00 C ATOM 1241 C VAL A 82 1.820 -8.013 -5.565 1.00 0.00 C ATOM 1242 O VAL A 82 2.786 -8.289 -4.851 1.00 0.00 O ATOM 1243 CB VAL A 82 2.819 -9.230 -7.526 1.00 0.00 C ATOM 1244 CG1 VAL A 82 2.168 -10.544 -7.088 1.00 0.00 C ATOM 1245 CG2 VAL A 82 3.054 -9.217 -9.038 1.00 0.00 C ATOM 0 H VAL A 82 3.400 -6.484 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 82 0.972 -8.102 -7.548 1.00 0.00 H new ATOM 0 HB VAL A 82 3.787 -9.152 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.790 -11.381 -7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.067 -10.556 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.182 -10.632 -7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.660 -10.079 -9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.096 -9.262 -9.556 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.574 -8.301 -9.317 1.00 0.00 H new ATOM 1255 N TYR A 83 0.622 -7.684 -5.074 1.00 0.00 N ATOM 1256 CA TYR A 83 0.348 -7.682 -3.632 1.00 0.00 C ATOM 1257 C TYR A 83 -0.200 -9.033 -3.175 1.00 0.00 C ATOM 1258 O TYR A 83 -0.516 -9.910 -3.990 1.00 0.00 O ATOM 1259 CB TYR A 83 -0.648 -6.567 -3.249 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.011 -5.231 -2.883 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.887 -4.600 -3.732 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.335 -4.594 -1.691 1.00 0.00 C ATOM 1263 CE1 TYR A 83 1.444 -3.375 -3.403 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.216 -3.375 -1.354 1.00 0.00 C ATOM 1265 CZ TYR A 83 1.104 -2.767 -2.212 1.00 0.00 C ATOM 1266 OH TYR A 83 1.654 -1.549 -1.881 1.00 0.00 O ATOM 0 H TYR A 83 -0.174 -7.416 -5.652 1.00 0.00 H new ATOM 0 HA TYR A 83 1.296 -7.493 -3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.332 -6.410 -4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.247 -6.910 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.156 -5.072 -4.665 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.033 -5.063 -1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.141 -2.898 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.048 -2.900 -0.421 1.00 0.00 H new ATOM 0 HH TYR A 83 2.425 -1.687 -1.292 1.00 0.00 H new ATOM 1276 N THR A 84 -0.328 -9.172 -1.864 1.00 0.00 N ATOM 1277 CA THR A 84 -0.823 -10.382 -1.232 1.00 0.00 C ATOM 1278 C THR A 84 -1.435 -10.030 0.125 1.00 0.00 C ATOM 1279 O THR A 84 -0.724 -9.623 1.049 1.00 0.00 O ATOM 1280 CB THR A 84 0.310 -11.419 -1.030 1.00 0.00 C ATOM 1281 OG1 THR A 84 0.961 -11.696 -2.277 1.00 0.00 O ATOM 1282 CG2 THR A 84 -0.230 -12.719 -0.437 1.00 0.00 C ATOM 0 H THR A 84 -0.087 -8.435 -1.201 1.00 0.00 H new ATOM 0 HA THR A 84 -1.576 -10.824 -1.885 1.00 0.00 H new ATOM 0 HB THR A 84 1.030 -10.991 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.676 -12.351 -2.134 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.588 -13.427 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.690 -12.514 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.974 -13.144 -1.110 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.753 -10.148 0.230 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.441 -9.895 1.492 1.00 0.00 C ATOM 1292 C LYS A 85 -3.258 -11.088 2.425 1.00 0.00 C ATOM 1293 O LYS A 85 -3.828 -12.159 2.199 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.934 -9.623 1.249 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.722 -9.293 2.519 1.00 0.00 C ATOM 1296 CD LYS A 85 -7.177 -8.908 2.225 1.00 0.00 C ATOM 1297 CE LYS A 85 -8.056 -10.106 1.866 1.00 0.00 C ATOM 1298 NZ LYS A 85 -7.594 -10.818 0.645 1.00 0.00 N ATOM 0 H LYS A 85 -3.366 -10.416 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.009 -9.010 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.032 -8.795 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.379 -10.497 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.705 -10.154 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.232 -8.473 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.597 -8.406 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.198 -8.191 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.070 -10.803 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.081 -9.766 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.410 -11.245 0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.127 -10.144 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.921 -11.565 0.912 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.431 -10.910 3.449 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.158 -11.971 4.414 1.00 0.00 C ATOM 1314 C ALA A 86 -3.222 -11.975 5.504 1.00 0.00 C ATOM 1315 O ALA A 86 -3.944 -12.958 5.689 1.00 0.00 O ATOM 1316 CB ALA A 86 -0.769 -11.795 5.022 1.00 0.00 C ATOM 0 H ALA A 86 -1.936 -10.038 3.633 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.186 -12.930 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.582 -12.594 5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.019 -11.833 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.713 -10.832 5.529 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.324 -10.853 6.203 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.279 -10.693 7.295 1.00 0.00 C ATOM 1324 C ASN A 87 -5.057 -9.396 7.100 1.00 0.00 C ATOM 1325 O ASN A 87 -4.585 -8.496 6.405 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.549 -10.675 8.651 1.00 0.00 C ATOM 1327 CG ASN A 87 -2.881 -11.999 8.995 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.351 -13.069 8.604 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -1.788 -11.936 9.740 1.00 0.00 N ATOM 0 H ASN A 87 -2.749 -10.028 6.031 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.971 -11.535 7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.795 -9.888 8.639 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.262 -10.421 9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.304 -12.793 10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.430 -11.031 10.044 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.250 -9.269 7.716 1.00 0.00 N ATOM 1337 CA PRO A 88 -7.083 -8.055 7.595 1.00 0.00 C ATOM 1338 C PRO A 88 -6.349 -6.774 8.015 1.00 0.00 C ATOM 1339 O PRO A 88 -6.821 -5.667 7.747 1.00 0.00 O ATOM 1340 CB PRO A 88 -8.264 -8.338 8.537 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.328 -9.824 8.628 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.900 -10.293 8.560 1.00 0.00 C ATOM 0 HA PRO A 88 -7.375 -7.872 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.106 -7.888 9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.193 -7.925 8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.801 -10.140 9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.918 -10.242 7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.446 -10.347 9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.823 -11.287 8.119 1.00 0.00 H new ATOM 1350 N THR A 89 -5.203 -6.921 8.684 1.00 0.00 N ATOM 1351 CA THR A 89 -4.420 -5.768 9.121 1.00 0.00 C ATOM 1352 C THR A 89 -2.976 -5.850 8.612 1.00 0.00 C ATOM 1353 O THR A 89 -2.145 -5.007 8.953 1.00 0.00 O ATOM 1354 CB THR A 89 -4.424 -5.642 10.666 1.00 0.00 C ATOM 1355 OG1 THR A 89 -3.876 -4.378 11.072 1.00 0.00 O ATOM 1356 CG2 THR A 89 -3.630 -6.773 11.315 1.00 0.00 C ATOM 0 H THR A 89 -4.800 -7.824 8.933 1.00 0.00 H new ATOM 0 HA THR A 89 -4.889 -4.881 8.695 1.00 0.00 H new ATOM 0 HB THR A 89 -5.460 -5.708 10.997 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.119 -4.149 10.493 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.651 -6.657 12.399 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.073 -7.731 11.044 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.598 -6.739 10.967 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.683 -6.849 7.779 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.335 -7.029 7.239 1.00 0.00 C ATOM 1366 C PHE A 90 -1.412 -7.329 5.741 1.00 0.00 C ATOM 1367 O PHE A 90 -1.917 -8.381 5.328 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.586 -8.158 7.975 1.00 0.00 C ATOM 1369 CG PHE A 90 0.899 -8.200 7.670 1.00 0.00 C ATOM 1370 CD1 PHE A 90 1.362 -8.684 6.452 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.831 -7.741 8.596 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.712 -8.707 6.168 1.00 0.00 C ATOM 1373 CE2 PHE A 90 3.182 -7.768 8.313 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.621 -8.248 7.098 1.00 0.00 C ATOM 0 H PHE A 90 -3.359 -7.545 7.464 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.778 -6.105 7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.725 -8.035 9.049 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.031 -9.115 7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.656 -9.046 5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.493 -7.359 9.548 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.057 -9.085 5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.894 -7.413 9.043 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.677 -8.265 6.874 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.896 -6.407 4.942 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.946 -6.505 3.486 1.00 0.00 C ATOM 1386 C HIS A 91 0.459 -6.260 2.938 1.00 0.00 C ATOM 1387 O HIS A 91 1.106 -5.285 3.317 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.933 -5.459 2.940 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.575 -5.801 1.625 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.893 -5.525 1.340 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -2.063 -6.361 0.498 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -4.139 -5.905 0.087 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -3.062 -6.423 -0.475 1.00 0.00 N ATOM 0 H HIS A 91 -0.429 -5.567 5.283 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.286 -7.493 3.177 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.719 -5.306 3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.407 -4.510 2.832 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.566 -5.102 1.979 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.046 -6.703 0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.095 -5.803 -0.405 1.00 0.00 H new ATOM 1401 N HIS A 92 0.937 -7.140 2.069 1.00 0.00 N ATOM 1402 CA HIS A 92 2.311 -7.051 1.576 1.00 0.00 C ATOM 1403 C HIS A 92 2.377 -7.345 0.087 1.00 0.00 C ATOM 1404 O HIS A 92 1.374 -7.699 -0.523 1.00 0.00 O ATOM 1405 CB HIS A 92 3.213 -8.029 2.345 1.00 0.00 C ATOM 1406 CG HIS A 92 2.833 -9.471 2.174 1.00 0.00 C ATOM 1407 ND1 HIS A 92 1.918 -10.221 2.841 1.00 0.00 N flip ATOM 1408 CD2 HIS A 92 3.417 -10.314 1.256 1.00 0.00 C flip ATOM 1409 CE1 HIS A 92 1.940 -11.518 2.339 1.00 0.00 C flip ATOM 1410 NE2 HIS A 92 2.854 -11.521 1.390 1.00 0.00 N flip ATOM 0 H HIS A 92 0.400 -7.920 1.691 1.00 0.00 H new ATOM 0 HA HIS A 92 2.664 -6.033 1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.243 -7.894 2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.182 -7.779 3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.192 -10.049 0.552 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.333 -12.351 2.661 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.101 -12.337 0.830 1.00 0.00 H new ATOM 1418 N TRP A 93 3.564 -7.192 -0.493 1.00 0.00 N ATOM 1419 CA TRP A 93 3.786 -7.513 -1.897 1.00 0.00 C ATOM 1420 C TRP A 93 5.171 -8.126 -2.073 1.00 0.00 C ATOM 1421 O TRP A 93 5.965 -8.163 -1.128 1.00 0.00 O ATOM 1422 CB TRP A 93 3.613 -6.263 -2.779 1.00 0.00 C ATOM 1423 CG TRP A 93 4.651 -5.191 -2.582 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.770 -4.988 -3.339 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.650 -4.161 -1.586 1.00 0.00 C ATOM 1426 NE1 TRP A 93 6.462 -3.897 -2.874 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.796 -3.375 -1.798 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.791 -3.828 -0.534 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 6.106 -2.277 -0.998 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 4.099 -2.739 0.259 1.00 0.00 C ATOM 1431 CH2 TRP A 93 5.248 -1.974 0.022 1.00 0.00 C ATOM 0 H TRP A 93 4.391 -6.845 -0.007 1.00 0.00 H new ATOM 0 HA TRP A 93 3.041 -8.242 -2.215 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.626 -6.571 -3.824 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.630 -5.834 -2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 93 6.067 -5.597 -4.180 1.00 0.00 H new ATOM 0 HE1 TRP A 93 7.331 -3.535 -3.266 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.902 -4.412 -0.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.992 -1.687 -1.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.443 -2.473 1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.460 -1.127 0.658 1.00 0.00 H new ATOM 1442 N LYS A 94 5.457 -8.627 -3.267 1.00 0.00 N ATOM 1443 CA LYS A 94 6.746 -9.256 -3.535 1.00 0.00 C ATOM 1444 C LYS A 94 7.287 -8.824 -4.889 1.00 0.00 C ATOM 1445 O LYS A 94 6.526 -8.517 -5.809 1.00 0.00 O ATOM 1446 CB LYS A 94 6.632 -10.790 -3.494 1.00 0.00 C ATOM 1447 CG LYS A 94 5.852 -11.384 -4.666 1.00 0.00 C ATOM 1448 CD LYS A 94 5.864 -12.911 -4.657 1.00 0.00 C ATOM 1449 CE LYS A 94 7.278 -13.469 -4.792 1.00 0.00 C ATOM 1450 NZ LYS A 94 7.283 -14.951 -4.915 1.00 0.00 N ATOM 0 H LYS A 94 4.819 -8.611 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 94 7.436 -8.933 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.634 -11.219 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.149 -11.084 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.821 -11.031 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.279 -11.025 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.418 -13.272 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.247 -13.284 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.758 -13.031 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.868 -13.175 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.263 -15.289 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.848 -15.371 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.742 -15.231 -5.758 1.00 0.00 H new ATOM 1464 N VAL A 95 8.605 -8.798 -4.990 1.00 0.00 N ATOM 1465 CA VAL A 95 9.293 -8.546 -6.245 1.00 0.00 C ATOM 1466 C VAL A 95 10.220 -9.730 -6.530 1.00 0.00 C ATOM 1467 O VAL A 95 9.828 -10.872 -6.293 1.00 0.00 O ATOM 1468 CB VAL A 95 10.076 -7.204 -6.190 1.00 0.00 C ATOM 1469 CG1 VAL A 95 9.105 -6.025 -6.087 1.00 0.00 C ATOM 1470 CG2 VAL A 95 11.068 -7.197 -5.023 1.00 0.00 C ATOM 0 H VAL A 95 9.231 -8.952 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 95 8.570 -8.451 -7.055 1.00 0.00 H new ATOM 0 HB VAL A 95 10.646 -7.101 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.668 -5.092 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.448 -6.018 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.507 -6.124 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.603 -6.248 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.527 -7.326 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.780 -8.013 -5.146 1.00 0.00 H new ATOM 1480 N ASP A 96 11.425 -9.475 -7.041 1.00 0.00 N ATOM 1481 CA ASP A 96 12.403 -10.539 -7.275 1.00 0.00 C ATOM 1482 C ASP A 96 12.743 -11.267 -5.969 1.00 0.00 C ATOM 1483 O ASP A 96 13.725 -10.936 -5.299 1.00 0.00 O ATOM 1484 CB ASP A 96 13.675 -9.971 -7.917 1.00 0.00 C ATOM 1485 CG ASP A 96 13.403 -9.341 -9.271 1.00 0.00 C ATOM 1486 OD1 ASP A 96 13.004 -8.156 -9.315 1.00 0.00 O ATOM 1487 OD2 ASP A 96 13.574 -10.027 -10.300 1.00 0.00 O ATOM 0 H ASP A 96 11.747 -8.543 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 96 11.959 -11.260 -7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.113 -9.226 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.410 -10.768 -8.030 1.00 0.00 H new ATOM 1492 N ASN A 97 11.893 -12.236 -5.618 1.00 0.00 N ATOM 1493 CA ASN A 97 12.031 -13.058 -4.409 1.00 0.00 C ATOM 1494 C ASN A 97 11.788 -12.249 -3.129 1.00 0.00 C ATOM 1495 O ASN A 97 10.838 -12.526 -2.389 1.00 0.00 O ATOM 1496 CB ASN A 97 13.401 -13.751 -4.343 1.00 0.00 C ATOM 1497 CG ASN A 97 13.535 -14.672 -3.134 1.00 0.00 C ATOM 1498 OD1 ASN A 97 12.557 -15.269 -2.678 1.00 0.00 O ATOM 1499 ND2 ASN A 97 14.744 -14.789 -2.606 1.00 0.00 N ATOM 0 H ASN A 97 11.074 -12.477 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 97 11.260 -13.826 -4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.556 -14.329 -5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.185 -12.995 -4.308 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.890 -15.389 -1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.529 -14.279 -3.011 1.00 0.00 H new ATOM 1506 N ARG A 98 12.643 -11.253 -2.868 1.00 0.00 N ATOM 1507 CA ARG A 98 12.554 -10.462 -1.642 1.00 0.00 C ATOM 1508 C ARG A 98 11.163 -9.858 -1.489 1.00 0.00 C ATOM 1509 O ARG A 98 10.582 -9.337 -2.446 1.00 0.00 O ATOM 1510 CB ARG A 98 13.640 -9.376 -1.604 1.00 0.00 C ATOM 1511 CG ARG A 98 15.051 -9.952 -1.514 1.00 0.00 C ATOM 1512 CD ARG A 98 16.099 -8.892 -1.183 1.00 0.00 C ATOM 1513 NE ARG A 98 17.405 -9.502 -0.910 1.00 0.00 N ATOM 1514 CZ ARG A 98 17.989 -9.535 0.292 1.00 0.00 C ATOM 1515 NH1 ARG A 98 17.431 -8.917 1.329 1.00 0.00 N ATOM 1516 NH2 ARG A 98 19.139 -10.176 0.452 1.00 0.00 N ATOM 0 H ARG A 98 13.403 -10.978 -3.491 1.00 0.00 H new ATOM 0 HA ARG A 98 12.726 -11.128 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 98 13.561 -8.759 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.464 -8.723 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 98 15.074 -10.730 -0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 98 15.307 -10.427 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 98 16.188 -8.193 -2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.776 -8.316 -0.316 1.00 0.00 H new ATOM 0 HE ARG A 98 17.902 -9.930 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.552 -8.414 1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 98 17.882 -8.946 2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.577 -10.643 -0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.585 -10.202 1.369 1.00 0.00 H new ATOM 1530 N LYS A 99 10.637 -9.937 -0.273 1.00 0.00 N ATOM 1531 CA LYS A 99 9.243 -9.625 -0.011 1.00 0.00 C ATOM 1532 C LYS A 99 9.132 -8.600 1.115 1.00 0.00 C ATOM 1533 O LYS A 99 9.786 -8.730 2.149 1.00 0.00 O ATOM 1534 CB LYS A 99 8.513 -10.926 0.356 1.00 0.00 C ATOM 1535 CG LYS A 99 6.993 -10.830 0.349 1.00 0.00 C ATOM 1536 CD LYS A 99 6.327 -12.171 0.675 1.00 0.00 C ATOM 1537 CE LYS A 99 6.539 -13.223 -0.418 1.00 0.00 C ATOM 1538 NZ LYS A 99 7.944 -13.722 -0.490 1.00 0.00 N ATOM 0 H LYS A 99 11.164 -10.218 0.554 1.00 0.00 H new ATOM 0 HA LYS A 99 8.784 -9.190 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.817 -11.706 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.838 -11.241 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.675 -10.082 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.657 -10.488 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.724 -12.548 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.258 -12.014 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.870 -14.065 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.262 -12.797 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.940 -14.750 -0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.439 -13.255 -1.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.434 -13.509 0.402 1.00 0.00 H new ATOM 1552 N PHE A 100 8.317 -7.573 0.899 1.00 0.00 N ATOM 1553 CA PHE A 100 8.125 -6.507 1.879 1.00 0.00 C ATOM 1554 C PHE A 100 6.696 -5.986 1.796 1.00 0.00 C ATOM 1555 O PHE A 100 6.024 -6.171 0.780 1.00 0.00 O ATOM 1556 CB PHE A 100 9.158 -5.372 1.680 1.00 0.00 C ATOM 1557 CG PHE A 100 9.559 -5.123 0.239 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.498 -5.941 -0.381 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.018 -4.069 -0.489 1.00 0.00 C ATOM 1560 CE1 PHE A 100 10.880 -5.720 -1.689 1.00 0.00 C ATOM 1561 CE2 PHE A 100 9.400 -3.847 -1.800 1.00 0.00 C ATOM 1562 CZ PHE A 100 10.330 -4.672 -2.399 1.00 0.00 C ATOM 0 H PHE A 100 7.773 -7.455 0.044 1.00 0.00 H new ATOM 0 HA PHE A 100 8.288 -6.911 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.748 -4.450 2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 100 10.053 -5.609 2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.935 -6.761 0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.292 -3.417 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 100 11.608 -6.366 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.970 -3.027 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 100 10.627 -4.498 -3.423 1.00 0.00 H new ATOM 1572 N GLY A 101 6.221 -5.360 2.865 1.00 0.00 N ATOM 1573 CA GLY A 101 4.835 -4.938 2.912 1.00 0.00 C ATOM 1574 C GLY A 101 4.553 -3.930 4.001 1.00 0.00 C ATOM 1575 O GLY A 101 5.445 -3.193 4.423 1.00 0.00 O ATOM 0 H GLY A 101 6.768 -5.138 3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.561 -4.508 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.201 -5.812 3.063 1.00 0.00 H new ATOM 1579 N LEU A 102 3.312 -3.910 4.469 1.00 0.00 N ATOM 1580 CA LEU A 102 2.864 -2.920 5.434 1.00 0.00 C ATOM 1581 C LEU A 102 1.864 -3.526 6.414 1.00 0.00 C ATOM 1582 O LEU A 102 1.364 -4.636 6.210 1.00 0.00 O ATOM 1583 CB LEU A 102 2.246 -1.725 4.687 1.00 0.00 C ATOM 1584 CG LEU A 102 1.111 -2.077 3.697 1.00 0.00 C ATOM 1585 CD1 LEU A 102 -0.242 -2.179 4.399 1.00 0.00 C ATOM 1586 CD2 LEU A 102 1.052 -1.070 2.554 1.00 0.00 C ATOM 0 H LEU A 102 2.592 -4.577 4.191 1.00 0.00 H new ATOM 0 HA LEU A 102 3.720 -2.575 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.858 -1.020 5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.037 -1.212 4.139 1.00 0.00 H new ATOM 0 HG LEU A 102 1.338 -3.058 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.013 -2.428 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.199 -2.957 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.481 -1.225 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.246 -1.340 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.869 -0.074 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.000 -1.075 2.015 1.00 0.00 H new ATOM 1598 N THR A 103 1.582 -2.783 7.472 1.00 0.00 N ATOM 1599 CA THR A 103 0.622 -3.189 8.482 1.00 0.00 C ATOM 1600 C THR A 103 -0.383 -2.063 8.713 1.00 0.00 C ATOM 1601 O THR A 103 0.003 -0.945 9.076 1.00 0.00 O ATOM 1602 CB THR A 103 1.334 -3.531 9.812 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.444 -4.402 9.553 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.383 -4.203 10.799 1.00 0.00 C ATOM 0 H THR A 103 2.015 -1.878 7.654 1.00 0.00 H new ATOM 0 HA THR A 103 0.103 -4.080 8.129 1.00 0.00 H new ATOM 0 HB THR A 103 1.683 -2.599 10.256 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.112 -5.293 9.317 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.917 -4.429 11.722 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.449 -3.533 11.016 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.001 -5.127 10.365 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.660 -2.351 8.469 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.729 -1.378 8.688 1.00 0.00 C ATOM 1614 C PHE A 104 -2.862 -1.072 10.176 1.00 0.00 C ATOM 1615 O PHE A 104 -2.411 -1.857 11.017 1.00 0.00 O ATOM 1616 CB PHE A 104 -4.061 -1.907 8.140 1.00 0.00 C ATOM 1617 CG PHE A 104 -4.055 -2.148 6.650 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.778 -1.111 5.768 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -4.332 -3.405 6.130 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.778 -1.325 4.403 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -4.334 -3.623 4.765 1.00 0.00 C ATOM 1622 CZ PHE A 104 -4.055 -2.582 3.901 1.00 0.00 C ATOM 0 H PHE A 104 -1.981 -3.254 8.118 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.475 -0.461 8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.307 -2.839 8.648 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.850 -1.195 8.380 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.560 -0.126 6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.549 -4.223 6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.561 -0.510 3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.553 -4.606 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.053 -2.751 2.834 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.479 0.057 10.503 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.621 0.472 11.899 1.00 0.00 C ATOM 1634 C GLN A 105 -5.066 0.837 12.231 1.00 0.00 C ATOM 1635 O GLN A 105 -5.490 0.721 13.386 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.678 1.643 12.211 1.00 0.00 C ATOM 1637 CG GLN A 105 -2.927 2.896 11.375 1.00 0.00 C ATOM 1638 CD GLN A 105 -1.947 4.015 11.691 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -1.451 4.127 12.809 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -1.665 4.854 10.708 1.00 0.00 N ATOM 0 H GLN A 105 -3.888 0.701 9.826 1.00 0.00 H new ATOM 0 HA GLN A 105 -3.344 -0.374 12.528 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.775 1.900 13.266 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.650 1.316 12.056 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.855 2.643 10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.944 3.248 11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.096 4.730 9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.016 5.625 10.866 1.00 0.00 H new ATOM 1649 N SER A 106 -5.823 1.270 11.228 1.00 0.00 N ATOM 1650 CA SER A 106 -7.221 1.637 11.420 1.00 0.00 C ATOM 1651 C SER A 106 -8.082 1.049 10.301 1.00 0.00 C ATOM 1652 O SER A 106 -7.600 0.847 9.184 1.00 0.00 O ATOM 1653 CB SER A 106 -7.362 3.166 11.458 1.00 0.00 C ATOM 1654 OG SER A 106 -6.533 3.731 12.464 1.00 0.00 O ATOM 0 H SER A 106 -5.489 1.376 10.270 1.00 0.00 H new ATOM 0 HA SER A 106 -7.566 1.230 12.371 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.096 3.583 10.487 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.402 3.434 11.646 1.00 0.00 H new ATOM 0 HG SER A 106 -6.640 4.705 12.467 1.00 0.00 H new ATOM 1660 N PRO A 107 -9.363 0.742 10.588 1.00 0.00 N ATOM 1661 CA PRO A 107 -10.301 0.230 9.580 1.00 0.00 C ATOM 1662 C PRO A 107 -10.306 1.082 8.306 1.00 0.00 C ATOM 1663 O PRO A 107 -10.450 0.557 7.203 1.00 0.00 O ATOM 1664 CB PRO A 107 -11.657 0.304 10.292 1.00 0.00 C ATOM 1665 CG PRO A 107 -11.324 0.161 11.738 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.995 0.847 11.923 1.00 0.00 C ATOM 0 HA PRO A 107 -10.039 -0.773 9.244 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.160 1.250 10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.325 -0.489 9.958 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -12.091 0.619 12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.265 -0.889 12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.119 1.886 12.228 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.395 0.359 12.691 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.134 2.396 8.480 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.124 3.342 7.362 1.00 0.00 C ATOM 1676 C ALA A 108 -9.042 2.993 6.340 1.00 0.00 C ATOM 1677 O ALA A 108 -9.346 2.668 5.188 1.00 0.00 O ATOM 1678 CB ALA A 108 -9.932 4.765 7.874 1.00 0.00 C ATOM 0 H ALA A 108 -9.999 2.831 9.393 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.089 3.273 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.927 5.457 7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -10.748 5.022 8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.984 4.835 8.407 1.00 0.00 H new ATOM 1684 N ASP A 109 -7.778 3.055 6.766 1.00 0.00 N ATOM 1685 CA ASP A 109 -6.654 2.764 5.873 1.00 0.00 C ATOM 1686 C ASP A 109 -6.716 1.326 5.380 1.00 0.00 C ATOM 1687 O ASP A 109 -6.357 1.040 4.236 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.301 3.050 6.556 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.181 2.455 7.955 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.801 1.276 8.091 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -5.450 3.187 8.931 1.00 0.00 O ATOM 0 H ASP A 109 -7.508 3.303 7.718 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.736 3.427 5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.499 2.654 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.155 4.129 6.616 1.00 0.00 H new ATOM 1696 N ALA A 110 -7.195 0.430 6.240 1.00 0.00 N ATOM 1697 CA ALA A 110 -7.367 -0.973 5.878 1.00 0.00 C ATOM 1698 C ALA A 110 -8.237 -1.117 4.628 1.00 0.00 C ATOM 1699 O ALA A 110 -7.753 -1.514 3.568 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.965 -1.754 7.046 1.00 0.00 C ATOM 0 H ALA A 110 -7.472 0.653 7.196 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.385 -1.388 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.087 -2.799 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.299 -1.689 7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.936 -1.333 7.306 1.00 0.00 H new ATOM 1706 N ARG A 111 -9.513 -0.753 4.752 