USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 820 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 102 THR OG1 : rot -105:sc= 0.58! USER MOD Set 1.2: A 103 ASN : amide:sc= -3.5 K(o=-2.9,f=-0.98) USER MOD Set 2.1: A 39 LYS NZ :NH3+ -157:sc= 0.912 (180deg=-0.643) USER MOD Set 2.2: A 58 THR OG1 : rot 143:sc= 0.849 USER MOD Set 3.1: A 31 ASN : amide:sc= -6.26! C(o=-14!,f=-27!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -7.96! C(o=-14!,f=-24!) USER MOD Single : A 5 LYS NZ :NH3+ -142:sc= 0.696 (180deg=0.035) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.03) USER MOD Single : A 12 GLN : amide:sc= -3.97 K(o=-4,f=-2.9!) USER MOD Single : A 13 LYS NZ :NH3+ -150:sc= 0.468 (180deg=0.0258) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0271 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -2.51 K(o=-2.5,f=-1.5) USER MOD Single : A 19 THR OG1 : rot 100:sc= -0.501 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0161) USER MOD Single : A 26 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -91:sc= -0.595 USER MOD Single : A 42 GLN : amide:sc= -5.76! C(o=-5.8!,f=-8.8!) USER MOD Single : A 47 THR OG1 : rot 38:sc= 0.14 USER MOD Single : A 48 TYR OH : rot -6:sc= -3.38 USER MOD Single : A 49 THR OG1 : rot 128:sc= -0.396 USER MOD Single : A 52 ASN : amide:sc= -1.11 K(o=-1.1,f=-6.1!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -10.3! C(o=-10!,f=-4.9!) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -1.12 (180deg=-1.79) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 81:sc= -2.39! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -150:sc= 1.43 USER MOD Single : A 70 ASN : amide:sc= -10.9! C(o=-11!,f=-19!) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0167) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 23:sc= 0.386 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -103:sc= -0.0383 (180deg=-0.625) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 144:sc= 0.106 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.151) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.346 8.295 -8.738 1.00 0.00 N ATOM 11 CA ASP A 2 73.903 7.520 -9.894 1.00 0.00 C ATOM 12 C ASP A 2 74.317 6.063 -9.755 1.00 0.00 C ATOM 13 O ASP A 2 75.376 5.658 -10.233 1.00 0.00 O ATOM 14 CB ASP A 2 74.501 8.102 -11.174 1.00 0.00 C ATOM 15 CG ASP A 2 74.206 9.595 -11.258 1.00 0.00 C ATOM 16 OD1 ASP A 2 74.654 10.318 -10.383 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.534 9.995 -12.195 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.815 7.572 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.578 7.935 -11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.086 7.592 -12.043 1.00 0.00 H new ATOM 22 N VAL A 3 73.467 5.279 -9.104 1.00 0.00 N ATOM 23 CA VAL A 3 73.741 3.863 -8.910 1.00 0.00 C ATOM 24 C VAL A 3 74.143 3.215 -10.231 1.00 0.00 C ATOM 25 O VAL A 3 74.728 2.132 -10.249 1.00 0.00 O ATOM 26 CB VAL A 3 72.495 3.172 -8.353 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.298 3.467 -9.258 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.728 1.661 -8.296 1.00 0.00 C ATOM 0 H VAL A 3 72.585 5.599 -8.703 1.00 0.00 H new ATOM 0 HA VAL A 3 74.564 3.756 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 3 72.294 3.547 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.411 2.974 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.128 4.543 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.500 3.094 -10.262 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.839 1.171 -7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.932 1.286 -9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.579 1.448 -7.649 1.00 0.00 H new ATOM 38 N GLU A 4 73.823 3.883 -11.336 1.00 0.00 N ATOM 39 CA GLU A 4 74.155 3.352 -12.654 1.00 0.00 C ATOM 40 C GLU A 4 75.647 3.493 -12.935 1.00 0.00 C ATOM 41 O GLU A 4 76.341 2.503 -13.171 1.00 0.00 O ATOM 42 CB GLU A 4 73.356 4.089 -13.730 1.00 0.00 C ATOM 43 CG GLU A 4 71.870 3.758 -13.581 1.00 0.00 C ATOM 44 CD GLU A 4 71.047 4.615 -14.538 1.00 0.00 C ATOM 45 OE1 GLU A 4 70.972 5.812 -14.315 1.00 0.00 O ATOM 46 OE2 GLU A 4 70.503 4.061 -15.480 1.00 0.00 O1- ATOM 0 H GLU A 4 73.340 4.782 -11.346 1.00 0.00 H new ATOM 0 HA GLU A 4 73.897 2.293 -12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.510 5.164 -13.640 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.706 3.799 -14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.702 2.701 -13.789 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.550 3.935 -12.554 1.00 0.00 H new ATOM 53 N LYS A 5 76.140 4.726 -12.903 1.00 0.00 N ATOM 54 CA LYS A 5 77.554 4.968 -13.150 1.00 0.00 C ATOM 55 C LYS A 5 78.374 4.462 -11.974 1.00 0.00 C ATOM 56 O LYS A 5 79.569 4.195 -12.104 1.00 0.00 O ATOM 57 CB LYS A 5 77.807 6.465 -13.367 1.00 0.00 C ATOM 58 CG LYS A 5 77.535 6.826 -14.834 1.00 0.00 C ATOM 59 CD LYS A 5 77.215 8.323 -14.953 1.00 0.00 C ATOM 60 CE LYS A 5 75.716 8.550 -14.739 1.00 0.00 C ATOM 61 NZ LYS A 5 75.467 9.988 -14.440 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.589 5.563 -12.711 1.00 0.00 H new ATOM 0 HA LYS A 5 77.854 4.432 -14.051 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.163 7.052 -12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.836 6.712 -13.106 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.404 6.581 -15.445 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.701 6.236 -15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 5 77.787 8.886 -14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.512 8.691 -15.935 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.162 8.252 -15.629 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.357 7.930 -13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 74.720 10.069 -13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.340 10.424 -14.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.167 10.476 -15.308 1.00 0.00 H new ATOM 75 N GLY A 6 77.717 4.307 -10.831 1.00 0.00 N ATOM 76 CA GLY A 6 78.393 3.801 -9.648 1.00 0.00 C ATOM 77 C GLY A 6 78.710 2.330 -9.851 1.00 0.00 C ATOM 78 O GLY A 6 79.755 1.835 -9.429 1.00 0.00 O ATOM 0 H GLY A 6 76.729 4.522 -10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.310 4.363 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.762 3.932 -8.769 1.00 0.00 H new ATOM 82 N LYS A 7 77.794 1.642 -10.527 1.00 0.00 N ATOM 83 CA LYS A 7 77.970 0.229 -10.817 1.00 0.00 C ATOM 84 C LYS A 7 79.130 0.040 -11.789 1.00 0.00 C ATOM 85 O LYS A 7 79.950 -0.860 -11.620 1.00 0.00 O ATOM 86 CB LYS A 7 76.688 -0.339 -11.430 1.00 0.00 C ATOM 87 CG LYS A 7 76.766 -1.869 -11.467 1.00 0.00 C ATOM 88 CD LYS A 7 75.797 -2.417 -12.525 1.00 0.00 C ATOM 89 CE LYS A 7 76.470 -2.408 -13.903 1.00 0.00 C ATOM 90 NZ LYS A 7 75.602 -3.117 -14.882 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.925 2.042 -10.882 1.00 0.00 H new ATOM 0 HA LYS A 7 78.189 -0.299 -9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.824 -0.024 -10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.551 0.052 -12.438 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.784 -2.184 -11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.518 -2.278 -10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.496 -3.432 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.891 -1.812 -12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.642 -1.382 -14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.445 -2.893 -13.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 76.057 -3.112 -15.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.459 -4.099 -14.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 74.682 -2.636 -14.942 1.00 0.00 H new ATOM 104 N LYS A 8 79.193 0.897 -12.805 1.00 0.00 N ATOM 105 CA LYS A 8 80.262 0.811 -13.795 1.00 0.00 C ATOM 106 C LYS A 8 81.631 0.935 -13.127 1.00 0.00 C ATOM 107 O LYS A 8 82.533 0.126 -13.364 1.00 0.00 O ATOM 108 CB LYS A 8 80.093 1.923 -14.836 1.00 0.00 C ATOM 109 CG LYS A 8 81.283 1.917 -15.811 1.00 0.00 C ATOM 110 CD LYS A 8 82.273 3.029 -15.439 1.00 0.00 C ATOM 111 CE LYS A 8 81.787 4.367 -16.007 1.00 0.00 C ATOM 112 NZ LYS A 8 82.141 4.450 -17.452 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.524 1.651 -12.963 1.00 0.00 H new ATOM 0 HA LYS A 8 80.202 -0.161 -14.285 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.162 1.780 -15.385 1.00 0.00 H new ATOM 0 HB3 LYS A 8 80.025 2.891 -14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.783 0.949 -15.781 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.928 2.061 -16.831 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.368 3.096 -14.355 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.262 2.794 -15.832 1.00 0.00 H new ATOM 0 HE2 LYS A 8 80.708 4.458 -15.880 1.00 0.00 H new ATOM 0 HE3 LYS A 8 82.243 5.193 -15.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.362 5.436 -17.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.970 3.851 -17.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 81.338 4.121 -18.026 1.00 0.00 H new ATOM 126 N ILE A 9 81.780 1.958 -12.294 1.00 0.00 N ATOM 127 CA ILE A 9 83.039 2.189 -11.601 1.00 0.00 C ATOM 128 C ILE A 9 83.339 1.064 -10.617 1.00 0.00 C ATOM 129 O ILE A 9 84.488 0.852 -10.237 1.00 0.00 O ATOM 130 CB ILE A 9 82.972 3.513 -10.842 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.701 4.654 -11.826 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.301 3.760 -10.130 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.321 5.917 -11.051 1.00 0.00 C ATOM 0 H ILE A 9 81.048 2.637 -12.084 1.00 0.00 H new ATOM 0 HA ILE A 9 83.835 2.222 -12.345 1.00 0.00 H new ATOM 0 HB ILE A 9 82.168 3.469 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.585 4.841 -12.435 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.897 4.377 -12.508 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.254 4.705 -9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.494 2.949 -9.428 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.105 3.803 -10.865 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.128 6.729 -11.752 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.425 5.726 -10.461 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.139 6.197 -10.387 1.00 0.00 H new ATOM 145 N PHE A 10 82.301 0.356 -10.195 1.00 0.00 N ATOM 146 CA PHE A 10 82.476 -0.731 -9.236 1.00 0.00 C ATOM 147 C PHE A 10 82.943 -2.019 -9.919 1.00 0.00 C ATOM 148 O PHE A 10 83.930 -2.623 -9.503 1.00 0.00 O ATOM 149 CB PHE A 10 81.153 -0.996 -8.504 1.00 0.00 C ATOM 150 CG PHE A 10 81.133 -2.420 -8.000 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.645 -3.444 -8.821 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.616 -2.718 -6.722 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.642 -4.766 -8.365 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.611 -4.040 -6.264 1.00 0.00 C ATOM 155 CZ PHE A 10 81.124 -5.065 -7.086 1.00 0.00 C ATOM 0 H PHE A 10 81.339 0.510 -10.496 1.00 0.00 H new ATOM 0 HA PHE A 10 83.244 -0.425 -8.525 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.041 -0.302 -7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.312 -0.825 -9.176 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.271 -3.213 -9.807 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.993 -1.928 -6.089 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.268 -5.556 -9.000 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.983 -4.271 -5.277 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.121 -6.085 -6.732 1.00 0.00 H new ATOM 165 N VAL A 11 82.221 -2.443 -10.953 1.00 0.00 N ATOM 166 CA VAL A 11 82.564 -3.674 -11.662 1.00 0.00 C ATOM 167 C VAL A 11 84.006 -3.656 -12.135 1.00 0.00 C ATOM 168 O VAL A 11 84.645 -4.702 -12.249 1.00 0.00 O ATOM 169 CB VAL A 11 81.650 -3.869 -12.870 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.211 -4.050 -12.396 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.734 -2.643 -13.778 1.00 0.00 C ATOM 0 H VAL A 11 81.401 -1.957 -11.317 1.00 0.00 H new ATOM 0 HA VAL A 11 82.431 -4.498 -10.961 1.00 0.00 H new ATOM 0 HB VAL A 11 81.966 -4.754 -13.423 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.559 -4.189 -13.258 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.148 -4.925 -11.749 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.896 -3.166 -11.842 1.00 0.00 H new ATOM 0 HG21 VAL A 11 81.081 -2.783 -14.640 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.419 -1.758 -13.225 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.761 -2.512 -14.118 