USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=29 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 -76:sc= 0.714 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -0.463 F(o=-3!,f=0.25) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.554 K(o=-0.55,f=-3.7!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 31 ASN : amide:sc= -2.81! C(o=-8.7!,f=-19!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -5.92! C(o=-8.7!,f=-16!) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 0.00157 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.45) USER MOD Single : A 12 GLN : amide:sc= -1.98! C(o=-2!,f=-3.4!) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -2.67! (180deg=-3.29!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0519 USER MOD Single : A 16 GLN : amide:sc= 0.653 K(o=0.65,f=-0.012!) USER MOD Single : A 17 CYS SG : rot 180:sc=-0.00933 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.49 F(o=-2.3!,f=-1.5) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.146) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.887 K(o=0.89,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.046 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 88:sc= -0.885 USER MOD Single : A 42 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.5) USER MOD Single : A 47 THR OG1 : rot 34:sc= 0.143 USER MOD Single : A 48 TYR OH : rot 15:sc= -0.641 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.385 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.26! C(o=-9.7!,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= -0.204 (180deg=-0.801) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 80:sc= -2.79! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -138:sc= 0.672 USER MOD Single : A 70 ASN :FLIP amide:sc= -2.84 F(o=-8.3!,f=-2.8) USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= -3.5! (180deg=-6.16!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : 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 151:sc= 0 (180deg=-0.0639) USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= -0.0941 (180deg=-0.75) 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 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -117:sc= 0.07 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.510 8.329 -8.717 1.00 0.00 N ATOM 11 CA ASP A 2 74.047 7.571 -9.876 1.00 0.00 C ATOM 12 C ASP A 2 74.388 6.096 -9.725 1.00 0.00 C ATOM 13 O ASP A 2 75.411 5.632 -10.222 1.00 0.00 O ATOM 14 CB ASP A 2 74.694 8.114 -11.149 1.00 0.00 C ATOM 15 CG ASP A 2 74.168 9.514 -11.447 1.00 0.00 C ATOM 16 OD1 ASP A 2 74.291 10.368 -10.584 1.00 0.00 O ATOM 17 OD2 ASP A 2 73.649 9.712 -12.534 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.964 7.678 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.777 8.141 -11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.480 7.450 -11.987 1.00 0.00 H new ATOM 22 N VAL A 3 73.517 5.365 -9.041 1.00 0.00 N ATOM 23 CA VAL A 3 73.728 3.940 -8.835 1.00 0.00 C ATOM 24 C VAL A 3 74.088 3.261 -10.152 1.00 0.00 C ATOM 25 O VAL A 3 74.646 2.164 -10.165 1.00 0.00 O ATOM 26 CB VAL A 3 72.458 3.310 -8.257 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.263 3.668 -9.142 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.617 1.789 -8.206 1.00 0.00 C ATOM 0 H VAL A 3 72.663 5.733 -8.622 1.00 0.00 H new ATOM 0 HA VAL A 3 74.552 3.803 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 3 72.292 3.691 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.359 3.220 -8.731 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.148 4.751 -9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.430 3.288 -10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.712 1.342 -7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.785 1.407 -9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.468 1.533 -7.574 1.00 0.00 H new ATOM 38 N GLU A 4 73.761 3.920 -11.260 1.00 0.00 N ATOM 39 CA GLU A 4 74.055 3.363 -12.576 1.00 0.00 C ATOM 40 C GLU A 4 75.545 3.466 -12.886 1.00 0.00 C ATOM 41 O GLU A 4 76.211 2.457 -13.121 1.00 0.00 O ATOM 42 CB GLU A 4 73.256 4.106 -13.650 1.00 0.00 C ATOM 43 CG GLU A 4 71.761 3.945 -13.375 1.00 0.00 C ATOM 44 CD GLU A 4 70.953 4.527 -14.530 1.00 0.00 C ATOM 45 OE1 GLU A 4 70.773 3.827 -15.513 1.00 0.00 O ATOM 46 OE2 GLU A 4 70.527 5.663 -14.416 1.00 0.00 O1- ATOM 0 H GLU A 4 73.298 4.829 -11.274 1.00 0.00 H new ATOM 0 HA GLU A 4 73.770 2.311 -12.573 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.525 5.162 -13.653 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.500 3.713 -14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.518 2.890 -13.245 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.497 4.449 -12.445 1.00 0.00 H new ATOM 53 N LYS A 5 76.064 4.687 -12.876 1.00 0.00 N ATOM 54 CA LYS A 5 77.478 4.898 -13.151 1.00 0.00 C ATOM 55 C LYS A 5 78.312 4.400 -11.983 1.00 0.00 C ATOM 56 O LYS A 5 79.504 4.131 -12.126 1.00 0.00 O ATOM 57 CB LYS A 5 77.754 6.382 -13.397 1.00 0.00 C ATOM 58 CG LYS A 5 77.183 6.788 -14.758 1.00 0.00 C ATOM 59 CD LYS A 5 77.305 8.305 -14.938 1.00 0.00 C ATOM 60 CE LYS A 5 76.326 9.028 -14.004 1.00 0.00 C ATOM 61 NZ LYS A 5 75.975 10.354 -14.585 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.534 5.537 -12.683 1.00 0.00 H new ATOM 0 HA LYS A 5 77.750 4.339 -14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.303 6.983 -12.607 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.827 6.573 -13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.718 6.273 -15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.138 6.487 -14.829 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.325 8.623 -14.725 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.097 8.574 -15.974 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.426 8.428 -13.868 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.774 9.157 -13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.107 10.710 -14.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.752 11.024 -14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.821 10.255 -15.609 1.00 0.00 H new ATOM 75 N GLY A 6 77.669 4.254 -10.831 1.00 0.00 N ATOM 76 CA GLY A 6 78.358 3.758 -9.652 1.00 0.00 C ATOM 77 C GLY A 6 78.664 2.284 -9.840 1.00 0.00 C ATOM 78 O GLY A 6 79.726 1.796 -9.453 1.00 0.00 O ATOM 0 H GLY A 6 76.682 4.470 -10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.280 4.316 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.740 3.904 -8.766 1.00 0.00 H new ATOM 82 N LYS A 7 77.722 1.585 -10.464 1.00 0.00 N ATOM 83 CA LYS A 7 77.886 0.168 -10.735 1.00 0.00 C ATOM 84 C LYS A 7 79.009 -0.035 -11.746 1.00 0.00 C ATOM 85 O LYS A 7 79.826 -0.940 -11.603 1.00 0.00 O ATOM 86 CB LYS A 7 76.582 -0.412 -11.287 1.00 0.00 C ATOM 87 CG LYS A 7 76.731 -1.924 -11.485 1.00 0.00 C ATOM 88 CD LYS A 7 75.470 -2.485 -12.156 1.00 0.00 C ATOM 89 CE LYS A 7 75.612 -2.408 -13.679 1.00 0.00 C ATOM 90 NZ LYS A 7 74.263 -2.478 -14.308 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.839 1.979 -10.790 1.00 0.00 H new ATOM 0 HA LYS A 7 78.139 -0.346 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.761 -0.205 -10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.333 0.066 -12.235 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.606 -2.135 -12.099 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.891 -2.412 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.313 -3.519 -11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.595 -1.921 -11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.109 -1.480 -13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.236 -3.226 -14.