1.00 0.00 N ATOM 1707 CA ARG A 111 -10.475 -0.902 3.658 1.00 0.00 C ATOM 1708 C ARG A 111 -10.038 -0.110 2.424 1.00 0.00 C ATOM 1709 O ARG A 111 -10.027 -0.636 1.305 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.880 -0.450 4.106 1.00 0.00 C ATOM 1711 CG ARG A 111 -11.929 0.988 4.626 1.00 0.00 C ATOM 1712 CD ARG A 111 -13.324 1.395 5.092 1.00 0.00 C ATOM 1713 NE ARG A 111 -13.302 2.645 5.865 1.00 0.00 N ATOM 1714 CZ ARG A 111 -13.317 3.869 5.332 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -13.379 4.031 4.018 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -13.279 4.933 6.121 1.00 0.00 N ATOM 0 H ARG A 111 -9.907 -0.351 5.603 1.00 0.00 H new ATOM 0 HA ARG A 111 -10.512 -1.958 3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -12.568 -0.546 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -12.236 -1.121 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -11.228 1.096 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -11.600 1.667 3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.975 1.515 4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -13.749 0.598 5.702 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.273 2.572 6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -13.416 3.217 3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -13.390 4.970 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.238 4.816 7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -13.290 5.869 5.716 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.649 1.148 2.646 1.00 0.00 N ATOM 1731 CA ALA A 112 -9.349 2.072 1.558 1.00 0.00 C ATOM 1732 C ALA A 112 -8.163 1.597 0.724 1.00 0.00 C ATOM 1733 O ALA A 112 -8.242 1.534 -0.507 1.00 0.00 O ATOM 1734 CB ALA A 112 -9.087 3.469 2.113 1.00 0.00 C ATOM 0 H ALA A 112 -9.535 1.549 3.577 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.217 2.106 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.864 4.151 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.970 3.820 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.239 3.436 2.797 1.00 0.00 H new ATOM 1740 N PHE A 113 -7.069 1.252 1.397 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.845 0.873 0.702 1.00 0.00 C ATOM 1742 C PHE A 113 -5.963 -0.536 0.125 1.00 0.00 C ATOM 1743 O PHE A 113 -5.575 -0.771 -1.017 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.629 0.974 1.632 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.315 0.792 0.912 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.771 1.831 0.169 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.635 -0.417 0.962 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.576 1.668 -0.506 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.441 -0.582 0.291 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.910 0.460 -0.445 1.00 0.00 C ATOM 0 H PHE A 113 -7.006 1.227 2.415 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.700 1.571 -0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.635 1.947 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.715 0.221 2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.288 2.778 0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.045 -1.237 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.164 2.484 -1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.920 -1.527 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.024 0.330 -0.971 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.512 -1.462 0.912 1.00 0.00 N ATOM 1761 CA ASP A 114 -6.688 -2.853 0.471 1.00 0.00 C ATOM 1762 C ASP A 114 -7.483 -2.890 -0.827 1.00 0.00 C ATOM 1763 O ASP A 114 -7.007 -3.370 -1.866 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.433 -3.660 1.537 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.398 -5.156 1.289 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -8.227 -5.650 0.491 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -6.551 -5.837 1.894 1.00 0.00 O ATOM 0 H ASP A 114 -6.844 -1.277 1.859 1.00 0.00 H new ATOM 0 HA ASP A 114 -5.703 -3.291 0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -6.996 -3.450 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.471 -3.329 1.574 1.00 0.00 H new ATOM 1772 N ARG A 115 -8.699 -2.357 -0.754 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.564 -2.256 -1.924 1.00 0.00 C ATOM 1774 C ARG A 115 -8.884 -1.422 -3.002 1.00 0.00 C ATOM 1775 O ARG A 115 -8.996 -1.714 -4.190 1.00 0.00 O ATOM 1776 CB ARG A 115 -10.915 -1.633 -1.554 1.00 0.00 C ATOM 1777 CG ARG A 115 -11.829 -1.409 -2.756 1.00 0.00 C ATOM 1778 CD ARG A 115 -13.149 -0.761 -2.362 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.960 -1.633 -1.513 1.00 0.00 N ATOM 1780 CZ ARG A 115 -15.294 -1.604 -1.470 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -15.971 -0.775 -2.258 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -15.948 -2.421 -0.654 1.00 0.00 N ATOM 0 H ARG A 115 -9.108 -1.988 0.105 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.744 -3.261 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.421 -2.280 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.743 -0.679 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.320 -0.778 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -12.026 -2.364 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -12.951 0.173 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -13.710 -0.508 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.477 -2.305 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -15.471 -0.158 -2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -16.990 -0.756 -2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.431 -3.070 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -16.967 -2.400 -0.620 1.00 0.00 H new ATOM 1796 N GLY A 116 -8.170 -0.386 -2.570 1.00 0.00 N ATOM 1797 