1.00 0.00 H new ATOM 181 N GLN A 12 84.507 -2.470 -12.442 1.00 0.00 N ATOM 182 CA GLN A 12 85.875 -2.352 -12.938 1.00 0.00 C ATOM 183 C GLN A 12 86.869 -1.971 -11.841 1.00 0.00 C ATOM 184 O GLN A 12 88.066 -2.215 -11.985 1.00 0.00 O ATOM 185 CB GLN A 12 85.934 -1.308 -14.052 1.00 0.00 C ATOM 186 CG GLN A 12 85.524 0.066 -13.507 1.00 0.00 C ATOM 187 CD GLN A 12 84.963 0.920 -14.634 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.331 2.087 -14.776 1.00 0.00 O ATOM 189 NE2 GLN A 12 84.089 0.405 -15.452 1.00 0.00 N ATOM 0 H GLN A 12 84.001 -1.588 -12.360 1.00 0.00 H new ATOM 0 HA GLN A 12 86.161 -3.333 -13.316 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.943 -1.259 -14.463 1.00 0.00 H new ATOM 0 HB3 GLN A 12 85.271 -1.597 -14.868 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.778 -0.052 -12.721 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.385 0.561 -13.057 1.00 0.00 H new ATOM 0 HE21 GLN A 12 83.786 -0.562 -15.332 1.00 0.00 H new ATOM 0 HE22 GLN A 12 83.708 0.968 -16.212 1.00 0.00 H new ATOM 198 N LYS A 13 86.393 -1.341 -10.767 1.00 0.00 N ATOM 199 CA LYS A 13 87.304 -0.909 -9.702 1.00 0.00 C ATOM 200 C LYS A 13 87.309 -1.825 -8.471 1.00 0.00 C ATOM 201 O LYS A 13 88.345 -2.392 -8.132 1.00 0.00 O ATOM 202 CB LYS A 13 86.962 0.522 -9.275 1.00 0.00 C ATOM 203 CG LYS A 13 88.178 1.162 -8.594 1.00 0.00 C ATOM 204 CD LYS A 13 87.933 2.665 -8.403 1.00 0.00 C ATOM 205 CE LYS A 13 88.432 3.430 -9.632 1.00 0.00 C ATOM 206 NZ LYS A 13 89.918 3.525 -9.588 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.409 -1.122 -10.611 1.00 0.00 H new ATOM 0 HA LYS A 13 88.307 -0.960 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.668 1.111 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.112 0.515 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.358 0.688 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.071 1.003 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.870 2.854 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.449 3.017 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 13 88.116 2.922 -10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.994 4.428 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 90.224 4.399 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 90.236 3.537 -8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 90.333 2.705 -10.074 1.00 0.00 H new ATOM 220 N CYS A 14 86.179 -1.926 -7.767 1.00 0.00 N ATOM 221 CA CYS A 14 86.133 -2.732 -6.537 1.00 0.00 C ATOM 222 C CYS A 14 85.853 -4.214 -6.789 1.00 0.00 C ATOM 223 O CYS A 14 86.382 -5.070 -6.081 1.00 0.00 O ATOM 224 CB CYS A 14 85.076 -2.174 -5.577 1.00 0.00 C ATOM 225 SG CYS A 14 84.993 -0.365 -5.711 1.00 0.00 S ATOM 0 H CYS A 14 85.300 -1.472 -8.017 1.00 0.00 H new ATOM 0 HA CYS A 14 87.127 -2.664 -6.094 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.102 -2.607 -5.806 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.319 -2.459 -4.553 1.00 0.00 H new ATOM 0 HG CYS A 14 84.091 0.090 -4.893 1.00 0.00 H new ATOM 230 N ALA A 15 85.020 -4.523 -7.768 1.00 0.00 N ATOM 231 CA ALA A 15 84.694 -5.919 -8.046 1.00 0.00 C ATOM 232 C ALA A 15 85.961 -6.767 -8.099 1.00 0.00 C ATOM 233 O ALA A 15 85.927 -7.969 -7.831 1.00 0.00 O ATOM 234 CB ALA A 15 83.951 -6.026 -9.375 1.00 0.00 C ATOM 0 H ALA A 15 84.562 -3.844 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 15 84.057 -6.290 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.712 -7.070 -9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.030 -5.446 -9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.580 -5.638 -10.176 1.00 0.00 H new ATOM 240 N GLN A 16 87.072 -6.135 -8.448 1.00 0.00 N ATOM 241 CA GLN A 16 88.345 -6.838 -8.539 1.00 0.00 C ATOM 242 C GLN A 16 88.602 -7.688 -7.295 1.00 0.00 C ATOM 243 O GLN A 16 88.731 -8.909 -7.391 1.00 0.00 O ATOM 244 CB GLN A 16 89.478 -5.826 -8.713 1.00 0.00 C ATOM 245 CG GLN A 16 89.295 -5.070 -10.038 1.00 0.00 C ATOM 246 CD GLN A 16 90.237 -5.630 -11.101 1.00 0.00 C ATOM 247 OE1 GLN A 16 89.808 -6.385 -11.975 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.500 -5.304 -11.080 1.00 0.00 N ATOM 0 H GLN A 16 87.119 -5.141 -8.672 1.00 0.00 H new ATOM 0 HA GLN A 16 88.305 -7.503 -9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.483 -5.124 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.441 -6.337 -8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 16 88.262 -5.157 -10.375 1.00 0.00 H new ATOM 0 HG3 GLN A 16 89.493 -4.008 -9.889 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.853 -4.679 -10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.134 -5.674 -11.788 1.00 0.00 H new ATOM 257 N CYS A 17 88.688 -7.042 -6.131 1.00 0.00 N ATOM 258 CA CYS A 17 88.946 -7.766 -4.884 1.00 0.00 C ATOM 259 C CYS A 17 87.823 -7.545 -3.861 1.00 0.00 C ATOM 260 O CYS A 17 88.089 -7.252 -2.695 1.00 0.00 O ATOM 261 CB CYS A 17 90.291 -7.318 -4.281 1.00 0.00 C ATOM 262 SG CYS A 17 91.336 -6.582 -5.571 1.00 0.00 S ATOM 0 H CYS A 17 88.585 -6.033 -6.025 1.00 0.00 H new ATOM 0 HA CYS A 17 88.986 -8.829 -5.120 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.119 -6.594 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.800 -8.171 -3.832 1.00 0.00 H new ATOM 0 HG CYS A 17 92.467 -6.206 -5.051 1.00 0.00 H new ATOM 267 N HIS A 18 86.573 -7.701 -4.294 1.00 0.00 N ATOM 268 CA HIS A 18 85.436 -7.526 -3.384 1.00 0.00 C ATOM 269 C HIS A 18 84.210 -8.285 -3.889 1.00 0.00 C ATOM 270 O HIS A 18 84.273 -8.997 -4.891 1.00 0.00 O ATOM 271 CB HIS A 18 85.089 -6.041 -3.236 1.00 0.00 C ATOM 272 CG HIS A 18 86.035 -5.388 -2.263 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.844 -5.437 -0.890 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.177 -4.659 -2.455 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.851 -4.749 -0.316 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.692 -4.253 -1.227 1.00 0.00 N ATOM 0 H HIS A 18 86.321 -7.944 -5.252 1.00 0.00 H new ATOM 0 HA HIS A 18 85.725 -7.928 -2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.151 -5.546 -4.205 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.062 -5.932 -2.887 1.00 0.00 H new ATOM 0 HD1 HIS A 18 85.081 -5.908 -0.404 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.614 -4.432 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.964 -4.615 0.750 1.00 0.00 H new ATOM 284 N THR A 19 83.094 -8.126 -3.177 1.00 0.00 N ATOM 285 CA THR A 19 81.848 -8.798 -3.542 1.00 0.00 C ATOM 286 C THR A 19 80.654 -7.871 -3.303 1.00 0.00 C ATOM 287 O THR A 19 79.687 -7.876 -4.065 1.00 0.00 O ATOM 288 CB THR A 19 81.699 -10.077 -2.706 1.00 0.00 C ATOM 289 OG1 THR A 19 82.926 -10.344 -2.043 1.00 0.00 O ATOM 290 CG2 THR A 19 81.349 -11.255 -3.612 1.00 0.00 C ATOM 0 H THR A 19 83.028 -7.539 -2.346 1.00 0.00 H new ATOM 0 HA THR A 19 81.876 -9.057 -4.600 1.00 0.00 H new ATOM 0 HB THR A 19 80.902 -9.939 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.869 -10.039 -1.114 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.245 -12.158 -3.011 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.410 -11.052 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.142 -11.397 -4.346 1.00 0.00 H new ATOM 298 N VAL A 20 80.742 -7.077 -2.240 1.00 0.00 N ATOM 299 CA VAL A 20 79.687 -6.128 -1.887 1.00 0.00 C ATOM 300 C VAL A 20 78.291 -6.735 -2.027 1.00 0.00 C ATOM 301 O VAL A 20 77.340 -6.039 -2.380 1.00 0.00 O ATOM 302 CB VAL A 20 79.800 -4.872 -2.755 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.224 -4.322 -2.662 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.490 -5.210 -4.212 1.00 0.00 C ATOM 0 H VAL A 20 81.539 -7.071 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 20 79.824 -5.865 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 20 79.087 -4.128 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.309 -3.427 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.450 -4.071 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.929 -5.075 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.573 -4.309 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.198 -5.957 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.477 -5.605 -4.286 1.00 0.00 H new ATOM 314 N GLU A 21 78.167 -8.025 -1.737 1.00 0.00 N ATOM 315 CA GLU A 21 76.870 -8.696 -1.826 1.00 0.00 C ATOM 316 C GLU A 21 76.670 -9.623 -0.630 1.00 0.00 C ATOM 317 O GLU A 21 77.488 -10.504 -0.370 1.00 0.00 O ATOM 318 CB GLU A 21 76.771 -9.493 -3.128 1.00 0.00 C ATOM 319 CG GLU A 21 77.971 -10.433 -3.252 1.00 0.00 C ATOM 320 CD GLU A 21 77.998 -11.063 -4.640 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.991 -10.319 -5.607 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.027 -12.280 -4.716 1.00 0.00 O ATOM 0 H GLU A 21 78.938 -8.624 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 21 76.087 -7.937 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.845 -10.067 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 21 76.740 -8.813 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.895 -9.882 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.914 -11.211 -2.491 1.00 0.00 H new ATOM 329 N LYS A 22 75.582 -9.407 0.102 1.00 0.00 N ATOM 330 CA LYS A 22 75.291 -10.220 1.278 1.00 0.00 C ATOM 331 C LYS A 22 74.929 -11.648 0.880 1.00 0.00 C ATOM 332 O LYS A 22 74.118 -11.869 -0.018 1.00 0.00 O ATOM 333 CB LYS A 22 74.135 -9.598 2.068 1.00 0.00 C ATOM 334 CG LYS A 22 73.917 -10.372 3.381 1.00 0.00 C ATOM 335 CD LYS A 22 72.734 -11.341 3.234 1.00 0.00 C ATOM 336 CE LYS A 22 71.422 -10.595 3.490 1.00 0.00 C ATOM 337 NZ LYS A 22 70.272 -11.500 3.208 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.892 -8.682 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 22 76.185 -10.251 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 22 74.353 -8.552 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 22 73.224 -9.616 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.820 -10.925 3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.726 -9.674 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 22 72.728 -11.774 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.838 -12.166 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.383 -10.251 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 22 71.365 -9.710 2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 69.381 -10.993 3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 70.307 -11.807 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 70.324 -12.332 3.830 1.00 0.00 H new ATOM 351 N GLY A 23 75.535 -12.614 1.565 1.00 0.00 N ATOM 352 CA GLY A 23 75.271 -14.022 1.290 1.00 0.00 C ATOM 353 C GLY A 23 76.078 -14.513 0.095 1.00 0.00 C ATOM 354 O GLY A 23 75.739 -15.525 -0.520 1.00 0.00 O ATOM 0 H GLY A 23 76.210 -12.448 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.518 -14.619 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.208 -14.164 1.097 1.00 0.00 H new ATOM 358 N GLY A 24 77.148 -13.795 -0.232 1.00 0.00 N ATOM 359 CA GLY A 24 77.996 -14.176 -1.358 1.00 0.00 C ATOM 360 C GLY A 24 79.284 -14.833 -0.879 1.00 0.00 C ATOM 361 O GLY A 24 79.259 -15.738 -0.043 1.00 0.00 O ATOM 0 H GLY A 24 77.447 -12.954 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.454 -14.863 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.234 -13.294 -1.953 1.00 0.00 H new ATOM 365 N LYS A 25 80.409 -14.376 -1.418 1.00 0.00 N ATOM 366 CA LYS A 25 81.707 -14.927 -1.046 1.00 0.00 C ATOM 367 C LYS A 25 82.804 -13.876 -1.201 1.00 0.00 C ATOM 368 O LYS A 25 83.020 -13.346 -2.291 1.00 0.00 O ATOM 369 CB LYS A 25 82.029 -16.136 -1.928 1.00 0.00 C ATOM 370 CG LYS A 25 81.972 -15.724 -3.404 1.00 0.00 C ATOM 371 CD LYS A 25 81.822 -16.967 -4.287 1.00 0.00 C ATOM 372 CE LYS A 25 81.490 -16.538 -5.718 1.00 0.00 C ATOM 373 NZ LYS A 25 80.036 -16.226 -5.818 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.449 -13.629 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 25 81.664 -15.236 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.019 -16.523 -1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.317 -16.939 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.134 -15.047 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.878 -15.182 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.744 -17.549 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.034 -17.611 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 25 82.080 -15.664 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.751 -17.332 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.786 -16.050 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 79.483 -17.030 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.823 -15.380 -5.252 1.00 0.00 H new ATOM 387 N HIS A 26 83.496 -13.580 -0.105 1.00 0.00 N ATOM 388 CA HIS A 26 84.572 -12.593 -0.136 1.00 0.00 C ATOM 389 C HIS A 26 85.773 -13.145 -0.904 1.00 0.00 C ATOM 390 O HIS A 26 86.289 -14.214 -0.579 1.00 0.00 O ATOM 391 CB HIS A 26 84.997 -12.210 1.294 1.00 0.00 C ATOM 392 CG HIS A 26 84.424 -13.189 2.283 1.00 0.00 C ATOM 393 ND1 HIS A 26 83.081 -13.196 2.625 1.00 0.00 N ATOM 394 CD2 HIS A 26 85.002 -14.200 3.012 1.00 0.00 C ATOM 395 CE1 HIS A 26 82.896 -14.181 3.523 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.035 -14.824 3.794 1.00 0.00 N ATOM 0 H HIS A 26 83.334 -14.005 0.808 1.00 0.00 H new ATOM 0 HA HIS A 26 84.204 -11.701 -0.642 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.084 -12.200 1.368 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.653 -11.202 1.527 1.00 0.00 H new ATOM 0 HD2 HIS A 26 86.047 -14.469 2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 26 81.943 -14.422 3.970 1.00 0.00 H new ATOM 0 HE2 HIS A 26 84.167 -15.605 4.437 1.00 0.00 H new ATOM 405 N LYS A 27 86.208 -12.410 -1.926 1.00 0.00 N ATOM 406 CA LYS A 27 87.347 -12.834 -2.742 1.00 0.00 C ATOM 407 C LYS A 27 88.487 -11.823 -2.638 1.00 0.00 C ATOM 408 O LYS A 27 88.275 -10.618 -2.768 1.00 0.00 O ATOM 409 CB LYS A 27 86.912 -12.972 -4.210 1.00 0.00 C ATOM 410 CG LYS A 27 86.706 -14.452 -4.558 1.00 0.00 C ATOM 411 CD LYS A 27 86.335 -14.588 -6.040 1.00 0.00 C ATOM 412 CE LYS A 27 84.831 -14.363 -6.221 1.00 0.00 C ATOM 413 NZ LYS A 27 84.464 -14.598 -7.646 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.792 -11.522 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 27 87.699 -13.798 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.988 -12.418 -4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.668 -12.538 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 27 87.615 -15.015 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 27 85.918 -14.876 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.894 -13.864 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.610 -15.578 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.271 -15.037 -5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 27 84.566 -13.347 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 83.443 -14.446 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 84.990 -13.937 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 84.703 -15.575 -7.909 1.00 0.00 H new ATOM 427 N THR A 28 89.696 -12.329 -2.405 1.00 0.00 N ATOM 428 CA THR A 28 90.873 -11.472 -2.287 1.00 0.00 C ATOM 429 C THR A 28 90.524 -10.170 -1.574 1.00 0.00 C ATOM 430 O THR A 28 91.162 -9.140 -1.786 1.00 0.00 O ATOM 431 CB THR A 28 91.432 -11.165 -3.682 1.00 0.00 C ATOM 432 OG1 THR A 28 91.519 -12.372 -4.425 1.00 0.00 O ATOM 433 CG2 THR A 28 92.825 -10.534 -3.568 1.00 0.00 C ATOM 0 H THR A 28 89.886 -13.325 -2.294 1.00 0.00 H new ATOM 0 HA THR A 28 91.626 -11.997 -1.700 1.00 0.00 H new ATOM 0 HB THR A 28 90.768 -10.464 -4.188 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.874 -12.181 -5.318 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.211 -10.321 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.759 -9.607 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.497 -11.225 -3.059 1.00 0.00 H new ATOM 441 N GLY A 29 89.506 -10.226 -0.724 1.00 0.00 N ATOM 442 CA GLY A 29 89.078 -9.049 0.019 1.00 0.00 C ATOM 443 C GLY A 29 87.841 -9.362 0.854 1.00 0.00 C ATOM 444 O GLY A 29 87.108 -10.305 0.560 1.00 0.00 O ATOM 0 H GLY A 29 88.965 -11.069 -0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.885 -8.709 0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.860 -8.235 -0.672 1.00 0.00 H new ATOM 448 N PRO A 30 87.599 -8.595 1.886 1.00 0.00 N ATOM 449 CA PRO A 30 86.423 -8.801 2.781 1.00 0.00 C ATOM 450 C PRO A 30 85.116 -8.348 2.136 1.00 0.00 C ATOM 451 O PRO A 30 85.119 -7.648 1.124 1.00 0.00 O ATOM 452 CB PRO A 30 86.755 -7.941 4.003 1.00 0.00 C ATOM 453 CG PRO A 30 87.626 -6.847 3.479 1.00 0.00 C ATOM 454 CD PRO A 30 88.418 -7.448 2.314 1.00 0.00 C ATOM 0 HA PRO A 30 86.266 -9.853 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.851 -7.541 4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.269 -8.523 4.768 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.027 -5.999 3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.296 -6.478 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.550 -6.728 1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.414 -7.762 2.627 1.00 0.00 H new ATOM 462 N ASN A 31 84.000 -8.753 2.735 1.00 0.00 N ATOM 463 CA ASN A 31 82.684 -8.390 2.221 1.00 0.00 C ATOM 464 C ASN A 31 82.216 -7.068 2.831 1.00 0.00 C ATOM 465 O ASN A 31 82.227 -6.900 4.050 1.00 0.00 O ATOM 466 CB ASN A 31 81.679 -9.495 2.556 1.00 0.00 C ATOM 467 CG ASN A 31 81.322 -9.452 4.038 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.615 -8.548 4.482 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.772 -10.383 4.835 1.00 0.00 N ATOM 0 H ASN A 31 83.981 -9.331 3.575 1.00 0.00 H new ATOM 0 HA ASN A 31 82.751 -8.272 1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.779 -9.372 1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.100 -10.468 2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.538 -10.362 5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.358 -11.132 4.465 1.00 0.00 H new ATOM 476 N LEU A 32 81.802 -6.136 1.976 1.00 0.00 N ATOM 477 CA LEU A 32 81.329 -4.836 2.444 1.00 0.00 C ATOM 478 C LEU A 32 79.857 -4.912 2.842 1.00 0.00 C ATOM 479 O LEU A 32 79.098 -3.966 2.633 1.00 0.00 O ATOM 480 CB LEU A 32 81.502 -3.773 1.348 1.00 0.00 C ATOM 481 CG LEU A 32 82.923 -3.811 0.762 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.233 -2.470 0.081 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.952 -4.050 1.870 1.00 0.00 C ATOM 0 H LEU A 32 81.784 -6.255 0.963 1.00 0.00 H new ATOM 0 HA LEU A 32 81.923 -4.557 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.773 -3.941 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.301 -2.784 1.761 1.00 0.00 H new ATOM 0 HG LEU A 32 82.978 -4.624 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.240 -2.497 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.515 -2.294 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.164 -1.666 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.953 -4.074 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.892 -3.245 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.745 -5.002 2.360 1.00 0.00 H new ATOM 495 N HIS A 33 79.462 -6.042 3.419 1.00 0.00 N ATOM 496 CA HIS A 33 78.077 -6.231 3.845 1.00 0.00 C ATOM 497 C HIS A 33 77.656 -5.132 4.819 1.00 0.00 C ATOM 498 O HIS A 33 78.209 -5.013 5.912 1.00 0.00 O ATOM 499 CB HIS A 33 77.916 -7.591 4.526 1.00 0.00 C ATOM 500 CG HIS A 33 78.185 -8.695 3.540 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.409 -10.002 3.943 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.266 -8.707 2.169 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.612 -10.740 2.836 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.536 -9.999 1.727 1.00 0.00 N ATOM 0 H HIS A 33 80.075 -6.836 3.602 1.00 0.00 H new ATOM 0 HA HIS A 33 77.443 -6.186 2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.604 -7.669 5.368 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.907 -7.689 4.928 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.139 -7.845 1.531 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.812 -11.801 2.843 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.651 -10.313 0.763 1.00 0.00 H new ATOM 513 N GLY A 34 76.668 -4.336 4.420 1.00 0.00 N ATOM 514 CA GLY A 34 76.180 -3.255 5.269 1.00 0.00 C ATOM 515 C GLY A 34 77.339 -2.456 5.856 1.00 0.00 C ATOM 516 O GLY A 34 77.356 -2.149 7.048 1.00 0.00 O ATOM 0 H GLY A 34 76.193 -4.418 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.535 -2.595 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.572 -3.667 6.075 1.00 0.00 H new ATOM 520 N LEU A 35 78.304 -2.122 5.008 1.00 0.00 N ATOM 521 CA LEU A 35 79.468 -1.358 5.443 1.00 0.00 C ATOM 522 C LEU A 35 79.038 -0.105 6.201 1.00 0.00 C ATOM 523 O LEU A 35 79.429 0.106 7.348 1.00 0.00 O ATOM 524 CB LEU A 35 80.296 -0.956 4.217 1.00 0.00 C ATOM 525 CG LEU A 35 81.603 -0.279 4.656 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.676 -1.340 4.908 1.00 0.00 C ATOM 527 CD2 LEU A 35 82.082 0.677 3.561 1.00 0.00 C ATOM 0 H LEU A 35 78.304 -2.367 4.018 1.00 0.00 H new ATOM 0 HA LEU A 35 80.067 -1.979 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.519 -1.837 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.720 -0.277 3.587 1.00 0.00 H new ATOM 0 HG LEU A 35 81.424 0.280 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.601 -0.855 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.340 -2.018 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.852 -1.904 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 35 83.009 1.155 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 35 82.256 0.119 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 35 81.322 1.439 3.385 1.00 0.00 H new ATOM 539 N PHE A 36 78.240 0.722 5.542 1.00 0.00 N ATOM 540 CA PHE A 36 77.760 1.961 6.146 1.00 0.00 C ATOM 541 C PHE A 36 77.212 1.706 7.547 1.00 0.00 C ATOM 542 O PHE A 36 76.039 1.378 7.716 1.00 0.00 O ATOM 543 CB PHE A 36 76.671 2.577 5.262 1.00 0.00 C ATOM 544 CG PHE A 36 77.135 2.564 3.823 1.00 0.00 C ATOM 545 CD1 PHE A 36 76.970 1.413 3.044 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.741 3.699 3.271 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.410 1.396 1.716 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.181 3.682 1.945 1.00 0.00 C ATOM 549 CZ PHE A 36 78.018 2.531 1.166 1.00 0.00 C ATOM 0 H PHE A 36 77.910 0.560 4.590 1.00 0.00 H new ATOM 0 HA PHE A 36 78.597 2.654 6.228 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.743 2.015 5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.462 3.598 5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.502 0.537 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.868 4.588 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.281 0.508 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.648 4.559 1.521 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.361 2.518 0.142 1.00 0.00 H new ATOM 559 N GLY A 37 78.075 1.861 8.549 1.00 0.00 N ATOM 560 CA GLY A 37 77.679 1.647 9.938 1.00 0.00 C ATOM 561 C GLY A 37 78.689 0.764 10.664 1.00 0.00 C ATOM 562 O GLY A 37 78.856 0.861 11.879 1.00 0.00 O ATOM 0 H GLY A 37 79.050 2.133 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.596 2.607 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.694 1.182 9.972 1.00 0.00 H new ATOM 566 N ARG A 38 79.362 -0.097 9.907 1.00 0.00 N ATOM 567 CA ARG A 38 80.356 -0.998 10.482 1.00 0.00 C ATOM 568 C ARG A 38 81.646 -0.242 10.798 1.00 0.00 C ATOM 569 O ARG A 38 82.081 0.607 10.022 1.00 0.00 O ATOM 570 CB ARG A 38 80.660 -2.133 9.488 1.00 0.00 C ATOM 571 CG ARG A 38 80.006 -3.438 9.951 1.00 0.00 C ATOM 572 CD ARG A 38 80.500 -4.589 9.071 1.00 0.00 C ATOM 573 NE ARG A 38 80.274 -4.285 7.664 1.00 0.00 N ATOM 574 CZ ARG A 38 80.725 -5.092 6.709 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.351 -6.190 7.028 1.00 0.00 N ATOM 576 NH2 ARG A 38 80.538 -4.789 5.456 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.238 -0.190 8.899 1.00 0.00 H new ATOM 0 HA ARG A 38 79.956 -1.414 11.407 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.292 -1.866 8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.738 -2.270 9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 38 80.252 -3.631 10.995 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.921 -3.357 9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.562 -4.760 9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.981 -5.509 9.339 1.00 0.00 H new ATOM 0 HE ARG A 38 79.762 -3.441 7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.494 -6.429 8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.698 -6.810 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 38 80.045 -3.932 5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 38 80.885 -5.409 4.724 1.00 0.00 H new ATOM 590 N LYS A 39 82.260 -0.568 11.930 1.00 0.00 N ATOM 591 CA LYS A 39 83.510 0.079 12.315 1.00 0.00 C ATOM 592 C LYS A 39 84.608 -0.320 11.330 1.00 0.00 C ATOM 593 O LYS A 39 84.366 -1.105 10.413 1.00 0.00 O ATOM 594 CB LYS A 39 83.897 -0.333 13.748 1.00 0.00 C ATOM 595 CG LYS A 39 83.772 0.865 14.702 1.00 0.00 C ATOM 596 CD LYS A 39 84.989 1.783 14.555 1.00 0.00 C ATOM 597 CE LYS A 39 84.997 2.805 15.694 1.00 0.00 C ATOM 598 NZ LYS A 39 83.620 3.340 15.890 1.00 0.00 N1+ ATOM 0 H LYS A 39 81.919 -1.267 12.590 1.00 0.00 H new ATOM 0 HA LYS A 39 83.384 1.161 12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.253 -1.144 14.086 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.919 -0.711 13.761 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.860 1.420 14.484 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.693 0.514 15.731 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.906 1.194 14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.958 2.295 13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 39 85.352 2.339 16.613 1.00 0.00 H new ATOM 0 HE3 LYS A 39 85.685 3.618 15.