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.359 -2.426 -15.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 73.805 -3.375 -14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 73.682 -1.683 -13.974 1.00 0.00 H new ATOM 104 N LYS A 8 79.042 0.818 -12.768 1.00 0.00 N ATOM 105 CA LYS A 8 80.073 0.719 -13.795 1.00 0.00 C ATOM 106 C LYS A 8 81.464 0.856 -13.179 1.00 0.00 C ATOM 107 O LYS A 8 82.366 0.062 -13.463 1.00 0.00 O ATOM 108 CB LYS A 8 79.864 1.814 -14.847 1.00 0.00 C ATOM 109 CG LYS A 8 81.017 1.791 -15.864 1.00 0.00 C ATOM 110 CD LYS A 8 82.015 2.915 -15.553 1.00 0.00 C ATOM 111 CE LYS A 8 81.484 4.248 -16.096 1.00 0.00 C ATOM 112 NZ LYS A 8 82.015 5.367 -15.266 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.374 1.577 -12.905 1.00 0.00 H new ATOM 0 HA LYS A 8 79.997 -0.260 -14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 8 78.914 1.662 -15.359 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.813 2.790 -14.364 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.522 0.826 -15.831 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.624 1.911 -16.874 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.172 2.987 -14.477 1.00 0.00 H new ATOM 0 HD3 LYS A 8 82.982 2.689 -16.001 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.786 4.376 -17.135 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.394 4.252 -16.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 81.952 6.257 -15.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 81.456 5.447 -14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.009 5.179 -15.024 1.00 0.00 H new ATOM 126 N ILE A 9 81.634 1.870 -12.337 1.00 0.00 N ATOM 127 CA ILE A 9 82.917 2.110 -11.692 1.00 0.00 C ATOM 128 C ILE A 9 83.255 0.987 -10.718 1.00 0.00 C ATOM 129 O ILE A 9 84.418 0.780 -10.375 1.00 0.00 O ATOM 130 CB ILE A 9 82.874 3.437 -10.934 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.594 4.578 -11.915 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.219 3.675 -10.249 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.189 5.832 -11.137 1.00 0.00 C ATOM 0 H ILE A 9 80.902 2.535 -12.087 1.00 0.00 H new ATOM 0 HA ILE A 9 83.685 2.147 -12.465 1.00 0.00 H new ATOM 0 HB ILE A 9 82.084 3.401 -10.184 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.480 4.781 -12.516 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.800 4.292 -12.604 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.190 4.621 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.420 2.863 -9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.008 3.711 -11.000 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.990 6.645 -11.835 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.291 5.625 -10.555 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.998 6.121 -10.466 1.00 0.00 H new ATOM 145 N PHE A 10 82.234 0.276 -10.262 1.00 0.00 N ATOM 146 CA PHE A 10 82.442 -0.810 -9.309 1.00 0.00 C ATOM 147 C PHE A 10 82.879 -2.100 -10.010 1.00 0.00 C ATOM 148 O PHE A 10 83.878 -2.709 -9.629 1.00 0.00 O ATOM 149 CB PHE A 10 81.147 -1.067 -8.526 1.00 0.00 C ATOM 150 CG PHE A 10 81.134 -2.492 -8.025 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.626 -3.511 -8.838 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.645 -2.796 -6.760 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.631 -4.835 -8.388 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.647 -4.121 -6.308 1.00 0.00 C ATOM 155 CZ PHE A 10 81.142 -5.141 -7.123 1.00 0.00 C ATOM 0 H PHE A 10 81.262 0.427 -10.532 1.00 0.00 H new ATOM 0 HA PHE A 10 83.238 -0.509 -8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 10 81.074 -0.375 -7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.282 -0.887 -9.164 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.229 -3.275 -9.814 1.00 0.00 H new ATOM 0 HD2 PHE A 10 82.038 -2.010 -6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.240 -5.621 -9.017 1.00 0.00 H new ATOM 0 HE2 PHE A 10 82.039 -4.356 -5.329 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.147 -6.163 -6.775 1.00 0.00 H new ATOM 165 N VAL A 11 82.118 -2.520 -11.017 1.00 0.00 N ATOM 166 CA VAL A 11 82.427 -3.754 -11.740 1.00 0.00 C ATOM 167 C VAL A 11 83.840 -3.733 -12.294 1.00 0.00 C ATOM 168 O VAL A 11 84.473 -4.776 -12.446 1.00 0.00 O ATOM 169 CB VAL A 11 81.449 -3.953 -12.898 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.035 -4.136 -12.352 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.487 -2.730 -13.812 1.00 0.00 C ATOM 0 H VAL A 11 81.288 -2.029 -11.351 1.00 0.00 H new ATOM 0 HA VAL A 11 82.337 -4.576 -11.030 1.00 0.00 H new ATOM 0 HB VAL A 11 81.735 -4.840 -13.463 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.341 -4.278 -13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.007 -5.010 -11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.747 -3.251 -11.784 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.790 -2.871 -14.638 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.203 -1.843 -13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.495 -2.601 -14.206 1.00 0.00 H new ATOM 181 N GLN A 12 84.321 -2.547 -12.628 1.00 0.00 N ATOM 182 CA GLN A 12 85.656 -2.422 -13.200 1.00 0.00 C ATOM 183 C GLN A 12 86.712 -2.087 -12.148 1.00 0.00 C ATOM 184 O GLN A 12 87.895 -2.365 -12.348 1.00 0.00 O ATOM 185 CB GLN A 12 85.653 -1.337 -14.274 1.00 0.00 C ATOM 186 CG GLN A 12 85.463 0.035 -13.626 1.00 0.00 C ATOM 187 CD GLN A 12 85.210 1.074 -14.710 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.925 2.233 -14.409 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.303 0.724 -15.963 1.00 0.00 N ATOM 0 H GLN A 12 83.817 -1.667 -12.516 1.00 0.00 H new ATOM 0 HA GLN A 12 85.915 -3.388 -13.632 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.591 -1.360 -14.829 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.853 -1.524 -14.991 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.625 0.008 -12.930 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.348 0.303 -13.049 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.539 -0.238 -16.208 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.139 1.412 -16.698 1.00 0.00 H new ATOM 198 N LYS A 13 86.302 -1.457 -11.049 1.00 0.00 N ATOM 199 CA LYS A 13 87.266 -1.061 -10.017 1.00 0.00 C ATOM 200 C LYS A 13 87.289 -1.988 -8.793 1.00 0.00 C ATOM 201 O LYS A 13 88.314 -2.603 -8.504 1.00 0.00 O ATOM 202 