CA GLY A 116 -7.444 0.463 -3.494 1.00 0.00 C ATOM 1798 C GLY A 116 -6.435 -0.313 -4.320 1.00 0.00 C ATOM 1799 O GLY A 116 -6.283 -0.062 -5.514 1.00 0.00 O ATOM 0 H GLY A 116 -8.082 -0.120 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.150 0.959 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.929 1.245 -2.937 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.763 -1.268 -3.684 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.759 -2.087 -4.355 1.00 0.00 C ATOM 1805 C VAL A 117 -5.415 -3.058 -5.328 1.00 0.00 C ATOM 1806 O VAL A 117 -5.011 -3.153 -6.486 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.897 -2.884 -3.345 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -2.970 -3.858 -4.071 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -3.094 -1.935 -2.459 1.00 0.00 C ATOM 0 H VAL A 117 -5.897 -1.495 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.109 -1.404 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.566 -3.464 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.375 -4.406 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -3.565 -4.560 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.308 -3.303 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.495 -2.513 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.437 -1.326 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.776 -1.288 -1.908 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.425 -3.780 -4.852 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.140 -4.738 -5.695 1.00 0.00 C ATOM 1821 C ARG A 118 -7.772 -4.036 -6.899 1.00 0.00 C ATOM 1822 O ARG A 118 -7.667 -4.508 -8.034 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.198 -5.495 -4.878 1.00 0.00 C ATOM 1824 CG ARG A 118 -7.608 -6.583 -3.982 1.00 0.00 C ATOM 1825 CD ARG A 118 -8.677 -7.294 -3.159 1.00 0.00 C ATOM 1826 NE ARG A 118 -9.129 -6.486 -2.025 1.00 0.00 N ATOM 1827 CZ ARG A 118 -10.382 -6.077 -1.829 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -11.326 -6.324 -2.731 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -10.678 -5.408 -0.725 1.00 0.00 N ATOM 0 H ARG A 118 -6.767 -3.722 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.421 -5.466 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.747 -4.784 -4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.918 -5.947 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.081 -7.312 -4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.871 -6.140 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.528 -7.529 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.281 -8.242 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.431 -6.215 -1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -11.095 -6.832 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -12.282 -6.006 -2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.951 -5.212 -0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -11.633 -5.089 -0.563 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.406 -2.896 -6.645 1.00 0.00 N ATOM 1844 CA LYS A 119 -9.010 -2.093 -7.705 1.00 0.00 C ATOM 1845 C LYS A 119 -7.929 -1.532 -8.633 1.00 0.00 C ATOM 1846 O LYS A 119 -8.125 -1.438 -9.847 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.860 -0.964 -7.096 1.00 0.00 C ATOM 1848 CG LYS A 119 -10.489 -0.020 -8.120 1.00 0.00 C ATOM 1849 CD LYS A 119 -11.271 -0.773 -9.197 1.00 0.00 C ATOM 1850 CE LYS A 119 -11.927 0.184 -10.185 1.00 0.00 C ATOM 1851 NZ LYS A 119 -12.364 -0.504 -11.424 1.00 0.00 N ATOM 0 H LYS A 119 -8.516 -2.505 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.665 -2.729 -8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -10.653 -1.408 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -9.235 -0.381 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.155 0.675 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.707 0.575 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.600 -1.446 -9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.035 -1.392 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.787 0.659 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -11.225 0.978 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.336 -0.216 -11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.730 -0.246 -12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.334 -1.533 -11.279 1.00 0.00 H new ATOM 1865 N ALA A 120 -6.780 -1.178 -8.059 1.00 0.00 N ATOM 1866 CA ALA A 120 -5.649 -0.702 -8.848 1.00 0.00 C ATOM 1867 C ALA A 120 -5.171 -1.794 -9.801 1.00 0.00 C ATOM 1868 O ALA A 120 -4.908 -1.535 -10.972 1.00 0.00 O ATOM 1869 CB ALA A 120 -4.509 -0.249 -7.942 1.00 0.00 C ATOM 0 H ALA A 120 -6.610 -1.212 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.978 0.155 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.677 0.102 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.855 0.561 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.180 -1.086 -7.326 1.00 0.00 H new ATOM 1875 N ILE A 121 -5.080 -3.020 -9.284 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.686 -4.174 -10.089 1.00 0.00 C ATOM 1877 C ILE A 121 -5.676 -4.387 -11.226 1.00 0.00 C ATOM 1878 O ILE A 121 -5.283 -4.650 -12.362 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.594 -5.465 -9.231 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.432 -5.365 -8.232 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.441 -6.709 -10.111 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -2.075 -5.236 -8.893 1.00 0.00 C ATOM 0 H ILE A 121 -5.275 -3.239 -8.307 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.698 -3.966 -10.499 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.526 -5.563 -8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.594 -4.504 -7.583 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.434 -6.249 -7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.379 -7.596 -9.480 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.302 -6.794 -10.773 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.532 -6.624 -10.707 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -1.302 -5.170 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.891 -6.109 -9.520 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -2.054 -4.336 -9.508 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.959 -4.259 -10.905 1.00 0.00 N ATOM 1895 CA GLU A 122 -8.020 -4.388 -11.895 1.00 0.00 C ATOM 1896 C GLU A 122 -7.798 -3.395 -13.039 1.00 0.00 C ATOM 1897 O GLU A 122 -7.651 -3.784 -14.199 1.00 0.00 O ATOM 1898 CB GLU A 122 -9.383 -4.145 -11.229 1.00 0.00 C ATOM 1899 CG GLU A 122 -10.576 -4.385 -12.146 1.00 0.00 C ATOM 1900 CD GLU A 122 -11.907 -4.100 -11.465 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -12.333 -4.904 -10.611 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -12.544 -3.074 -11.791 1.00 0.00 O ATOM 0 H GLU A 122 -7.290 -4.065 -9.960 1.00 0.00 H new ATOM 0 HA GLU A 122 -8.004 -5.397 -12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.471 -4.795 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.419 -3.118 -10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -10.482 -3.754 -13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.563 -5.419 -12.490 1.00 0.00 H new ATOM 1909 N ASP A 123 -7.722 -2.115 -12.690 1.00 0.00 N ATOM 1910 CA ASP A 123 -7.564 -1.049 -13.680 1.00 0.00 C ATOM 1911 C ASP A 123 -6.178 -1.080 -14.324 1.00 0.00 C ATOM 1912 O ASP A 123 -5.972 -0.499 -15.390 1.00 0.00 O ATOM 1913 CB ASP A 123 -7.818 0.328 -13.038 1.00 0.00 C ATOM 1914 CG ASP A 123 -9.269 0.542 -12.624 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -10.118 -0.340 -12.880 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -9.576 1.604 -12.044 1.00 0.00 O ATOM 0 H ASP A 123 -7.767 -1.787 -11.725 1.00 0.00 H new ATOM 0 HA ASP A 123 -8.303 -1.218 -14.463 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.178 0.436 -12.162 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.530 1.108 -13.742 1.00 0.00 H new ATOM 1921 N LEU A 124 -5.230 -1.746 -13.672 1.00 0.00 N ATOM 1922 CA LEU A 124 -3.878 -1.880 -14.210 1.00 0.00 C ATOM 1923 C LEU A 124 -3.869 -2.942 -15.312 1.00 0.00 C ATOM 1924 O LEU A 124 -3.306 -2.728 -16.389 1.00 0.00 O ATOM 1925 CB LEU A 124 -2.886 -2.250 -13.080 1.00 0.00 C ATOM 1926 CG LEU A 124 -1.381 -2.051 -13.384 1.00 0.00 C ATOM 1927 CD1 LEU A 124 -0.562 -2.101 -12.094 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.857 -3.096 -14.371 1.00 0.00 C ATOM 0 H LEU A 124 -5.372 -2.202 -12.771 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.563 -0.928 -14.638 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.137 -1.658 -12.200 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.045 -3.296 -12.817 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.272 -1.069 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.493 -1.959 -12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.894 -1.310 -11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.700 -3.069 -11.613 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.203 -2.921 -14.558 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.992 -4.093 -13.951 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.408 -3.020 -15.308 1.00 0.00 H new ATOM 1940 N ILE A 125 -4.516 -4.075 -15.042 1.00 0.00 N ATOM 1941 CA ILE A 125 -4.504 -5.208 -15.965 1.00 0.00 C ATOM 1942 C ILE A 125 -5.486 -4.996 -17.121 1.00 0.00 C ATOM 1943 O ILE A 125 -5.283 -5.521 -18.219 1.00 0.00 O ATOM 1944 CB ILE A 125 -4.825 -6.548 -15.242 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -4.609 -7.742 -16.194 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -6.253 -6.550 -14.695 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -4.855 -9.095 -15.554 1.00 0.00 C ATOM 0 H ILE A 125 -5.055 -4.232 -14.191 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.493 -5.270 -16.368 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.141 -6.648 -14.399 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.271 -7.632 -17.053 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.587 -7.711 -16.573 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.450 -7.498 -14.195 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.371 -5.733 -13.983 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.957 -6.420 -15.517 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -4.682 -9.882 -16.288 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.175 -9.228 -14.712 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.885 -9.149 -15.201 1.00 0.00 H new ATOM 1959 N GLU A 126 -6.550 -4.230 -16.881 1.00 0.00 N ATOM 1960 CA GLU A 126 -7.525 -3.939 -17.927 1.00 0.00 C ATOM 1961 C GLU A 126 -7.065 -2.736 -18.763 1.00 0.00 C ATOM 1962 O GLU A 126 -6.261 -2.937 -19.706 1.00 0.00 O ATOM 1963 CB GLU A 126 -8.921 -3.698 -17.326 1.00 0.00 C ATOM 1964 CG GLU A 126 -9.424 -4.859 -16.469 1.00 0.00 C ATOM 1965 CD GLU A 126 -10.891 -4.730 -16.081 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -11.305 -3.645 -15.620 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -11.644 -5.717 -16.244 1.00 0.00 O ATOM 1968 OXT GLU A 126 -7.484 -1.597 -18.469 1.00 0.00 O ATOM 0 H GLU A 126 -6.756 -3.803 -15.978 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.596 -4.805 -18.585 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -8.895 -2.793 -16.719 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -9.630 -3.520 -18.134 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -9.280 -5.792 -17.013 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.820 -4.922 -15.564 1.00 0.00 H new TER 1975 GLU A 126