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.671 4.269 16.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.152 3.440 14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 83.075 2.685 16.486 1.00 0.00 H new ATOM 612 N THR A 40 85.807 0.226 11.508 1.00 0.00 N ATOM 613 CA THR A 40 86.912 -0.090 10.610 1.00 0.00 C ATOM 614 C THR A 40 87.616 -1.382 11.025 1.00 0.00 C ATOM 615 O THR A 40 87.910 -1.594 12.201 1.00 0.00 O ATOM 616 CB THR A 40 87.926 1.058 10.609 1.00 0.00 C ATOM 617 OG1 THR A 40 88.189 1.455 11.945 1.00 0.00 O ATOM 618 CG2 THR A 40 87.364 2.248 9.826 1.00 0.00 C ATOM 0 H THR A 40 86.037 0.881 12.256 1.00 0.00 H new ATOM 0 HA THR A 40 86.500 -0.227 9.610 1.00 0.00 H new ATOM 0 HB THR A 40 88.849 0.722 10.137 1.00 0.00 H new ATOM 0 HG1 THR A 40 87.566 2.166 12.204 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.090 3.061 9.829 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.163 1.945 8.798 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.439 2.586 10.292 1.00 0.00 H new ATOM 626 N GLY A 41 87.901 -2.228 10.038 1.00 0.00 N ATOM 627 CA GLY A 41 88.600 -3.490 10.280 1.00 0.00 C ATOM 628 C GLY A 41 87.914 -4.353 11.334 1.00 0.00 C ATOM 629 O GLY A 41 88.560 -4.820 12.273 1.00 0.00 O ATOM 0 H GLY A 41 87.659 -2.063 9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.666 -4.049 9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.621 -3.279 10.598 1.00 0.00 H new ATOM 633 N GLN A 42 86.612 -4.578 11.177 1.00 0.00 N ATOM 634 CA GLN A 42 85.875 -5.406 12.132 1.00 0.00 C ATOM 635 C GLN A 42 85.035 -6.453 11.403 1.00 0.00 C ATOM 636 O GLN A 42 84.268 -7.187 12.026 1.00 0.00 O ATOM 637 CB GLN A 42 84.970 -4.530 13.002 1.00 0.00 C ATOM 638 CG GLN A 42 84.331 -3.444 12.141 1.00 0.00 C ATOM 639 CD GLN A 42 83.519 -4.081 11.026 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.451 -4.639 11.276 1.00 0.00 O ATOM 641 NE2 GLN A 42 83.967 -4.034 9.803 1.00 0.00 N ATOM 0 H GLN A 42 86.051 -4.206 10.411 1.00 0.00 H new ATOM 0 HA GLN A 42 86.597 -5.919 12.768 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.197 -5.140 13.470 1.00 0.00 H new ATOM 0 HB3 GLN A 42 85.549 -4.077 13.807 1.00 0.00 H new ATOM 0 HG2 GLN A 42 83.689 -2.812 12.755 1.00 0.00 H new ATOM 0 HG3 GLN A 42 85.103 -2.801 11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 42 84.853 -3.570 9.602 1.00 0.00 H new ATOM 0 HE22 GLN A 42 83.432 -4.461 9.047 1.00 0.00 H new ATOM 701 N THR A 47 91.868 -11.166 7.313 1.00 0.00 N ATOM 702 CA THR A 47 92.691 -10.748 8.443 1.00 0.00 C ATOM 703 C THR A 47 93.039 -9.268 8.328 1.00 0.00 C ATOM 704 O THR A 47 94.092 -8.904 7.805 1.00 0.00 O ATOM 705 CB THR A 47 93.977 -11.576 8.485 1.00 0.00 C ATOM 706 OG1 THR A 47 93.648 -12.955 8.559 1.00 0.00 O ATOM 707 CG2 THR A 47 94.800 -11.179 9.712 1.00 0.00 C ATOM 0 HA THR A 47 92.127 -10.908 9.362 1.00 0.00 H new ATOM 0 HB THR A 47 94.560 -11.390 7.583 1.00 0.00 H new ATOM 0 HG1 THR A 47 92.863 -13.134 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.716 -11.769 9.742 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.052 -10.120 9.654 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.219 -11.365 10.615 1.00 0.00 H new ATOM 715 N TYR A 48 92.143 -8.420 8.819 1.00 0.00 N ATOM 716 CA TYR A 48 92.355 -6.978 8.767 1.00 0.00 C ATOM 717 C TYR A 48 93.655 -6.596 9.467 1.00 0.00 C ATOM 718 O TYR A 48 94.118 -7.298 10.366 1.00 0.00 O ATOM 719 CB TYR A 48 91.185 -6.260 9.445 1.00 0.00 C ATOM 720 CG TYR A 48 90.008 -6.205 8.503 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.927 -5.187 7.548 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.994 -7.167 8.589 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.833 -5.128 6.679 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.901 -7.108 7.718 1.00 0.00 C ATOM 725 CZ TYR A 48 87.820 -6.088 6.763 1.00 0.00 C ATOM 726 OH TYR A 48 86.741 -6.026 5.909 1.00 0.00 O ATOM 0 H TYR A 48 91.266 -8.704 9.256 1.00 0.00 H new ATOM 0 HA TYR A 48 92.419 -6.678 7.721 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.906 -6.782 10.360 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.482 -5.251 9.731 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.710 -4.446 7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 48 89.056 -7.953 9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.771 -4.340 5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.119 -7.850 7.782 1.00 0.00 H new ATOM 0 HH TYR A 48 86.791 -5.204 5.378 1.00 0.00 H new ATOM 736 N THR A 49 94.238 -5.473 9.053 1.00 0.00 N ATOM 737 CA THR A 49 95.480 -5.003 9.656 1.00 0.00 C ATOM 738 C THR A 49 95.189 -4.268 10.960 1.00 0.00 C ATOM 739 O THR A 49 94.093 -3.748 11.155 1.00 0.00 O ATOM 740 CB THR A 49 96.211 -4.068 8.689 1.00 0.00 C ATOM 741 OG1 THR A 49 95.400 -2.931 8.431 1.00 0.00 O ATOM 742 CG2 THR A 49 96.496 -4.803 7.379 1.00 0.00 C ATOM 0 H THR A 49 93.873 -4.877 8.309 1.00 0.00 H new ATOM 0 HA THR A 49 96.112 -5.865 9.869 1.00 0.00 H new ATOM 0 HB THR A 49 97.154 -3.750 9.134 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.919 -2.116 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 49 97.016 -4.135 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 49 97.119 -5.675 7.579 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.556 -5.124 6.930 1.00 0.00 H new ATOM 750 N ASP A 50 96.176 -4.230 11.851 1.00 0.00 N ATOM 751 CA ASP A 50 96.010 -3.556 13.136 1.00 0.00 C ATOM 752 C ASP A 50 95.459 -2.147 12.945 1.00 0.00 C ATOM 753 O ASP A 50 94.581 -1.709 13.687 1.00 0.00 O ATOM 754 CB ASP A 50 97.353 -3.486 13.865 1.00 0.00 C ATOM 755 CG ASP A 50 97.200 -2.713 15.170 1.00 0.00 C ATOM 756 OD1 ASP A 50 96.170 -2.863 15.806 1.00 0.00 O ATOM 757 OD2 ASP A 50 98.114 -1.982 15.514 1.00 0.00 O1- ATOM 0 H ASP A 50 97.093 -4.654 11.709 1.00 0.00 H new ATOM 0 HA ASP A 50 95.299 -4.129 13.732 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.717 -4.493 14.070 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.095 -3.001 13.231 1.00 0.00 H new ATOM 762 N ALA A 51 95.983 -1.440 11.950 1.00 0.00 N ATOM 763 CA ALA A 51 95.538 -0.078 11.674 1.00 0.00 C ATOM 764 C ALA A 51 94.025 -0.026 11.494 1.00 0.00 C ATOM 765 O ALA A 51 93.344 0.769 12.138 1.00 0.00 O ATOM 766 CB ALA A 51 96.217 0.442 10.408 1.00 0.00 C ATOM 0 H ALA A 51 96.712 -1.784 11.324 1.00 0.00 H new ATOM 0 HA ALA A 51 95.810 0.549 12.523 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.881 1.459 10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.298 0.438 10.547 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.957 -0.199 9.566 1.00 0.00 H new ATOM 772 N ASN A 52 93.507 -0.869 10.608 1.00 0.00 N ATOM 773 CA ASN A 52 92.072 -0.897 10.348 1.00 0.00 C ATOM 774 C ASN A 52 91.327 -1.563 11.502 1.00 0.00 C ATOM 775 O ASN A 52 90.147 -1.294 11.726 1.00 0.00 O ATOM 776 CB ASN A 52 91.801 -1.653 9.038 1.00 0.00 C ATOM 777 CG ASN A 52 90.699 -0.965 8.234 1.00 0.00 C ATOM 778 OD1 ASN A 52 90.398 0.207 8.460 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.081 -1.628 7.297 1.00 0.00 N ATOM 0 H ASN A 52 94.053 -1.536 10.062 1.00 0.00 H new ATOM 0 HA ASN A 52 91.712 0.128 10.256 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.714 -1.701 8.445 1.00 0.00 H new ATOM 0 HB3 ASN A 52 91.510 -2.680 9.259 1.00 0.00 H new ATOM 0 HD21 ASN A 52 89.348 -1.176 6.751 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.331 -2.599 7.110 1.00 0.00 H new ATOM 786 N LYS A 53 92.024 -2.419 12.236 1.00 0.00 N ATOM 787 CA LYS A 53 91.427 -3.108 13.369 1.00 0.00 C ATOM 788 C LYS A 53 91.504 -2.208 14.594 1.00 0.00 C ATOM 789 O LYS A 53 90.899 -2.484 15.631 1.00 0.00 O ATOM 790 CB LYS A 53 92.167 -4.436 13.607 1.00 0.00 C ATOM 791 CG LYS A 53 92.234 -4.762 15.103 1.00 0.00 C ATOM 792 CD LYS A 53 92.821 -6.164 15.300 1.00 0.00 C ATOM 793 CE LYS A 53 91.856 -7.222 14.747 1.00 0.00 C ATOM 794 NZ LYS A 53 92.021 -8.489 15.514 1.00 0.00 N1+ ATOM 0 H LYS A 53 93.002 -2.652 12.067 1.00 0.00 H new ATOM 0 HA LYS A 53 90.379 -3.333 13.168 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.658 -5.241 13.077 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.176 -4.374 13.198 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.849 -4.024 15.619 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.238 -4.709 15.542 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.783 -6.238 14.794 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.003 -6.345 16.359 1.00 0.00 H new ATOM 0 HE2 LYS A 53 90.828 -6.868 14.824 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.055 -7.395 13.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 91.368 -9.208 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.000 -8.827 15.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 91.810 -8.317 16.518 1.00 0.00 H new ATOM 808 N ASN A 54 92.250 -1.120 14.455 1.00 0.00 N ATOM 809 CA ASN A 54 92.407 -0.166 15.541 1.00 0.00 C ATOM 810 C ASN A 54 91.070 0.490 15.857 1.00 0.00 C ATOM 811 O ASN A 54 90.878 1.061 16.930 1.00 0.00 O ATOM 812 CB ASN A 54 93.423 0.902 15.133 1.00 0.00 C ATOM 813 CG ASN A 54 92.736 2.052 14.399 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.077 3.216 14.612 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.785 1.796 13.544 1.00 0.00 N ATOM 0 H ASN A 54 92.754 -0.878 13.602 1.00 0.00 H new ATOM 0 HA ASN A 54 92.762 -0.688 16.430 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.933 1.282 16.018 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.185 0.459 14.492 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.323 2.560 13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.503 0.832 13.368 1.00 0.00 H new ATOM 822 N LYS A 55 90.155 0.395 14.905 1.00 0.00 N ATOM 823 CA LYS A 55 88.825 0.974 15.068 1.00 0.00 C ATOM 824 C LYS A 55 88.922 2.466 15.365 1.00 0.00 C ATOM 825 O LYS A 55 88.543 2.920 16.444 1.00 0.00 O ATOM 826 CB LYS A 55 88.081 0.273 16.208 1.00 0.00 C ATOM 827 CG LYS A 55 87.647 -1.124 15.751 1.00 0.00 C ATOM 828 CD LYS A 55 86.997 -1.878 16.922 1.00 0.00 C ATOM 829 CE LYS A 55 88.044 -2.739 17.634 1.00 0.00 C ATOM 830 NZ LYS A 55 89.116 -1.864 18.188 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.305 -0.076 14.013 1.00 0.00 H new ATOM 0 HA LYS A 55 88.275 0.834 14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.725 0.197 17.084 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.210 0.858 16.502 1.00 0.00 H new ATOM 0 HG2 LYS A 55 86.943 -1.043 14.923 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.509 -1.680 15.383 1.00 0.00 H new ATOM 0 HD2 LYS A 55 86.559 -1.169 17.624 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.185 -2.506 16.555 1.00 0.00 H new ATOM 0 HE2 LYS A 55 87.576 -3.310 18.436 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.472 -3.460 16.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 89.649 -2.385 18.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 89.760 -1.578 17.