CB LYS A 13 86.973 0.374 -9.566 1.00 0.00 C ATOM 203 CG LYS A 13 88.237 0.999 -8.965 1.00 0.00 C ATOM 204 CD LYS A 13 88.022 2.505 -8.760 1.00 0.00 C ATOM 205 CE LYS A 13 88.412 3.262 -10.033 1.00 0.00 C ATOM 206 NZ LYS A 13 88.164 4.718 -9.840 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.332 -1.213 -10.849 1.00 0.00 H new ATOM 0 HA LYS A 13 88.252 -1.135 -10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.630 0.968 -10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.170 0.376 -8.829 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.473 0.523 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.087 0.830 -9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.979 2.703 -8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.620 2.856 -7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.463 3.089 -10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.834 2.893 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.708 5.259 -10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.150 4.916 -9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.461 4.997 -8.883 1.00 0.00 H new ATOM 220 N CYS A 14 86.189 -2.038 -8.040 1.00 0.00 N ATOM 221 CA CYS A 14 86.153 -2.843 -6.810 1.00 0.00 C ATOM 222 C CYS A 14 85.887 -4.329 -7.050 1.00 0.00 C ATOM 223 O CYS A 14 86.435 -5.174 -6.343 1.00 0.00 O ATOM 224 CB CYS A 14 85.095 -2.286 -5.853 1.00 0.00 C ATOM 225 SG CYS A 14 85.000 -0.480 -6.009 1.00 0.00 S ATOM 0 H CYS A 14 85.324 -1.541 -8.252 1.00 0.00 H new ATOM 0 HA CYS A 14 87.149 -2.771 -6.373 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.124 -2.729 -6.074 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.343 -2.557 -4.827 1.00 0.00 H new ATOM 0 HG CYS A 14 84.097 -0.021 -5.194 1.00 0.00 H new ATOM 230 N ALA A 15 85.048 -4.658 -8.019 1.00 0.00 N ATOM 231 CA ALA A 15 84.740 -6.061 -8.278 1.00 0.00 C ATOM 232 C ALA A 15 86.021 -6.889 -8.337 1.00 0.00 C ATOM 233 O ALA A 15 86.012 -8.087 -8.053 1.00 0.00 O ATOM 234 CB ALA A 15 83.975 -6.195 -9.595 1.00 0.00 C ATOM 0 H ALA A 15 84.575 -3.991 -8.629 1.00 0.00 H new ATOM 0 HA ALA A 15 84.120 -6.434 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.750 -7.245 -9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 15 83.045 -5.630 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.584 -5.806 -10.411 1.00 0.00 H new ATOM 240 N GLN A 16 87.120 -6.241 -8.705 1.00 0.00 N ATOM 241 CA GLN A 16 88.406 -6.925 -8.801 1.00 0.00 C ATOM 242 C GLN A 16 88.674 -7.780 -7.562 1.00 0.00 C ATOM 243 O GLN A 16 88.849 -8.994 -7.669 1.00 0.00 O ATOM 244 CB GLN A 16 89.528 -5.900 -8.966 1.00 0.00 C ATOM 245 CG GLN A 16 89.510 -5.344 -10.392 1.00 0.00 C ATOM 246 CD GLN A 16 90.531 -4.220 -10.527 1.00 0.00 C ATOM 247 OE1 GLN A 16 91.435 -4.099 -9.701 1.00 0.00 O ATOM 248 NE2 GLN A 16 90.438 -3.384 -11.525 1.00 0.00 N ATOM 0 H GLN A 16 87.148 -5.249 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 16 88.374 -7.581 -9.671 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.403 -5.090 -8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.492 -6.364 -8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.735 -6.138 -11.104 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.514 -4.973 -10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 16 89.688 -3.487 -12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 16 91.116 -2.628 -11.622 1.00 0.00 H new ATOM 257 N CYS A 17 88.723 -7.144 -6.390 1.00 0.00 N ATOM 258 CA CYS A 17 88.991 -7.871 -5.147 1.00 0.00 C ATOM 259 C CYS A 17 87.895 -7.623 -4.104 1.00 0.00 C ATOM 260 O CYS A 17 88.187 -7.273 -2.960 1.00 0.00 O ATOM 261 CB CYS A 17 90.357 -7.447 -4.572 1.00 0.00 C ATOM 262 SG CYS A 17 91.373 -6.697 -5.876 1.00 0.00 S ATOM 0 H CYS A 17 88.583 -6.140 -6.275 1.00 0.00 H new ATOM 0 HA CYS A 17 89.004 -8.936 -5.381 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.214 -6.737 -3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.869 -8.313 -4.153 1.00 0.00 H new ATOM 0 HG CYS A 17 92.521 -6.341 -5.381 1.00 0.00 H new ATOM 267 N HIS A 18 86.636 -7.815 -4.494 1.00 0.00 N ATOM 268 CA HIS A 18 85.526 -7.614 -3.560 1.00 0.00 C ATOM 269 C HIS A 18 84.293 -8.408 -3.992 1.00 0.00 C ATOM 270 O HIS A 18 84.335 -9.164 -4.962 1.00 0.00 O ATOM 271 CB HIS A 18 85.169 -6.126 -3.467 1.00 0.00 C ATOM 272 CG HIS A 18 86.103 -5.435 -2.510 1.00 0.00 C ATOM 273 ND1 HIS A 18 87.272 -4.751 -2.711 1.00 0.00 N flip ATOM 274 CD2 HIS A 18 85.867 -5.386 -1.146 1.00 0.00 C flip ATOM 275 CE1 HIS A 18 87.759 -4.277 -1.496 1.00 0.00 C flip ATOM 276 NE2 HIS A 18 86.873 -4.690 -0.585 1.00 0.00 N flip ATOM 0 H HIS A 18 86.360 -8.104 -5.432 1.00 0.00 H new ATOM 0 HA HIS A 18 85.846 -7.971 -2.581 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.237 -5.664 -4.452 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.139 -6.010 -3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 18 85.028 -5.826 -0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.657 -3.701 -1.327 1.00 0.00 H new ATOM 0 HE2 HIS A 18 86.950 -4.501 0.414 1.00 0.00 H new ATOM 284 N THR A 19 83.198 -8.227 -3.254 1.00 0.00 N ATOM 285 CA THR A 19 81.949 -8.928 -3.552 1.00 0.00 C ATOM 286 C THR A 19 80.752 -7.998 -3.341 1.00 0.00 C ATOM 287 O THR A 19 79.790 -8.021 -4.108 1.00 0.00 O ATOM 288 CB THR A 19 81.821 -10.160 -2.641 1.00 0.00 C ATOM 289 OG1 THR A 19 82.929 -10.202 -1.753 1.00 0.00 O ATOM 290 CG2 THR A 19 81.805 -11.437 -3.485 1.00 0.00 C ATOM 0 H THR A 19 83.150 -7.603 -2.448 1.00 0.00 H new ATOM 0 HA THR A 19 81.962 -9.247 -4.594 1.00 0.00 H new ATOM 0 HB THR A 19 80.892 -10.092 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.851 -10.985 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.714 -12.304 -2.831 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.958 -11.409 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.731 -11.508 -4.055 1.00 0.00 H new ATOM 298 N VAL A 20 80.825 -7.182 -2.292 1.00 0.00 N ATOM 299 CA VAL A 20 79.756 -6.240 -1.970 1.00 0.00 C ATOM 300 C VAL A 20 78.378 -6.855 -2.197 1.00 0.00 C ATOM 301 O VAL A 20 77.399 -6.136 -2.391 1.00 0.00 O ATOM 302 CB VAL A 20 79.896 -4.964 -2.807 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.323 -4.430 -2.686 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.597 -5.266 -4.274 1.00 0.00 C ATOM 0 H VAL A 20 81.616 -7.154 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 20 79.848 -5.991 -0.913 1.00 0.00 H new ATOM 0 HB VAL A 20 79.189 -4.219 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.424 -3.522 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.540 -4.205 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 20 82.025 -5.181 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.699 -4.353 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.299 -6.015 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.580 -5.646 -4.367 1.00 0.00 H new ATOM 314 N GLU A 21 78.304 -8.183 -2.168 1.00 0.00 N ATOM 315 CA GLU A 21 77.029 -8.871 -2.368 1.00 0.00 C ATOM 316 C GLU A 21 76.651 -9.662 -1.119 1.00 0.00 C ATOM 317 O GLU A 21 77.325 -10.622 -0.747 1.00 0.00 O ATOM 318 CB GLU A 21 77.113 -9.800 -3.586 1.00 0.00 C ATOM 319 CG GLU A 21 77.920 -11.055 -3.242 1.00 0.00 C ATOM 320 CD GLU A 21 78.472 -11.687 -4.515 1.00 0.00 C ATOM 321 OE1 GLU A 21 78.989 -10.954 -5.341 1.00 0.00 O ATOM 322 OE2 GLU A 21 78.372 -12.897 -4.645 1.00 0.00 O1- ATOM 0 H GLU A 21 79.101 -8.799 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 21 76.255 -8.126 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 21 76.110 -10.081 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.580 -9.276 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.739 -10.798 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.288 -11.770 -2.716 1.00 0.00 H new ATOM 329 N LYS A 22 75.573 -9.239 -0.467 1.00 0.00 N ATOM 330 CA LYS A 22 75.111 -9.901 0.748 1.00 0.00 C ATOM 331 C LYS A 22 75.134 -11.419 0.581 1.00 0.00 C ATOM 332 O LYS A 22 74.862 -11.939 -0.501 1.00 0.00 O ATOM 333 CB LYS A 22 73.686 -9.440 1.080 1.00 0.00 C ATOM 334 CG LYS A 22 73.415 -9.615 2.582 1.00 0.00 C ATOM 335 CD LYS A 22 73.857 -8.359 3.337 1.00 0.00 C ATOM 336 CE LYS A 22 73.623 -8.554 4.836 1.00 0.00 C ATOM 337 NZ LYS A 22 72.160 -8.512 5.120 1.00 0.00 N1+ ATOM 0 H LYS A 22 75.005 -8.444 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 22 75.782 -9.632 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.558 -8.395 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.964 -10.017 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.354 -9.798 2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.952 -10.485 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 22 74.911 -8.160 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 22 73.299 -7.493 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 22 74.040 -9.508 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 22 74.136 -7.775 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.008 -8.440 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 71.738 -7.687 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.712 -9.380 4.764 1.00 0.00 H new ATOM 351 N GLY A 23 75.453 -12.120 1.664 1.00 0.00 N ATOM 352 CA GLY A 23 75.505 -13.577 1.635 1.00 0.00 C ATOM 353 C GLY A 23 76.426 -14.077 0.528 1.00 0.00 C ATOM 354 O GLY A 23 76.240 -15.176 0.005 1.00 0.00 O ATOM 0 H GLY A 23 75.678 -11.705 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.855 -13.950 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.502 -13.976 1.484 1.00 0.00 H new ATOM 358 N GLY A 24 77.418 -13.267 0.173 1.00 0.00 N ATOM 359 CA GLY A 24 78.359 -13.644 -0.874 1.00 0.00 C ATOM 360 C GLY A 24 79.522 -14.443 -0.301 1.00 0.00 C ATOM 361 O GLY A 24 79.349 -15.242 0.619 1.00 0.00 O ATOM 0 H GLY A 24 77.590 -12.353 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.846 -14.235 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.737 -12.749 -1.368 1.00 0.00 H new ATOM 365 N LYS A 25 80.706 -14.218 -0.856 1.00 0.00 N ATOM 366 CA LYS A 25 81.902 -14.917 -0.401 1.00 0.00 C ATOM 367 C LYS A 25 83.143 -14.063 -0.645 1.00 0.00 C ATOM 368 O LYS A 25 83.465 -13.729 -1.785 1.00 0.00 O ATOM 369 CB LYS A 25 82.041 -16.254 -1.137 1.00 0.00 C ATOM 370 CG LYS A 25 81.706 -16.066 -2.619 1.00 0.00 C ATOM 371 CD LYS A 25 81.811 -17.412 -3.340 1.00 0.00 C ATOM 372 CE LYS A 25 81.454 -17.230 -4.816 1.00 0.00 C ATOM 373 NZ LYS A 25 81.308 -18.566 -5.460 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.864 -13.560 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 25 81.808 -15.104 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.057 -16.635 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.374 -16.994 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.700 -15.661 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.389 -15.346 -3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.822 -17.809 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.140 -18.137 -2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 25 80.526 -16.666 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 25 82.230 -16.654 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 81.065 -18.443 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 82.204 -19.089 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.553 -19.100 -4.984 1.00 0.00 H new ATOM 387 N HIS A 26 83.834 -13.709 0.433 1.00 0.00 N ATOM 388 CA HIS A 26 85.035 -12.892 0.321 1.00 0.00 C ATOM 389 C HIS A 26 86.028 -13.525 -0.647 1.00 0.00 C ATOM 390 O HIS A 26 86.427 -14.677 -0.481 1.00 0.00 O ATOM 391 CB HIS A 26 85.688 -12.728 1.695 1.00 0.00 C ATOM 392 CG HIS A 26 85.607 -14.026 2.449 1.00 0.00 C ATOM 393 ND1 HIS A 26 84.442 -14.449 3.070 1.00 0.00 N ATOM 394 CD2 HIS A 26 86.539 -15.005 2.693 1.00 0.00 C ATOM 395 CE1 HIS A 26 84.700 -15.636 3.650 1.00 0.00 C ATOM 396 NE2 HIS A 26 85.964 -16.020 3.451 1.00 0.00 N ATOM 0 H HIS A 26 83.585 -13.973 1.386 1.00 0.00 H new ATOM 0 HA HIS A 26 84.749 -11.912 -0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.729 -12.426 1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 26 85.187 -11.938 2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 26 87.563 -14.989 2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 26 83.974 -16.208 4.208 1.00 0.00 H new ATOM 0 HE2 HIS A 26 86.412 -16.874 3.783 1.00 0.00 H new ATOM 405 N LYS A 27 86.423 -12.756 -1.655 1.00 0.00 N ATOM 406 CA LYS A 27 87.375 -13.232 -2.654 1.00 0.00 C ATOM 407 C LYS A 27 88.510 -12.228 -2.813 1.00 0.00 C ATOM 408 O LYS A 27 88.373 -11.231 -3.522 1.00 0.00 O ATOM 409 CB LYS A 27 86.671 -13.427 -3.999 1.00 0.00 C ATOM 410 CG LYS A 27 87.676 -13.934 -5.033 1.00 0.00 C ATOM 411 CD LYS A 27 86.930 -14.417 -6.280 1.00 0.00 C ATOM 412 CE LYS A 27 86.180 -13.244 -6.915 1.00 0.00 C ATOM 413 NZ LYS A 27 85.845 -13.577 -8.328 1.00 0.00 N1+ ATOM 0 H LYS A 27 86.099 -11.800 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 27 87.784 -14.186 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 27 85.852 -14.139 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.234 -12.486 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.372 -13.139 -5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.267 -14.748 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.634 -14.842 -6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 27 86.229 -15.208 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.270 -13.034 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 27 86.793 -12.343 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.335 -12.781 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.721 -13.757 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 85.245 -14.426 -8.352 1.00 0.00 H new ATOM 427 N THR A 28 89.626 -12.490 -2.141 1.00 0.00 N ATOM 428 CA THR A 28 90.770 -11.592 -2.209 1.00 0.00 C ATOM 429 C THR A 28 90.417 -10.251 -1.574 1.00 0.00 C ATOM 430 O THR A 28 90.976 -9.213 -1.928 1.00 0.00 O ATOM 431 CB THR A 28 91.185 -11.383 -3.670 1.00 0.00 C ATOM 432 OG1 THR A 28 91.024 -12.602 -4.382 1.00 0.00 O ATOM 433 CG2 THR A 28 92.649 -10.943 -3.736 1.00 0.00 C ATOM 0 H THR A 28 89.761 -13.309 -1.549 1.00 0.00 H new ATOM 0 HA THR A 28 91.602 -12.037 -1.663 1.00 0.00 H new ATOM 0 HB THR A 28 90.559 -10.611 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.287 -12.472 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.938 -10.796 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.773 -10.008 -3.189 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.280 -11.711 -3.289 1.00 0.00 H new ATOM 441 N GLY A 29 89.481 -10.287 -0.630 1.00 0.00 N ATOM 442 CA GLY A 29 89.048 -9.076 0.059 1.00 0.00 C ATOM 443 C GLY A 29 87.783 -9.345 0.873 1.00 0.00 C ATOM 444 O GLY A 29 87.050 -10.294 0.597 1.00 0.00 O ATOM 0 H GLY A 29 89.009 -11.139 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.842 -8.721 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.859 -8.286 -0.667 1.00 0.00 H new ATOM 448 N PRO A 30 87.518 -8.534 1.864 1.00 0.00 N ATOM 449 CA PRO A 30 86.314 -8.692 2.734 1.00 0.00 C ATOM 450 C PRO A 30 85.031 -8.247 2.035 1.00 0.00 C ATOM 451 O PRO A 30 85.072 -7.633 0.969 1.00 0.00 O ATOM 452 CB PRO A 30 86.625 -7.791 3.932 1.00 0.00 C ATOM 453 CG PRO A 30 87.521 -6.726 3.391 1.00 0.00 C ATOM 454 CD PRO A 30 88.334 -7.375 2.268 1.00 0.00 C ATOM 0 HA PRO A 30 86.136 -9.732 3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.714 -7.365 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.113 -8.350 4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 30 86.940 -5.884 3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.176 -6.337 4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.489 -6.686 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.320 -7.682 2.615 1.00 0.00 H new ATOM 462 N ASN A 31 83.892 -8.554 2.651 1.00 0.00 N ATOM 463 CA ASN A 31 82.597 -8.178 2.091 1.00 0.00 C ATOM 464 C ASN A 31 82.103 -6.890 2.736 1.00 0.00 C ATOM 465 O ASN A 31 81.986 -6.801 3.958 1.00 0.00 O ATOM 466 CB ASN A 31 81.577 -9.293 2.324 1.00 0.00 C ATOM 467 CG ASN A 31 81.282 -9.427 3.814 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.523 -8.634 4.371 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.841 -10.389 4.496 1.00 0.00 N ATOM 0 H ASN A 31 83.839 -9.060 3.535 1.00 0.00 H new ATOM 0 HA ASN A 31 82.714 -8.020 1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.657 -9.075 1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 31 81.961 -10.236 1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.649 -10.485 5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.470 -11.045 4.032 1.00 0.00 H new ATOM 476 N LEU A 32 81.823 -5.894 1.907 1.00 0.00 N ATOM 477 CA LEU A 32 81.353 -4.604 2.402 1.00 0.00 C ATOM 478 C LEU A 32 79.869 -4.657 2.764 1.00 0.00 C ATOM 479 O LEU A 32 79.150 -3.670 2.612 1.00 0.00 O ATOM 480 CB LEU A 32 81.583 -3.516 1.348 1.00 0.00 C ATOM 481 CG LEU A 32 82.977 -3.669 0.725 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.330 -2.406 -0.071 1.00 0.00 C ATOM 483 CD2 LEU A 32 84.019 -3.879 1.826 1.00 0.00 C ATOM 0 H LEU A 32 81.912 -5.952 0.893 1.00 0.00 H new ATOM 0 HA LEU A 32 81.921 -4.367 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.820 -3.584 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.487 -2.531 1.804 1.00 0.00 H new ATOM 0 HG LEU A 32 82.974 -4.532 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 32 84.321 -2.519 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.595 -2.258 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 32 83.325 -1.543 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 32 85.006 -3.987 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 32 84.018 -3.020 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.776 -4.780 2.390 1.00 0.00 H new ATOM 495 N HIS A 33 79.419 -5.808 3.252 1.00 0.00 N ATOM 496 CA HIS A 33 78.020 -5.960 3.644 1.00 0.00 C ATOM 497 C HIS A 33 77.681 -4.982 4.766 1.00 0.00 C ATOM 498 O HIS A 33 78.498 -4.749 5.655 1.00 0.00 O ATOM 499 CB HIS A 33 77.761 -7.390 4.126 1.00 0.00 C ATOM 500 CG HIS A 33 78.029 -8.361 3.010 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.188 -9.720 3.239 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.166 -8.192 1.654 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.408 -10.308 2.050 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.405 -9.423 1.051 1.00 0.00 N ATOM 0 H HIS A 33 79.993 -6.641 3.385 1.00 0.00 H new ATOM 0 HA HIS A 33 77.392 -5.750 2.778 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.400 -7.617 4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.730 -7.488 4.465 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.099 -7.247 1.135 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.568 -11.368 1.919 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.547 -9.609 0.058 1.00 0.00 H new ATOM 513 N GLY A 34 76.478 -4.411 4.719 1.00 0.00 N ATOM 514 CA GLY A 34 76.055 -3.455 5.744 1.00 0.00 C ATOM 515 C GLY A 34 77.236 -2.613 6.219 1.00 0.00 C ATOM 516 O GLY A 34 77.297 -2.199 7.377 1.00 0.00 O ATOM 0 H GLY A 34 75.786 -4.590 3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.277 -2.805 5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.620 -3.989 6.589 1.00 0.00 H new ATOM 520 N LEU A 35 78.174 -2.380 5.311 1.00 0.00 N ATOM 521 CA LEU A 35 79.369 -1.604 5.620 1.00 0.00 C ATOM 522 C LEU A 35 79.013 -0.293 6.321 1.00 0.00 C ATOM 523 O LEU A 35 79.477 -0.018 7.427 1.00 0.00 O ATOM 524 CB LEU A 35 80.114 -1.310 4.308 1.00 0.00 C ATOM 525 CG LEU A 35 81.319 -0.386 4.558 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.587 -1.222 4.736 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.503 0.551 3.360 1.00 0.00 C ATOM 0 H LEU A 35 78.130 -2.719 4.350 1.00 0.00 H new ATOM 0 HA LEU A 35 80.001 -2.179 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.453 -2.244 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.434 -0.843 3.595 1.00 0.00 H new ATOM 0 HG LEU A 35 81.138 0.198 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.436 -0.562 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.465 -1.892 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.765 -1.809 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.357 1.205 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.679 -0.039 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.605 1.154 3.229 1.00 0.00 H new ATOM 539 N PHE A 36 78.199 0.518 5.668 1.00 0.00 N ATOM 540 CA PHE A 36 77.806 1.806 6.229 1.00 0.00 C ATOM 541 C PHE A 36 77.247 1.657 7.644 1.00 0.00 C ATOM 542 O PHE A 36 76.048 1.435 7.824 1.00 0.00 O ATOM 543 CB PHE A 36 76.757 2.465 5.327 1.00 0.00 C ATOM 544 CG PHE A 36 77.233 2.427 3.892 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.066 1.264 3.127 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.848 3.551 3.326 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.516 1.225 1.803 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.299 3.511 2.004 1.00 0.00 C ATOM 549 CZ PHE A 36 78.134 2.348 1.241 1.00 0.00 C