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 88.688 -1.018 18.615 1.00 0.00 H new ATOM 844 N GLY A 56 89.437 3.225 14.402 1.00 0.00 N ATOM 845 CA GLY A 56 89.585 4.665 14.578 1.00 0.00 C ATOM 846 C GLY A 56 88.286 5.399 14.265 1.00 0.00 C ATOM 847 O GLY A 56 87.892 6.314 14.989 1.00 0.00 O ATOM 0 H GLY A 56 89.756 2.871 13.500 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.888 4.879 15.603 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.379 5.033 13.928 1.00 0.00 H new ATOM 851 N ILE A 57 87.622 4.997 13.187 1.00 0.00 N ATOM 852 CA ILE A 57 86.366 5.630 12.796 1.00 0.00 C ATOM 853 C ILE A 57 85.428 4.606 12.167 1.00 0.00 C ATOM 854 O ILE A 57 85.828 3.478 11.883 1.00 0.00 O ATOM 855 CB ILE A 57 86.635 6.773 11.812 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.176 6.209 10.490 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.671 7.723 12.417 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.027 5.672 9.625 1.00 0.00 C ATOM 0 H ILE A 57 87.928 4.243 12.573 1.00 0.00 H new ATOM 0 HA ILE A 57 85.889 6.037 13.688 1.00 0.00 H new ATOM 0 HB ILE A 57 85.706 7.309 11.620 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.714 6.987 9.949 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.890 5.411 10.693 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.867 8.539 11.721 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.289 8.129 13.354 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.596 7.179 12.608 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.428 5.276 8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.507 4.879 10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.328 6.480 9.406 1.00 0.00 H new ATOM 870 N THR A 58 84.174 5.002 11.963 1.00 0.00 N ATOM 871 CA THR A 58 83.181 4.101 11.384 1.00 0.00 C ATOM 872 C THR A 58 82.897 4.443 9.924 1.00 0.00 C ATOM 873 O THR A 58 82.816 5.614 9.551 1.00 0.00 O ATOM 874 CB THR A 58 81.882 4.183 12.190 1.00 0.00 C ATOM 875 OG1 THR A 58 82.084 3.602 13.471 1.00 0.00 O ATOM 876 CG2 THR A 58 80.771 3.430 11.456 1.00 0.00 C ATOM 0 H THR A 58 83.823 5.933 12.188 1.00 0.00 H new ATOM 0 HA THR A 58 83.583 3.088 11.422 1.00 0.00 H new ATOM 0 HB THR A 58 81.593 5.228 12.305 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.587 4.112 14.144 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.848 3.491 12.033 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.615 3.877 10.474 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.057 2.385 11.337 1.00 0.00 H new ATOM 884 N TRP A 59 82.729 3.404 9.109 1.00 0.00 N ATOM 885 CA TRP A 59 82.434 3.591 7.693 1.00 0.00 C ATOM 886 C TRP A 59 81.081 4.272 7.527 1.00 0.00 C ATOM 887 O TRP A 59 80.146 4.010 8.281 1.00 0.00 O ATOM 888 CB TRP A 59 82.402 2.243 6.972 1.00 0.00 C ATOM 889 CG TRP A 59 83.744 1.585 7.041 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.000 0.409 7.661 1.00 0.00 C ATOM 891 CD2 TRP A 59 85.011 2.032 6.474 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.342 0.108 7.512 1.00 0.00 N ATOM 893 CE2 TRP A 59 86.007 1.077 6.790 1.00 0.00 C ATOM 894 CE3 TRP A 59 85.388 3.161 5.727 1.00 0.00 C ATOM 895 CZ2 TRP A 59 87.330 1.238 6.378 1.00 0.00 C ATOM 896 CZ3 TRP A 59 86.719 3.325 5.311 1.00 0.00 C ATOM 897 CH2 TRP A 59 87.688 2.365 5.636 1.00 0.00 C ATOM 0 H TRP A 59 82.792 2.430 9.404 1.00 0.00 H new ATOM 0 HA TRP A 59 83.217 4.214 7.261 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.649 1.598 7.426 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.113 2.387 5.931 1.00 0.00 H new ATOM 0 HD1 TRP A 59 83.275 -0.195 8.186 1.00 0.00 H new ATOM 0 HE1 TRP A 59 85.786 -0.729 7.890 1.00 0.00 H new ATOM 0 HE3 TRP A 59 84.650 3.907 5.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 88.072 0.496 6.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 86.998 4.196 4.737 1.00 0.00 H new ATOM 0 HH2 TRP A 59 88.710 2.497 5.313 1.00 0.00 H new ATOM 908 N LYS A 60 80.987 5.143 6.533 1.00 0.00 N ATOM 909 CA LYS A 60 79.749 5.861 6.263 1.00 0.00 C ATOM 910 C LYS A 60 79.731 6.312 4.809 1.00 0.00 C ATOM 911 O LYS A 60 80.478 5.789 3.987 1.00 0.00 O ATOM 912 CB LYS A 60 79.634 7.075 7.190 1.00 0.00 C ATOM 913 CG LYS A 60 79.467 6.603 8.637 1.00 0.00 C ATOM 914 CD LYS A 60 79.017 7.773 9.517 1.00 0.00 C ATOM 915 CE LYS A 60 80.218 8.665 9.833 1.00 0.00 C ATOM 916 NZ LYS A 60 79.808 9.731 10.790 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.753 5.370 5.899 1.00 0.00 H new ATOM 0 HA LYS A 60 78.902 5.200 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.523 7.699 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.783 7.690 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.734 5.798 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.409 6.198 9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.246 8.350 9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.576 7.398 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.025 8.069 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.603 9.113 8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.625 10.338 11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.052 10.306 10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.461 9.295 11.668 1.00 0.00 H new ATOM 930 N GLU A 61 78.881 7.282 4.491 1.00 0.00 N ATOM 931 CA GLU A 61 78.802 7.776 3.124 1.00 0.00 C ATOM 932 C GLU A 61 79.996 8.673 2.812 1.00 0.00 C ATOM 933 O GLU A 61 80.759 8.408 1.883 1.00 0.00 O ATOM 934 CB GLU A 61 77.504 8.563 2.926 1.00 0.00 C ATOM 935 CG GLU A 61 77.257 8.771 1.430 1.00 0.00 C ATOM 936 CD GLU A 61 76.005 9.615 1.220 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.350 9.923 2.202 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.719 9.944 0.080 1.00 0.00 O1- ATOM 0 H GLU A 61 78.247 7.735 5.150 1.00 0.00 H new ATOM 0 HA GLU A 61 78.814 6.922 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.668 8.024 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.569 9.526 3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.117 9.263 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.143 7.807 0.934 1.00 0.00 H new ATOM 945 N GLU A 62 80.156 9.733 3.599 1.00 0.00 N ATOM 946 CA GLU A 62 81.261 10.664 3.394 1.00 0.00 C ATOM 947 C GLU A 62 82.597 10.008 3.726 1.00 0.00 C ATOM 948 O GLU A 62 83.552 10.105 2.957 1.00 0.00 O ATOM 949 CB GLU A 62 81.068 11.903 4.270 1.00 0.00 C ATOM 950 CG GLU A 62 79.730 12.563 3.936 1.00 0.00 C ATOM 951 CD GLU A 62 79.393 13.618 4.984 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.299 14.321 5.400 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 78.235 13.705 5.357 1.00 0.00 O ATOM 0 H GLU A 62 79.541 9.968 4.378 1.00 0.00 H new ATOM 0 HA GLU A 62 81.269 10.955 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.095 11.624 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.884 12.607 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.778 13.022 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.943 11.810 3.900 1.00 0.00 H new ATOM 960 N THR A 63 82.660 9.339 4.871 1.00 0.00 N ATOM 961 CA THR A 63 83.893 8.674 5.278 1.00 0.00 C ATOM 962 C THR A 63 84.411 7.809 4.143 1.00 0.00 C ATOM 963 O THR A 63 85.619 7.701 3.927 1.00 0.00 O ATOM 964 CB THR A 63 83.644 7.799 6.507 1.00 0.00 C ATOM 965 OG1 THR A 63 82.662 6.823 6.201 1.00 0.00 O ATOM 966 CG2 THR A 63 83.158 8.668 7.663 1.00 0.00 C ATOM 0 H THR A 63 81.884 9.243 5.526 1.00 0.00 H new ATOM 0 HA THR A 63 84.633 9.435 5.525 1.00 0.00 H new ATOM 0 HB THR A 63 84.571 7.303 6.793 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.080 6.078 5.720 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.981 8.043 8.538 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.914 9.417 7.899 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.231 9.166 7.379 1.00 0.00 H new ATOM 974 N LEU A 64 83.485 7.202 3.415 1.00 0.00 N ATOM 975 CA LEU A 64 83.853 6.351 2.294 1.00 0.00 C ATOM 976 C LEU A 64 84.443 7.199 1.169 1.00 0.00 C ATOM 977 O LEU A 64 85.367 6.772 0.481 1.00 0.00 O ATOM 978 CB LEU A 64 82.626 5.581 1.783 1.00 0.00 C ATOM 979 CG LEU A 64 82.673 4.121 2.263 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.343 3.427 1.931 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.827 3.378 1.569 1.00 0.00 C ATOM 0 H LEU A 64 82.481 7.282 3.579 1.00 0.00 H new ATOM 0 HA LEU A 64 84.601 5.633 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.714 6.059 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.597 5.612 0.694 1.00 0.00 H new ATOM 0 HG LEU A 64 82.834 4.105 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.378 2.392 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.526 3.947 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.180 3.449 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.854 2.344 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.675 3.396 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.771 3.866 1.811 1.00 0.00 H new ATOM 993 N MET A 65 83.903 8.403 0.984 1.00 0.00 N ATOM 994 CA MET A 65 84.396 9.288 -0.072 1.00 0.00 C ATOM 995 C MET A 65 85.882 9.579 0.105 1.00 0.00 C ATOM 996 O MET A 65 86.684 9.322 -0.793 1.00 0.00 O ATOM 997 CB MET A 65 83.624 10.609 -0.068 1.00 0.00 C ATOM 998 CG MET A 65 82.143 10.338 -0.326 1.00 0.00 C ATOM 999 SD MET A 65 81.201 11.864 -0.079 1.00 0.00 S ATOM 1000 CE MET A 65 80.855 12.203 -1.820 1.00 0.00 C ATOM 0 H MET A 65 83.138 8.784 1.540 1.00 0.00 H new ATOM 0 HA MET A 65 84.245 8.779 -1.024 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.750 11.113 0.890 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.021 11.276 -0.833 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.001 9.970 -1.342 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.781 9.561 0.348 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.271 13.120 -1.903 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.794 12.320 -2.361 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.291 11.374 -2.247 1.00 0.00 H new ATOM 1010 N GLU A 66 86.246 10.116 1.263 1.00 0.00 N ATOM 1011 CA GLU A 66 87.643 10.434 1.534 1.00 0.00 C ATOM 1012 C GLU A 66 88.490 9.170 1.469 1.00 0.00 C ATOM 1013 O GLU A 66 89.671 9.215 1.130 1.00 0.00 O ATOM 1014 CB GLU A 66 87.777 11.075 2.917 1.00 0.00 C ATOM 1015 CG GLU A 66 86.810 12.256 3.028 1.00 0.00 C ATOM 1016 CD GLU A 66 87.157 13.100 4.250 1.00 0.00 C ATOM 1017 OE1 GLU A 66 87.028 12.592 5.352 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.545 14.242 4.066 1.00 0.00 O ATOM 0 H GLU A 66 85.602 10.339 2.022 1.00 0.00 H new ATOM 0 HA GLU A 66 87.994 11.137 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.561 10.340 3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.801 11.414 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.864 12.867 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 66 85.786 11.892 3.106 1.00 0.00 H new ATOM 1025 N TYR A 67 87.872 8.046 1.799 1.00 0.00 N ATOM 1026 CA TYR A 67 88.565 6.765 1.773 1.00 0.00 C ATOM 1027 C TYR A 67 88.678 6.243 0.343 1.00 0.00 C ATOM 1028 O TYR A 67 89.588 5.481 0.017 1.00 0.00 O ATOM 1029 CB TYR A 67 87.803 5.760 2.640 1.00 0.00 C ATOM 1030 CG TYR A 67 88.352 4.367 2.431 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.416 3.907 3.216 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.792 3.536 1.453 1.00 0.00 C ATOM 1033 CE1 TYR A 67 89.921 2.615 3.021 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.296 2.245 1.259 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.361 1.785 2.043 1.00 0.00 C ATOM 1036 OH TYR A 67 89.859 0.512 1.851 1.00 0.00 O ATOM 0 H TYR A 67 86.895 7.994 2.087 1.00 0.00 H new ATOM 0 HA TYR A 67 89.572 6.898 2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.887 6.038 3.691 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.743 5.782 2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.847 4.548 3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 67 86.971 3.891 0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.742 2.259 3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 67 87.864 1.604 0.505 1.00 0.00 H new ATOM 0 HH TYR A 67 89.740 0.252 0.914 1.00 0.00 H new ATOM 1046 N LEU A 68 87.733 6.646 -0.501 1.00 0.00 N ATOM 1047 CA LEU A 68 87.715 6.201 -1.890 1.00 0.00 C ATOM 1048 C LEU A 68 88.761 6.934 -2.734 1.00 0.00 C ATOM 1049 O LEU A 68 89.195 6.424 -3.767 1.00 0.00 O ATOM 1050 CB LEU A 68 86.319 6.427 -2.489 1.00 0.00 C ATOM 1051 CG LEU A 68 85.395 5.249 -2.154 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.011 5.511 -2.734 1.00 0.00 C ATOM 1053 CD2 LEU A 68 85.934 3.956 -2.758 1.00 0.00 C ATOM 0 H LEU A 68 86.973 7.277 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 68 87.958 5.139 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.895 7.352 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.395 6.542 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 68 85.344 5.148 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.353 4.675 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.604 6.426 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.085 5.619 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.265 3.132 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 68 85.996 4.059 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 68 86.926 3.752 -2.355 1.00 0.00 H new ATOM 1065 N GLU A 69 89.163 8.126 -2.301 1.00 0.00 N ATOM 1066 CA GLU A 69 90.158 8.896 -3.049 1.00 0.00 C ATOM 1067 C GLU A 69 91.552 8.663 -2.481 1.00 0.00 C ATOM 1068 O GLU A 69 92.554 9.076 -3.066 1.00 0.00 O ATOM 1069 CB GLU A 69 89.817 10.390 -3.003 1.00 0.00 C ATOM 1070 CG GLU A 69 90.112 10.958 -1.608 1.00 0.00 C ATOM 1071 CD GLU A 69 91.511 11.570 -1.564 1.00 0.00 C ATOM 1072 OE1 GLU A 69 92.280 11.314 -2.475 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 91.791 12.287 -0.617 1.00 0.00 O ATOM 0 H GLU A 69 88.823 8.576 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 69 90.143 8.561 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.399 10.927 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.766 10.538 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.370 11.714 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 69 90.031 10.167 -0.862 1.00 0.00 H new ATOM 1080 N ASN A 70 91.605 7.988 -1.342 1.00 0.00 N ATOM 1081 CA ASN A 70 92.876 7.686 -0.695 1.00 0.00 C ATOM 1082 C ASN A 70 92.676 6.645 0.403 1.00 0.00 C ATOM 1083 O ASN A 70 92.799 6.939 1.591 1.00 0.00 O ATOM 1084 CB ASN A 70 93.487 8.960 -0.105 1.00 0.00 C ATOM 1085 CG ASN A 70 92.590 9.526 0.993 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.707 10.336 0.717 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.767 9.150 2.230 1.00 0.00 N ATOM 0 H ASN A 70 90.785 7.639 -0.846 1.00 0.00 H new ATOM 0 HA ASN A 70 93.559 7.282 -1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.475 8.742 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.622 9.703 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 70 92.173 9.528 2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.499 8.478 2.459 1.00 0.00 H new ATOM 1094 N PRO A 71 92.358 5.441 0.016 1.00 0.00 N ATOM 1095 CA PRO A 71 92.116 4.317 0.967 1.00 0.00 C ATOM 1096 C PRO A 71 93.226 4.156 2.007 1.00 0.00 C ATOM 1097 O PRO A 71 92.954 3.958 3.192 1.00 0.00 O ATOM 1098 CB PRO A 71 92.040 3.083 0.060 1.00 0.00 C ATOM 1099 CG PRO A 71 91.639 3.601 -1.282 1.00 0.00 C ATOM 1100 CD PRO A 71 92.196 5.019 -1.385 1.00 0.00 C ATOM 0 HA PRO A 71 91.215 4.485 1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.001 2.571 0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.313 2.363 0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 71 92.037 2.969 -2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.554 3.602 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.146 5.037 -1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.515 5.677 -1.924 1.00 0.00 H new ATOM 1108 N LYS A 72 94.472 4.214 1.553 1.00 0.00 N ATOM 1109 CA LYS A 72 95.611 4.043 2.451 1.00 0.00 C ATOM 1110 C LYS A 72 95.861 5.287 3.300 1.00 0.00 C ATOM 1111 O LYS A 72 96.059 5.187 4.511 1.00 0.00 O ATOM 1112 CB LYS A 72 96.865 3.727 1.631 1.00 0.00 C ATOM 1113 CG LYS A 72 98.058 3.470 2.563 1.00 0.00 C ATOM 1114 CD LYS A 72 98.036 2.018 3.061 1.00 0.00 C ATOM 1115 CE LYS A 72 98.680 1.099 2.021 1.00 0.00 C ATOM 1116 NZ LYS A 72 100.164 1.171 2.149 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.720 4.377 0.577 1.00 0.00 H new ATOM 0 HA LYS A 72 95.381 3.219 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.688 2.852 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.089 4.558 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.991 3.667 2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.021 4.154 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.571 1.941 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.009 1.705 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 72 98.341 0.073 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.375 1.397 1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 100.601 1.003 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 100.437 2.113 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 100.490 0.447 2.821 1.00 0.00 H new ATOM 1130 N LYS A 73 95.880 6.453 2.666 1.00 0.00 N ATOM 1131 CA LYS A 73 96.143 7.691 3.392 1.00 0.00 C ATOM 1132 C LYS A 73 95.100 7.931 4.485 1.00 0.00 C ATOM 1133 O LYS A 73 95.353 8.671 5.436 1.00 0.00 O ATOM 1134 CB LYS A 73 96.166 8.879 2.422 1.00 0.00 C ATOM 1135 CG LYS A 73 97.184 9.921 2.901 1.00 0.00 C ATOM 1136 CD LYS A 73 97.110 11.169 2.010 1.00 0.00 C ATOM 1137 CE LYS A 73 96.048 12.133 2.549 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.631 12.945 3.655 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.719 6.568 1.665 1.00 0.00 H new ATOM 0 HA LYS A 73 97.118 7.596 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.426 8.537 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.175 9.328 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.982 10.191 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 73 98.189 9.501 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 73 98.081 11.663 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.867 10.882 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.695 12.786 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 73 95.184 11.575 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 95.911 13.600 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.947 12.314 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 97.442 13.488 3.297 1.00 0.00 H new ATOM 1152 N TYR A 74 93.932 7.309 4.351 1.00 0.00 N ATOM 1153 CA TYR A 74 92.878 7.481 5.350 1.00 0.00 C ATOM 1154 C TYR A 74 93.220 6.702 6.617 1.00 0.00 C ATOM 1155 O TYR A 74 93.311 7.275 7.702 1.00 0.00 O ATOM 1156 CB TYR A 74 91.531 7.007 4.785 1.00 0.00 C ATOM 1157 CG TYR A 74 90.406 7.823 5.386 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.341 9.204 5.153 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.428 7.202 6.174 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.301 9.960 5.707 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.389 7.959 6.727 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.325 9.338 6.494 1.00 0.00 C ATOM 1163 OH TYR A 74 87.300 10.084 7.038 1.00 0.00 O ATOM 0 H TYR A 74 93.692 6.691 3.575 1.00 0.00 H new ATOM 0 HA TYR A 74 92.802 8.539 5.600 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.526 7.108 3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.385 5.950 5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 74 91.094 9.685 4.546 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.476 6.138 6.355 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.252 11.024 5.527 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.636 7.479 7.334 1.00 0.00 H new ATOM 0 HH TYR A 74 87.183 10.906 6.518 1.00 0.00 H new ATOM 1173 N ILE A 75 93.425 5.396 6.466 1.00 0.00 N ATOM 1174 CA ILE A 75 93.776 4.543 7.600 1.00 0.00 C ATOM 1175 C ILE A 75 95.067 3.780 7.297 1.00 0.00 C ATOM 1176 O ILE A 75 95.041 2.576 7.044 1.00 0.00 O ATOM 1177 CB ILE A 75 92.643 3.550 7.883 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.354 4.324 8.185 1.00 0.00 C ATOM 1179 CG2 ILE A 75 93.013 2.681 9.091 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.147 3.389 8.067 1.00 0.00 C ATOM 0 H ILE A 75 93.355 4.906 5.574 1.00 0.00 H new ATOM 0 HA ILE A 75 93.927 5.170 8.479 1.00 0.00 H new ATOM 0 HB ILE A 75 92.491 2.912 7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.400 4.748 9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.249 5.158 7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 75 92.207 1.975 9.292 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.931 2.133 8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 75 93.165 3.316 9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.234 3.944 8.283 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.096 2.986 7.055 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.250 2.570 8.779 1.00 0.00 H new ATOM 1192 N PRO A 76 96.185 4.463 7.309 1.00 0.00 N ATOM 1193 CA PRO A 76 97.511 3.845 7.021 1.00 0.00 C ATOM 1194 C PRO A 76 97.673 2.476 7.677 1.00 0.00 C ATOM 1195 O PRO A 76 97.436 2.317 8.874 1.00 0.00 O ATOM 1196 CB PRO A 76 98.502 4.856 7.598 1.00 0.00 C ATOM 1197 CG PRO A 76 97.814 6.178 7.487 1.00 0.00 C ATOM 1198 CD PRO A 76 96.310 5.902 7.602 1.00 0.00 C ATOM 0 HA PRO A 76 97.655 3.655 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.745 4.623 8.635 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.440 4.851 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 76 98.145 6.854 8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 76 98.048 6.658 6.537 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.936 6.140 8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.739 6.504 6.895 1.00 0.00 H new ATOM 1206 N GLY A 77 98.081 1.492 6.879 1.00 0.00 N ATOM 1207 CA GLY A 77 98.275 0.134 7.379 1.00 0.00 C ATOM 1208 C GLY A 77 97.326 -0.837 6.686 1.00 0.00 C ATOM 1209 O GLY A 77 97.665 -2.002 6.469 1.00 0.00 O ATOM 0 H GLY A 77 98.283 1.609 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.306 -0.176 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.105 0.110 8.455 1.00 0.00 H new ATOM 1213 N THR A 78 96.140 -0.352 6.335 1.00 0.00 N ATOM 1214 CA THR A 78 95.154 -1.189 5.661 1.00 0.00 C ATOM 1215 C THR A 78 95.753 -1.796 4.399 1.00 0.00 C ATOM 1216 O THR A 78 96.576 -1.170 3.730 1.00 0.00 O ATOM 1217 CB THR A 78 93.926 -0.358 5.295 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.940 -1.201 4.716 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.329 0.721 4.295 1.00 0.00 C ATOM 0 H THR A 78 95.840 0.608 6.504 1.00 0.00 H new ATOM 0 HA THR A 78 94.858 -1.991 6.337 1.00 0.00 H new ATOM 0 HB THR A 78 93.519 0.110 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.151 -0.669 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.455 1.317 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.086 1.366 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.734 0.253 3.398 1.00 0.00 H new ATOM 1227 N LYS A 79 95.345 -3.020 4.077 1.00 0.00 N ATOM 1228 CA LYS A 79 95.865 -3.695 2.889 1.00 0.00 C ATOM 1229 C LYS A 79 94.944 -3.470 1.690 1.00 0.00 C ATOM 1230 O LYS A 79 94.009 -4.237 1.459 1.00 0.00 O ATOM 1231 CB LYS A 79 96.005 -5.198 3.164 1.00 0.00 C ATOM 1232 CG LYS A 79 97.160 -5.774 2.337 1.00 0.00 C ATOM 1233 CD LYS A 79 96.947 -5.447 0.854 1.00 0.00 C ATOM 1234 CE LYS A 79 97.892 -6.298 -0.008 1.00 0.00 C ATOM 1235 NZ LYS A 79 97.110 -7.365 -0.693 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.665 -3.560 4.613 1.00 0.00 H new ATOM 0 HA LYS A 79 96.844 -3.277 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 79 96.186 -5.367 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.076 -5.710 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 79 98.108 -5.358 2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 79 97.217 -6.853 2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 79 95.911 -5.641 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.132 -4.388 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.395 -5.671 -0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 79 98.668 -6.743 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 97.748 -7.942 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 96.650 -7.969 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 96.385 -6.930 -1.299 1.00 0.00 H new ATOM 1249 N MET A 80 95.220 -2.419 0.926 1.00 0.00 N ATOM 1250 CA MET A 80 94.414 -2.108 -0.253 1.00 0.00 C ATOM 1251 C MET A 80 95.082 -1.023 -1.092 1.00 0.00 C ATOM 1252 O MET A 80 94.921 0.168 -0.826 1.00 0.00 O ATOM 1253 CB MET A 80 93.020 -1.640 0.173 1.00 0.00 C ATOM 1254 CG MET A 80 92.227 -1.208 -1.064 1.00 0.00 C ATOM 1255 SD MET A 80 90.477 -1.031 -0.632 1.00 0.00 S ATOM 1256 CE MET A 80 90.087 0.299 -1.795 1.00 0.00 C ATOM 0 H MET A 80 95.989 -1.771 1.098 1.00 0.00 H new ATOM 0 HA MET A 80 94.325 -3.013 -0.855 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.497 -2.444 0.691 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.102 -0.809 0.874 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.615 -0.264 -1.446 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.343 -1.945 -1.859 1.00 0.00 H new ATOM 0 HE1 MET A 80 90.030 1.246 -1.259 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.866 0.358 -2.555 1.00 0.00 H new ATOM 0 HE3 MET A 80 89.129 0.095 -2.273 1.00 0.00 H new ATOM 1266 N ILE A 81 95.828 -1.445 -2.109 1.00 0.00 N ATOM 1267 CA ILE A 81 96.517 -0.509 -2.994 1.00 0.00 C ATOM 1268 C ILE A 81 96.178 -0.816 -4.451 1.00 0.00 C ATOM 1269 O ILE A 81 96.390 -1.933 -4.924 