ATOM 0 H PHE A 36 77.797 0.312 4.753 1.00 0.00 H new ATOM 0 HA PHE A 36 78.696 2.433 6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.804 1.945 5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.589 3.496 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.589 0.397 3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.974 4.449 3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.387 0.329 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.775 4.378 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.483 2.318 0.220 1.00 0.00 H new ATOM 559 N GLY A 37 78.115 1.803 8.650 1.00 0.00 N ATOM 560 CA GLY A 37 77.674 1.705 10.043 1.00 0.00 C ATOM 561 C GLY A 37 78.657 0.930 10.922 1.00 0.00 C ATOM 562 O GLY A 37 78.717 1.154 12.132 1.00 0.00 O ATOM 0 H GLY A 37 79.111 1.986 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.543 2.708 10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.700 1.217 10.078 1.00 0.00 H new ATOM 566 N ARG A 38 79.412 0.009 10.330 1.00 0.00 N ATOM 567 CA ARG A 38 80.363 -0.792 11.109 1.00 0.00 C ATOM 568 C ARG A 38 81.726 -0.103 11.211 1.00 0.00 C ATOM 569 O ARG A 38 82.147 0.606 10.297 1.00 0.00 O ATOM 570 CB ARG A 38 80.534 -2.175 10.465 1.00 0.00 C ATOM 571 CG ARG A 38 79.621 -3.205 11.150 1.00 0.00 C ATOM 572 CD ARG A 38 80.049 -4.628 10.759 1.00 0.00 C ATOM 573 NE ARG A 38 79.220 -5.119 9.656 1.00 0.00 N ATOM 574 CZ ARG A 38 79.750 -5.600 8.528 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.046 -5.631 8.355 1.00 0.00 N ATOM 576 NH2 ARG A 38 78.963 -6.043 7.587 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.389 -0.202 9.332 1.00 0.00 H new ATOM 0 HA ARG A 38 79.960 -0.900 12.116 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.297 -2.120 9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.574 -2.493 10.543 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.672 -3.085 12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.584 -3.035 10.859 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.099 -4.632 10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.956 -5.293 11.618 1.00 0.00 H new ATOM 0 HE ARG A 38 78.205 -5.093 9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.667 -5.285 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.436 -6.001 7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 38 77.951 -6.020 7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.359 -6.412 6.723 1.00 0.00 H new ATOM 590 N LYS A 39 82.410 -0.331 12.335 1.00 0.00 N ATOM 591 CA LYS A 39 83.728 0.259 12.565 1.00 0.00 C ATOM 592 C LYS A 39 84.768 -0.347 11.624 1.00 0.00 C ATOM 593 O LYS A 39 84.508 -1.354 10.965 1.00 0.00 O ATOM 594 CB LYS A 39 84.155 0.028 14.020 1.00 0.00 C ATOM 595 CG LYS A 39 83.503 1.077 14.933 1.00 0.00 C ATOM 596 CD LYS A 39 84.390 2.325 15.012 1.00 0.00 C ATOM 597 CE LYS A 39 83.757 3.352 15.958 1.00 0.00 C ATOM 598 NZ LYS A 39 84.261 3.125 17.342 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.073 -0.919 13.097 1.00 0.00 H new ATOM 0 HA LYS A 39 83.663 1.329 12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.865 -0.973 14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.240 0.087 14.103 1.00 0.00 H new ATOM 0 HG2 LYS A 39 82.518 1.344 14.549 1.00 0.00 H new ATOM 0 HG3 LYS A 39 83.355 0.662 15.930 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.384 2.054 15.367 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.513 2.758 14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 39 84.001 4.363 15.631 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.671 3.263 15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.833 3.821 17.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 84.007 2.165 17.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 85.296 3.231 17.356 1.00 0.00 H new ATOM 612 N THR A 40 85.944 0.275 11.564 1.00 0.00 N ATOM 613 CA THR A 40 87.013 -0.209 10.697 1.00 0.00 C ATOM 614 C THR A 40 87.512 -1.576 11.147 1.00 0.00 C ATOM 615 O THR A 40 87.541 -1.880 12.340 1.00 0.00 O ATOM 616 CB THR A 40 88.179 0.783 10.691 1.00 0.00 C ATOM 617 OG1 THR A 40 88.486 1.161 12.024 1.00 0.00 O ATOM 618 CG2 THR A 40 87.793 2.023 9.887 1.00 0.00 C ATOM 0 H THR A 40 86.179 1.109 12.102 1.00 0.00 H new ATOM 0 HA THR A 40 86.607 -0.303 9.690 1.00 0.00 H new ATOM 0 HB THR A 40 89.051 0.313 10.236 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.134 0.531 12.402 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.624 2.728 9.884 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.559 1.734 8.863 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.920 2.493 10.340 1.00 0.00 H new ATOM 626 N GLY A 41 87.910 -2.396 10.178 1.00 0.00 N ATOM 627 CA GLY A 41 88.414 -3.731 10.474 1.00 0.00 C ATOM 628 C GLY A 41 87.533 -4.440 11.490 1.00 0.00 C ATOM 629 O GLY A 41 88.021 -4.965 12.491 1.00 0.00 O ATOM 0 H GLY A 41 87.893 -2.160 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.459 -4.317 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.432 -3.661 10.858 1.00 0.00 H new ATOM 633 N GLN A 42 86.233 -4.449 11.226 1.00 0.00 N ATOM 634 CA GLN A 42 85.280 -5.095 12.126 1.00 0.00 C ATOM 635 C GLN A 42 84.576 -6.253 11.426 1.00 0.00 C ATOM 636 O GLN A 42 83.832 -7.006 12.053 1.00 0.00 O ATOM 637 CB GLN A 42 84.242 -4.077 12.608 1.00 0.00 C ATOM 638 CG GLN A 42 83.575 -4.588 13.889 1.00 0.00 C ATOM 639 CD GLN A 42 82.591 -3.550 14.416 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.896 -2.831 15.366 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.420 -3.431 13.853 1.00 0.00 N ATOM 0 H GLN A 42 85.814 -4.020 10.401 1.00 0.00 H new ATOM 0 HA GLN A 42 85.829 -5.487 12.982 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.720 -3.115 12.794 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.491 -3.915 11.835 1.00 0.00 H new ATOM 0 HG2 GLN A 42 83.055 -5.525 13.689 1.00 0.00 H new ATOM 0 HG3 GLN A 42 84.333 -4.799 14.644 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.170 -4.029 13.065 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.755 -2.740 14.201 1.00 0.00 H new ATOM 701 N THR A 47 91.805 -11.125 6.748 1.00 0.00 N ATOM 702 CA THR A 47 92.783 -10.765 7.767 1.00 0.00 C ATOM 703 C THR A 47 92.999 -9.256 7.790 1.00 0.00 C ATOM 704 O THR A 47 93.940 -8.743 7.183 1.00 0.00 O ATOM 705 CB THR A 47 94.112 -11.469 7.489 1.00 0.00 C ATOM 706 OG1 THR A 47 93.901 -12.874 7.447 1.00 0.00 O ATOM 707 CG2 THR A 47 95.113 -11.134 8.596 1.00 0.00 C ATOM 0 HA THR A 47 92.402 -11.082 8.738 1.00 0.00 H new ATOM 0 HB THR A 47 94.509 -11.131 6.532 1.00 0.00 H new ATOM 0 HG1 THR A 47 93.016 -13.061 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 47 96.059 -11.637 8.395 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.274 -10.056 8.627 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.720 -11.470 9.556 1.00 0.00 H new ATOM 715 N TYR A 48 92.117 -8.551 8.489 1.00 0.00 N ATOM 716 CA TYR A 48 92.212 -7.098 8.582 1.00 0.00 C ATOM 717 C TYR A 48 93.522 -6.679 9.240 1.00 0.00 C ATOM 718 O TYR A 48 94.091 -7.416 10.044 1.00 0.00 O ATOM 719 CB TYR A 48 91.031 -6.553 9.390 1.00 0.00 C ATOM 720 CG TYR A 48 89.853 -6.329 8.476 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.764 -5.147 7.738 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.849 -7.299 8.372 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.672 -4.927 6.898 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.755 -7.082 7.526 1.00 0.00 C ATOM 725 CZ TYR A 48 87.666 -5.894 6.790 1.00 0.00 C ATOM 726 OH TYR A 48 86.585 -5.672 5.965 1.00 0.00 O ATOM 0 H TYR A 48 91.332 -8.958 8.997 1.00 0.00 H new ATOM 0 HA TYR A 48 92.186 -6.687 7.573 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.763 -7.255 10.180 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.310 -5.618 9.876 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.542 -4.402 7.818 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.918 -8.213 8.943 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.603 -4.010 6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 48 86.981 -7.830 7.441 1.00 0.00 H new ATOM 0 HH TYR A 48 86.783 -4.927 5.360 1.00 0.00 H new ATOM 736 N THR A 49 93.991 -5.485 8.889 1.00 0.00 N ATOM 737 CA THR A 49 95.234 -4.965 9.447 1.00 0.00 C ATOM 738 C THR A 49 94.977 -4.281 10.787 1.00 0.00 C ATOM 739 O THR A 49 93.845 -3.914 11.100 1.00 0.00 O ATOM 740 CB THR A 49 95.861 -3.967 8.471 1.00 0.00 C ATOM 741 OG1 THR A 49 94.952 -2.898 8.243 1.00 0.00 O ATOM 742 CG2 THR A 49 96.170 -4.668 7.146 1.00 0.00 C ATOM 0 H THR A 49 93.531 -4.863 8.224 1.00 0.00 H new ATOM 0 HA THR A 49 95.918 -5.798 9.607 1.00 0.00 H new ATOM 0 HB THR A 49 96.786 -3.576 8.895 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.444 -2.051 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.616 -3.955 6.453 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.866 -5.488 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.248 -5.061 6.718 1.00 0.00 H new ATOM 750 N ASP A 50 96.035 -4.113 11.574 1.00 0.00 N ATOM 751 CA ASP A 50 95.913 -3.473 12.880 1.00 0.00 C ATOM 752 C ASP A 50 95.317 -2.076 12.738 1.00 0.00 C ATOM 753 O ASP A 50 94.435 -1.686 13.504 1.00 0.00 O ATOM 754 CB ASP A 50 97.287 -3.384 13.548 1.00 0.00 C ATOM 755 CG ASP A 50 98.119 -4.612 13.195 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.598 -5.710 13.309 1.00 0.00 O ATOM 757 OD2 ASP A 50 99.266 -4.438 12.817 1.00 0.00 O1- ATOM 0 H ASP A 50 96.981 -4.409 11.333 1.00 0.00 H new ATOM 0 HA ASP A 50 95.249 -4.075 13.500 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.801 -2.480 13.222 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.171 -3.312 14.629 1.00 0.00 H new ATOM 762 N ALA A 51 95.805 -1.327 11.755 1.00 0.00 N ATOM 763 CA ALA A 51 95.312 0.025 11.523 1.00 0.00 C ATOM 764 C ALA A 51 93.799 0.022 11.339 1.00 0.00 C ATOM 765 O ALA A 51 93.106 0.918 11.814 1.00 0.00 O ATOM 766 CB ALA A 51 95.978 0.615 10.279 1.00 0.00 C ATOM 0 H ALA A 51 96.536 -1.630 11.111 1.00 0.00 H new ATOM 0 HA ALA A 51 95.558 0.635 12.392 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.605 1.625 10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 51 97.058 0.646 10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.746 -0.006 9.413 1.00 0.00 H new ATOM 772 N ASN A 52 93.295 -0.993 10.646 1.00 0.00 N ATOM 773 CA ASN A 52 91.860 -1.104 10.406 1.00 0.00 C ATOM 774 C ASN A 52 91.163 -1.705 11.625 1.00 0.00 C ATOM 775 O ASN A 52 89.991 -1.432 11.882 1.00 0.00 O ATOM 776 CB ASN A 52 91.611 -1.987 9.173 1.00 0.00 C ATOM 777 CG ASN A 52 91.224 -1.129 7.972 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.597 0.040 7.893 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.490 -1.649 7.025 1.00 0.00 N ATOM 0 H ASN A 52 93.853 -1.746 10.243 1.00 0.00 H new ATOM 0 HA ASN A 52 91.453 -0.109 10.227 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.508 -2.562 8.943 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.818 -2.704 9.386 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.225 -1.085 6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.182 -2.619 7.093 1.00 0.00 H new ATOM 786 N LYS A 53 91.898 -2.516 12.376 1.00 0.00 N ATOM 787 CA LYS A 53 91.352 -3.147 13.568 1.00 0.00 C ATOM 788 C LYS A 53 91.461 -2.187 14.746 1.00 0.00 C ATOM 789 O LYS A 53 90.888 -2.416 15.809 1.00 0.00 O ATOM 790 CB LYS A 53 92.117 -4.456 13.844 1.00 0.00 C ATOM 791 CG LYS A 53 92.327 -4.663 15.349 1.00 0.00 C ATOM 792 CD LYS A 53 93.004 -6.016 15.587 1.00 0.00 C ATOM 793 CE LYS A 53 92.810 -6.436 17.045 1.00 0.00 C ATOM 794 NZ LYS A 53 93.687 -7.603 17.347 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.871 -2.751 12.180 1.00 0.00 H new ATOM 0 HA LYS A 53 90.299 -3.386 13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.563 -5.299 13.431 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.082 -4.431 13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 53 92.942 -3.860 15.755 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.370 -4.626 15.869 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.580 -6.768 14.922 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.067 -5.948 15.356 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.050 -5.606 17.709 1.00 0.00 H new ATOM 0 HE3 LYS A 53 91.767 -6.696 17.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.555 -7.889 18.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.437 -8.396 16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.681 -7.340 17.192 1.00 0.00 H new ATOM 808 N ASN A 54 92.203 -1.107 14.538 1.00 0.00 N ATOM 809 CA ASN A 54 92.385 -0.107 15.578 1.00 0.00 C ATOM 810 C ASN A 54 91.060 0.571 15.896 1.00 0.00 C ATOM 811 O ASN A 54 90.893 1.179 16.952 1.00 0.00 O ATOM 812 CB ASN A 54 93.398 0.936 15.105 1.00 0.00 C ATOM 813 CG ASN A 54 92.704 2.054 14.330 1.00 0.00 C ATOM 814 OD1 ASN A 54 91.738 1.764 13.504 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 93.052 3.225 14.485 1.00 0.00 N flip ATOM 0 H ASN A 54 92.686 -0.903 13.663 1.00 0.00 H new ATOM 0 HA ASN A 54 92.754 -0.594 16.481 1.00 0.00 H new ATOM 0 HB2 ASN A 54 93.924 1.354 15.963 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.148 0.461 14.473 1.00 0.00 H new ATOM 0 HD21 ASN A 54 93.808 3.451 15.131 1.00 0.00 H new ATOM 0 HD22 ASN A 54 92.584 3.969 13.967 1.00 0.00 H new ATOM 822 N LYS A 55 90.124 0.453 14.967 1.00 0.00 N ATOM 823 CA LYS A 55 88.803 1.052 15.140 1.00 0.00 C ATOM 824 C LYS A 55 88.923 2.549 15.413 1.00 0.00 C ATOM 825 O LYS A 55 88.560 3.022 16.489 1.00 0.00 O ATOM 826 CB LYS A 55 88.068 0.383 16.303 1.00 0.00 C ATOM 827 CG LYS A 55 87.837 -1.100 15.988 1.00 0.00 C ATOM 828 CD LYS A 55 86.654 -1.623 16.807 1.00 0.00 C ATOM 829 CE LYS A 55 86.911 -1.374 18.294 1.00 0.00 C ATOM 830 NZ LYS A 55 88.274 -1.856 18.653 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.250 -0.049 14.088 1.00 0.00 H new ATOM 0 HA LYS A 55 88.239 0.902 14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 55 88.650 0.483 17.219 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.114 0.880 16.476 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.640 -1.229 14.924 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.734 -1.675 16.219 1.00 0.00 H new ATOM 0 HD2 LYS A 55 85.735 -1.124 16.498 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.515 -2.689 16.625 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.820 -0.311 18.516 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.162 -1.890 18.