1.00 0.00 O ATOM 1270 CB ILE A 81 98.033 -0.606 -2.789 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.406 -0.055 -1.405 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.749 0.213 -3.866 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.020 -1.057 -0.307 1.00 0.00 C ATOM 0 H ILE A 81 95.971 -2.428 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 81 96.187 0.502 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 81 98.337 -1.650 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.477 0.145 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.897 0.894 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.827 0.143 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.491 -0.176 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.440 1.256 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.291 -0.651 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 81 96.945 -1.236 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.549 -1.996 -0.469 1.00 0.00 H new ATOM 1285 N PHE A 82 95.651 0.179 -5.157 1.00 0.00 N ATOM 1286 CA PHE A 82 95.287 -0.002 -6.558 1.00 0.00 C ATOM 1287 C PHE A 82 95.173 1.347 -7.264 1.00 0.00 C ATOM 1288 O PHE A 82 96.067 1.744 -8.011 1.00 0.00 O ATOM 1289 CB PHE A 82 93.956 -0.751 -6.657 1.00 0.00 C ATOM 1290 CG PHE A 82 93.537 -0.848 -8.104 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.232 -1.693 -8.978 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.455 -0.093 -8.574 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.845 -1.783 -10.320 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.068 -0.184 -9.916 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.764 -1.029 -10.789 1.00 0.00 C ATOM 0 H PHE A 82 95.468 1.111 -4.786 1.00 0.00 H new ATOM 0 HA PHE A 82 96.069 -0.585 -7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 82 94.056 -1.748 -6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 82 93.191 -0.231 -6.080 1.00 0.00 H new ATOM 0 HD1 PHE A 82 95.067 -2.275 -8.616 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.919 0.560 -7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.381 -2.435 -10.994 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.233 0.397 -10.278 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.466 -1.099 -11.825 1.00 0.00 H new ATOM 1305 N ALA A 83 94.069 2.047 -7.023 1.00 0.00 N ATOM 1306 CA ALA A 83 93.852 3.349 -7.644 1.00 0.00 C ATOM 1307 C ALA A 83 92.660 4.056 -7.007 1.00 0.00 C ATOM 1308 O ALA A 83 91.535 3.558 -7.051 1.00 0.00 O ATOM 1309 CB ALA A 83 93.603 3.178 -9.143 1.00 0.00 C ATOM 0 H ALA A 83 93.317 1.738 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 83 94.744 3.956 -7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.442 4.155 -9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.468 2.701 -9.603 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.721 2.556 -9.297 1.00 0.00 H new ATOM 1315 N GLY A 84 92.914 5.218 -6.414 1.00 0.00 N ATOM 1316 CA GLY A 84 91.854 5.984 -5.772 1.00 0.00 C ATOM 1317 C GLY A 84 90.975 6.675 -6.810 1.00 0.00 C ATOM 1318 O GLY A 84 91.292 6.682 -7.999 1.00 0.00 O ATOM 0 H GLY A 84 93.838 5.647 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.244 5.323 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.290 6.728 -5.106 1.00 0.00 H new ATOM 1322 N ILE A 85 89.871 7.256 -6.351 1.00 0.00 N ATOM 1323 CA ILE A 85 88.953 7.950 -7.251 1.00 0.00 C ATOM 1324 C ILE A 85 89.455 9.364 -7.536 1.00 0.00 C ATOM 1325 O ILE A 85 90.259 9.908 -6.779 1.00 0.00 O ATOM 1326 CB ILE A 85 87.559 8.009 -6.620 1.00 0.00 C ATOM 1327 CG1 ILE A 85 86.966 6.590 -6.536 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.646 8.903 -7.460 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.262 6.223 -7.847 1.00 0.00 C ATOM 0 H ILE A 85 89.591 7.261 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 85 88.901 7.403 -8.192 1.00 0.00 H new ATOM 0 HB ILE A 85 87.638 8.425 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.758 5.870 -6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.259 6.534 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.656 8.941 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.063 9.909 -7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.567 8.497 -8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.849 5.217 -7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.456 6.932 -8.038 1.00 0.00 H new ATOM 0 HD13 ILE A 85 86.979 6.258 -8.667 1.00 0.00 H new ATOM 1341 N LYS A 86 88.990 9.949 -8.637 1.00 0.00 N ATOM 1342 CA LYS A 86 89.413 11.296 -9.017 1.00 0.00 C ATOM 1343 C LYS A 86 88.347 12.337 -8.672 1.00 0.00 C ATOM 1344 O LYS A 86 88.552 13.177 -7.797 1.00 0.00 O ATOM 1345 CB LYS A 86 89.699 11.342 -10.519 1.00 0.00 C ATOM 1346 CG LYS A 86 90.948 10.513 -10.827 1.00 0.00 C ATOM 1347 CD LYS A 86 91.273 10.614 -12.319 1.00 0.00 C ATOM 1348 CE LYS A 86 92.699 10.117 -12.566 1.00 0.00 C ATOM 1349 NZ LYS A 86 92.970 10.098 -14.032 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.325 9.516 -9.278 1.00 0.00 H new ATOM 0 HA LYS A 86 90.317 11.534 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.846 10.953 -11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.846 12.373 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.790 10.872 -10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.784 9.472 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.565 10.021 -12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.173 11.646 -12.655 1.00 0.00 H new ATOM 0 HE2 LYS A 86 93.415 10.766 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.825 9.118 -12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.939 9.760 -14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.295 9.462 -14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.866 11.059 -14.417 1.00 0.00 H new ATOM 1363 N LYS A 87 87.217 12.288 -9.376 1.00 0.00 N ATOM 1364 CA LYS A 87 86.141 13.250 -9.141 1.00 0.00 C ATOM 1365 C LYS A 87 85.277 12.836 -7.953 1.00 0.00 C ATOM 1366 O LYS A 87 85.299 11.682 -7.522 1.00 0.00 O ATOM 1367 CB LYS A 87 85.265 13.366 -10.390 1.00 0.00 C ATOM 1368 CG LYS A 87 86.135 13.711 -11.604 1.00 0.00 C ATOM 1369 CD LYS A 87 86.631 15.158 -11.497 1.00 0.00 C ATOM 1370 CE LYS A 87 87.106 15.638 -12.868 1.00 0.00 C ATOM 1371 NZ LYS A 87 87.658 17.018 -12.747 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.024 11.601 -10.105 1.00 0.00 H new ATOM 0 HA LYS A 87 86.596 14.215 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.738 12.428 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.507 14.136 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.984 13.030 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 87 85.562 13.581 -12.522 1.00 0.00 H new ATOM 0 HD2 LYS A 87 85.831 15.802 -11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 87 87.446 15.222 -10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 87 87.868 14.963 -13.258 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.278 15.627 -13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 87.982 17.345 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 86.919 17.658 -12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 88.459 17.014 -12.084 1.00 0.00 H new ATOM 1385 N LYS A 88 84.510 13.787 -7.428 1.00 0.00 N ATOM 1386 CA LYS A 88 83.638 13.508 -6.296 1.00 0.00 C ATOM 1387 C LYS A 88 82.469 12.633 -6.732 1.00 0.00 C ATOM 1388 O LYS A 88 82.205 11.597 -6.128 1.00 0.00 O ATOM 1389 CB LYS A 88 83.105 14.813 -5.700 1.00 0.00 C ATOM 1390 CG LYS A 88 82.466 14.526 -4.337 1.00 0.00 C ATOM 1391 CD LYS A 88 81.719 15.771 -3.839 1.00 0.00 C ATOM 1392 CE LYS A 88 80.275 15.747 -4.349 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.582 16.999 -3.931 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.475 14.749 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 88 84.218 12.980 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.916 15.533 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.371 15.259 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.777 13.686 -4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.234 14.240 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.729 15.801 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.223 16.673 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.263 15.657 -5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.751 14.878 -3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.601 16.985 -4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.583 17.066 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.078 17.821 -4.331 1.00 0.00 H new ATOM 1407 N THR A 89 81.774 13.056 -7.784 1.00 0.00 N ATOM 1408 CA THR A 89 80.638 12.292 -8.283 1.00 0.00 C ATOM 1409 C THR A 89 81.038 10.842 -8.511 1.00 0.00 C ATOM 1410 O THR A 89 80.204 9.941 -8.442 1.00 0.00 O ATOM 1411 CB THR A 89 80.120 12.889 -9.590 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.190 12.987 -10.520 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.539 14.278 -9.324 1.00 0.00 C ATOM 0 H THR A 89 81.975 13.912 -8.301 1.00 0.00 H new ATOM 0 HA THR A 89 79.845 12.335 -7.536 1.00 0.00 H new ATOM 0 HB THR A 89 79.341 12.247 -10.001 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.859 13.368 -11.360 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.170 14.703 -10.257 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.718 14.199 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.315 14.924 -8.913 1.00 0.00 H new ATOM 1421 N GLU A 90 82.321 10.619 -8.768 1.00 0.00 N ATOM 1422 CA GLU A 90 82.808 9.265 -8.980 1.00 0.00 C ATOM 1423 C GLU A 90 82.721 8.502 -7.667 1.00 0.00 C ATOM 1424 O GLU A 90 82.403 7.313 -7.642 1.00 0.00 O ATOM 1425 CB GLU A 90 84.256 9.288 -9.477 1.00 0.00 C ATOM 1426 CG GLU A 90 84.288 9.654 -10.962 1.00 0.00 C ATOM 1427 CD GLU A 90 85.700 10.065 -11.366 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.571 10.039 -10.513 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.889 10.399 -12.524 1.00 0.00 O ATOM 0 H GLU A 90 83.032 11.347 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 90 82.196 8.774 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.836 10.010 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.719 8.313 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.962 8.804 -11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.592 10.469 -11.159 1.00 0.00 H new ATOM 1436 N ARG A 91 82.988 9.210 -6.574 1.00 0.00 N ATOM 1437 CA ARG A 91 82.920 8.611 -5.248 1.00 0.00 C ATOM 1438 C ARG A 91 81.466 8.479 -4.815 1.00 0.00 C ATOM 1439 O ARG A 91 81.031 7.414 -4.386 1.00 0.00 O ATOM 1440 CB ARG A 91 83.663 9.480 -4.232 1.00 0.00 C ATOM 1441 CG ARG A 91 85.115 9.666 -4.671 1.00 0.00 C ATOM 1442 CD ARG A 91 85.909 10.364 -3.558 1.00 0.00 C ATOM 1443 NE ARG A 91 86.607 11.527 -4.093 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.083 12.476 -3.291 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.945 12.370 -1.998 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.695 13.512 -3.799 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.252 10.195 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 91 83.386 7.626 -5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.174 10.450 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.628 9.014 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.563 8.698 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.155 10.258 -5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.235 10.671 -2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.626 9.669 -3.122 1.00 0.00 H new ATOM 0 HE ARG A 91 86.733 11.615 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.472 11.559 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.311 13.098 -1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.808 13.593 -4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 91 88.060 14.240 -3.185 1.00 0.00 H new ATOM 1460 N GLU A 92 80.719 9.574 -4.932 1.00 0.00 N ATOM 1461 CA GLU A 92 79.314 9.569 -4.550 1.00 0.00 C ATOM 1462 C GLU A 92 78.569 8.492 -5.326 1.00 0.00 C ATOM 1463 O GLU A 92 77.904 7.639 -4.739 1.00 0.00 O ATOM 1464 CB GLU A 92 78.684 10.935 -4.833 1.00 0.00 C ATOM 1465 CG GLU A 92 77.363 11.057 -4.070 1.00 0.00 C ATOM 1466 CD GLU A 92 76.547 12.223 -4.620 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.106 13.010 -5.366 1.00 0.00 O ATOM 1468 OE2 GLU A 92 75.377 12.310 -4.288 1.00 0.00 O1- ATOM 0 H GLU A 92 81.061 10.468 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 92 79.243 9.359 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.365 11.731 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.510 11.052 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.795 10.131 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.559 11.209 -3.009 1.00 0.00 H new ATOM 1475 N ASP A 93 78.694 8.528 -6.650 1.00 0.00 N ATOM 1476 CA ASP A 93 78.037 7.536 -7.490 1.00 0.00 C ATOM 1477 C ASP A 93 78.490 6.137 -7.093 1.00 0.00 C ATOM 1478 O ASP A 93 77.670 5.247 -6.868 1.00 0.00 O ATOM 1479 CB ASP A 93 78.373 7.788 -8.962 1.00 0.00 C ATOM 1480 CG ASP A 93 77.783 9.120 -9.412 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.141 9.766 -8.600 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.983 9.475 -10.562 1.00 0.00 O1- ATOM 0 H ASP A 93 79.238 9.225 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 93 76.959 7.617 -7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.454 7.795 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.978 6.980 -9.577 1.00 0.00 H new ATOM 1487 N LEU A 94 79.805 5.953 -6.998 1.00 0.00 N ATOM 1488 CA LEU A 94 80.361 4.659 -6.615 1.00 0.00 C ATOM 1489 C LEU A 94 79.812 4.233 -5.264 1.00 0.00 C ATOM 1490 O LEU A 94 79.585 3.049 -5.017 1.00 0.00 O ATOM 1491 CB LEU A 94 81.888 4.748 -6.520 1.00 0.00 C ATOM 1492 CG LEU A 94 82.458 3.418 -6.014 1.00 0.00 C ATOM 1493 CD1 LEU A 94 81.999 2.287 -6.930 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.990 3.483 -6.002 1.00 0.00 C ATOM 0 H LEU A 94 80.500 6.677 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 94 80.081 3.928 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.309 4.986 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.173 5.556 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 94 82.100 3.233 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.404 1.341 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.910 2.239 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.355 2.473 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.392 2.536 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.354 3.671 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.315 4.289 -5.344 1.00 0.00 H new ATOM 1506 N ILE A 95 79.619 5.209 -4.390 1.00 0.00 N ATOM 1507 CA ILE A 95 79.116 4.931 -3.057 1.00 0.00 C ATOM 1508 C ILE A 95 77.620 4.661 -3.100 1.00 0.00 C ATOM 1509 O ILE A 95 77.093 3.903 -2.285 1.00 0.00 O ATOM 1510 CB ILE A 95 79.436 6.102 -2.125 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.929 6.037 -1.776 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.589 6.001 -0.847 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.459 7.423 -1.412 1.00 0.00 C ATOM 0 H ILE A 95 79.802 6.194 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 95 79.607 4.038 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 95 79.206 7.049 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.083 5.353 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.489 5.639 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.822 6.838 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.531 6.029 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.812 5.064 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.519 7.355 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.324 8.098 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 95 80.912 7.807 -0.551 1.00 0.00 H new ATOM 1525 N ALA A 96 76.944 5.264 -4.068 1.00 0.00 N ATOM 1526 CA ALA A 96 75.516 5.055 -4.216 1.00 0.00 C ATOM 1527 C ALA A 96 75.256 3.594 -4.556 1.00 0.00 C ATOM 1528 O ALA A 96 74.266 3.004 -4.118 1.00 0.00 O ATOM 1529 CB ALA A 96 74.968 5.956 -5.321 1.00 0.00 C ATOM 0 H ALA A 96 77.358 5.895 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 96 75.013 5.305 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.895 5.793 -5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.153 6.999 -5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.464 5.720 -6.262 1.00 0.00 H new ATOM 1535 N TYR A 97 76.170 3.011 -5.325 1.00 0.00 N ATOM 1536 CA TYR A 97 76.050 1.613 -5.706 1.00 0.00 C ATOM 1537 C TYR A 97 76.457 0.723 -4.536 1.00 0.00 C ATOM 1538 O TYR A 97 75.784 -0.258 -4.232 1.00 0.00 O ATOM 1539 CB TYR A 97 76.933 1.310 -6.920 1.00 0.00 C ATOM 1540 CG TYR A 97 77.000 -0.186 -7.135 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.948 -0.851 -7.776 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.113 -0.908 -6.687 1.00 0.00 C ATOM 1543 CE1 TYR A 97 76.010 -2.237 -7.969 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.175 -2.291 -6.881 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.123 -2.957 -7.522 1.00 0.00 C ATOM 1546 OH TYR A 97 77.184 -4.323 -7.712 1.00 0.00 O ATOM 0 H TYR A 97 76.996 3.483 -5.693 1.00 0.00 H new ATOM 0 HA TYR A 97 75.012 1.411 -5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.529 1.798 -7.807 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.935 1.711 -6.764 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.089 -0.295 -8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.924 -0.396 -6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.198 -2.750 -8.463 1.00 0.00 H new ATOM 0 HE2 TYR A 97 79.035 -2.846 -6.536 1.00 0.00 H new ATOM 0 HH TYR A 97 78.108 -4.585 -7.906 1.00 0.00 H new ATOM 1556 N LEU A 98 77.560 1.075 -3.877 1.00 0.00 N ATOM 1557 CA LEU A 98 78.031 0.300 -2.737 1.00 0.00 C ATOM 1558 C LEU A 98 76.925 0.194 -1.688 1.00 0.00 C ATOM 1559 O LEU A 98 76.920 -0.724 -0.871 1.00 0.00 O ATOM 1560 CB LEU A 98 79.267 0.971 -2.116 1.00 0.00 C ATOM 1561 CG LEU A 98 80.537 0.544 -2.871 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.657 1.568 -2.660 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.010 -0.808 -2.338 1.00 0.00 C ATOM 0 H LEU A 98 78.137 1.883 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 98 78.301 -0.699 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.159 2.055 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.350 0.696 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 98 80.304 0.477 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.548 1.250 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.335 2.541 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.886 1.643 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.910 -1.114 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.229 -0.723 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.228 -1.552 -2.489 1.00 0.00 H new ATOM 1575 N LYS A 99 75.994 1.143 -1.717 1.00 0.00 N ATOM 1576 CA LYS A 99 74.890 1.150 -0.761 1.00 0.00 C ATOM 1577 C LYS A 99 73.804 0.160 -1.176 1.00 0.00 C ATOM 1578 O LYS A 99 73.401 -0.696 -0.389 1.00 0.00 O ATOM 1579 CB LYS A 99 74.291 2.559 -0.661 1.00 0.00 C ATOM 1580 CG LYS A 99 75.139 3.419 0.285 1.00 0.00 C ATOM 1581 CD LYS A 99 74.394 4.717 0.613 1.00 0.00 C ATOM 1582 CE LYS A 99 74.392 5.637 -0.608 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.952 7.001 -0.200 1.00 0.00 N1+ ATOM 0 H LYS A 99 75.981 1.912 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 99 75.280 0.850 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.253 3.019 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.266 2.503 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.350 2.868 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.099 3.647 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.370 4.493 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.871 5.217 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.389 5.680 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.725 5.242 -1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.950 7.628 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 72.993 6.952 0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.606 7.377 0.516 1.00 0.00 H new ATOM 1597 N LYS A 100 73.332 0.284 -2.411 1.00 0.00 N ATOM 1598 CA LYS A 100 72.286 -0.605 -2.911 1.00 0.00 C ATOM 1599 C LYS A 100 72.850 -1.993 -3.198 1.00 0.00 C ATOM 1600 O LYS A 100 72.105 -2.969 -3.300 1.00 0.00 O ATOM 1601 CB LYS A 100 71.676 -0.026 -4.187 1.00 0.00 C ATOM 1602 CG LYS A 100 70.799 1.177 -3.833 1.00 0.00 C ATOM 1603 CD LYS A 100 70.320 1.860 -5.117 1.00 0.00 C ATOM 1604 CE LYS A 100 69.471 0.883 -5.935 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.559 1.650 -6.831 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.652 0.984 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 100 71.515 -0.692 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.465 0.276 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.082 -0.785 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 100 69.943 0.854 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.362 1.883 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 100 69.736 2.747 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 100 71.176 2.193 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 100 70.115 0.231 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 100 68.892 0.243 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 68.224 1.032 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 67.745 1.996 -6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 69.071 2.459 -7.238 1.00 0.00 H new ATOM 1619 N ALA A 101 74.169 -2.073 -3.331 1.00 0.00 N ATOM 1620 CA ALA A 101 74.828 -3.343 -3.609 1.00 0.00 C ATOM 1621 C ALA A 101 75.118 -4.091 -2.315 1.00 0.00 C ATOM 1622 O ALA A 101 75.125 -5.322 -2.285 1.00 0.00 O ATOM 1623 CB ALA A 101 76.137 -3.097 -4.360 1.00 0.00 C ATOM 0 H ALA A 101 74.801 -1.276 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 101 74.162 -3.949 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.624 -4.051 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.927 -2.588 -5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.795 -2.477 -3.751 1.00 0.00 H new ATOM 1629 N THR A 102 75.356 -3.339 -1.245 1.00 0.00 N ATOM 1630 CA THR A 102 75.647 -3.943 0.051 1.00 0.00 C ATOM 1631 C THR A 102 74.354 -4.170 0.819 1.00 0.00 C ATOM 1632 O THR A 102 74.341 -4.820 1.865 1.00 0.00 O ATOM 1633 CB THR A 102 76.572 -3.027 0.855 1.00 0.00 C ATOM 1634 OG1 THR A 102 75.982 -1.740 0.966 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.922 -2.918 0.145 1.00 0.00 C ATOM 0 H THR A 102 75.353 -2.319 -1.248 1.00 0.00 H new ATOM 0 HA THR A 102 76.141 -4.902 -0.107 1.00 0.00 H new ATOM 0 HB THR A 102 76.722 -3.441 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.443 -1.116 0.367 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.582 -2.266 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.371 -3.908 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.776 -2.503 -0.852 1.00 0.00 H new ATOM 1643 N ASN A 103 73.269 -3.628 0.283 1.00 0.00 N ATOM 1644 CA ASN A 103 71.961 -3.766 0.907 1.00 0.00 C ATOM 1645 C ASN A 103 71.286 -5.051 0.436 1.00 0.00 C ATOM 1646 O ASN A 103 70.444 -5.616 1.135 1.00 0.00 O ATOM 1647 CB ASN A 103 71.092 -2.562 0.544 1.00 0.00 C ATOM 1648 CG ASN A 103 71.432 -1.380 1.442 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.596 -0.504 1.662 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.617 -1.303 1.976 1.00 0.00 N ATOM 0 H ASN A 103 73.269 -3.089 -0.583 1.00 0.00 H new ATOM 0 HA ASN A 103 72.086 -3.811 1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.249 -2.292 -0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.038 -2.819 0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 103 72.855 -0.515 2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.308 -2.031 1.792 1.00 0.00 H new ATOM 1657 N GLU A 104 71.664 -5.507 -0.755 1.00 0.00 N ATOM 1658 CA GLU A 104 71.092 -6.725 -1.316 1.00 0.00 C ATOM 1659 C GLU A 104 70.960 -7.804 -0.244 1.00 0.00 C ATOM 1660 O GLU A 104 70.010 -8.566 -0.313 1.00 0.00 O ATOM 1661 CB GLU A 104 71.977 -7.241 -2.454 1.00 0.00 C ATOM 1662 CG GLU A 104 71.808 -6.342 -3.681 1.00 0.00 C ATOM 1663 CD GLU A 104 72.705 -6.830 -4.812 1.00 0.00 C ATOM 1664 OE1 GLU A 104 73.147 -7.966 -4.743 1.00 0.00 O ATOM 1665 OE2 GLU A 104 72.937 -6.062 -5.731 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 71.810 -7.849 0.629 1.00 0.00 O ATOM 0 H GLU A 104 72.360 -5.054 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 104 70.100 -6.491 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 104 73.021 -7.253 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 104 71.707 -8.267 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.767 -6.346 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 104 72.059 -5.313 -3.425 1.00 0.00 H new