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.282 -2.166 19.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 88.533 -2.655 18.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 88.960 -1.085 18.525 1.00 0.00 H new ATOM 844 N GLY A 56 89.434 3.288 14.433 1.00 0.00 N ATOM 845 CA GLY A 56 89.597 4.730 14.585 1.00 0.00 C ATOM 846 C GLY A 56 88.335 5.475 14.167 1.00 0.00 C ATOM 847 O GLY A 56 87.923 6.434 14.820 1.00 0.00 O ATOM 0 H GLY A 56 89.740 2.917 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.834 4.964 15.623 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.439 5.069 13.982 1.00 0.00 H new ATOM 851 N ILE A 57 87.720 5.028 13.076 1.00 0.00 N ATOM 852 CA ILE A 57 86.500 5.658 12.581 1.00 0.00 C ATOM 853 C ILE A 57 85.500 4.600 12.136 1.00 0.00 C ATOM 854 O ILE A 57 85.772 3.402 12.226 1.00 0.00 O ATOM 855 CB ILE A 57 86.827 6.588 11.408 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.352 5.766 10.217 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.897 7.591 11.846 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.191 5.317 9.317 1.00 0.00 C ATOM 0 H ILE A 57 88.044 4.236 12.520 1.00 0.00 H new ATOM 0 HA ILE A 57 86.059 6.242 13.389 1.00 0.00 H new ATOM 0 HB ILE A 57 85.924 7.118 11.104 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.058 6.363 9.639 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.895 4.894 10.581 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.134 8.256 11.015 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.524 8.178 12.685 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.796 7.055 12.150 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.582 4.737 8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.501 4.702 9.894 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.665 6.193 8.937 1.00 0.00 H new ATOM 870 N THR A 58 84.342 5.046 11.657 1.00 0.00 N ATOM 871 CA THR A 58 83.304 4.123 11.204 1.00 0.00 C ATOM 872 C THR A 58 82.965 4.358 9.738 1.00 0.00 C ATOM 873 O THR A 58 82.898 5.498 9.279 1.00 0.00 O ATOM 874 CB THR A 58 82.043 4.303 12.054 1.00 0.00 C ATOM 875 OG1 THR A 58 82.312 3.896 13.388 1.00 0.00 O ATOM 876 CG2 THR A 58 80.911 3.451 11.477 1.00 0.00 C ATOM 0 H THR A 58 84.099 6.033 11.572 1.00 0.00 H new ATOM 0 HA THR A 58 83.682 3.106 11.314 1.00 0.00 H new ATOM 0 HB THR A 58 81.745 5.352 12.046 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.507 4.012 13.934 1.00 0.00 H new ATOM 0 HG21 THR A 58 80.014 3.580 12.083 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.706 3.764 10.453 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.206 2.402 11.484 1.00 0.00 H new ATOM 884 N TRP A 59 82.739 3.268 9.008 1.00 0.00 N ATOM 885 CA TRP A 59 82.396 3.373 7.597 1.00 0.00 C ATOM 886 C TRP A 59 81.071 4.111 7.438 1.00 0.00 C ATOM 887 O TRP A 59 80.119 3.866 8.177 1.00 0.00 O ATOM 888 CB TRP A 59 82.273 1.986 6.961 1.00 0.00 C ATOM 889 CG TRP A 59 83.413 1.111 7.383 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.705 1.500 7.460 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.387 -0.296 7.776 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.473 0.423 7.872 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.704 -0.703 8.087 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.361 -1.250 7.894 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.991 -2.005 8.504 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.647 -2.561 8.308 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.959 -2.936 8.614 1.00 0.00 C ATOM 0 H TRP A 59 82.787 2.314 9.367 1.00 0.00 H new ATOM 0 HA TRP A 59 83.192 3.924 7.096 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.328 1.528 7.254 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.260 2.078 5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.078 2.489 7.237 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.484 0.458 8.001 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.343 -0.972 7.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.006 -2.289 8.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.849 -3.284 8.391 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.172 -3.945 8.935 1.00 0.00 H new ATOM 908 N LYS A 60 81.020 5.011 6.467 1.00 0.00 N ATOM 909 CA LYS A 60 79.811 5.783 6.205 1.00 0.00 C ATOM 910 C LYS A 60 79.820 6.272 4.764 1.00 0.00 C ATOM 911 O LYS A 60 80.585 5.771 3.943 1.00 0.00 O ATOM 912 CB LYS A 60 79.733 6.977 7.163 1.00 0.00 C ATOM 913 CG LYS A 60 79.499 6.478 8.593 1.00 0.00 C ATOM 914 CD LYS A 60 79.048 7.641 9.482 1.00 0.00 C ATOM 915 CE LYS A 60 80.244 8.544 9.793 1.00 0.00 C ATOM 916 NZ LYS A 60 79.839 9.580 10.783 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.801 5.226 5.847 1.00 0.00 H new ATOM 0 HA LYS A 60 78.939 5.148 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.656 7.554 7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.924 7.644 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.743 5.693 8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.415 6.039 8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.268 8.214 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.618 7.259 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.068 7.951 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.602 9.019 8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.651 10.194 10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 79.065 10.153 10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.517 9.118 11.657 1.00 0.00 H new ATOM 930 N GLU A 61 78.973 7.245 4.451 1.00 0.00 N ATOM 931 CA GLU A 61 78.916 7.774 3.096 1.00 0.00 C ATOM 932 C GLU A 61 80.100 8.699 2.828 1.00 0.00 C ATOM 933 O GLU A 61 80.885 8.468 1.907 1.00 0.00 O ATOM 934 CB GLU A 61 77.609 8.541 2.888 1.00 0.00 C ATOM 935 CG GLU A 61 77.426 8.848 1.401 1.00 0.00 C ATOM 936 CD GLU A 61 76.057 9.478 1.162 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.074 8.762 1.256 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 76.014 10.666 0.889 1.00 0.00 O ATOM 0 H GLU A 61 78.324 7.678 5.108 1.00 0.00 H new ATOM 0 HA GLU A 61 78.960 6.937 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.768 7.953 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.624 9.468 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.211 9.524 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.521 7.932 0.818 1.00 0.00 H new ATOM 945 N GLU A 62 80.224 9.746 3.638 1.00 0.00 N ATOM 946 CA GLU A 62 81.315 10.701 3.471 1.00 0.00 C ATOM 947 C GLU A 62 82.655 10.073 3.847 1.00 0.00 C ATOM 948 O GLU A 62 83.674 10.346 3.215 1.00 0.00 O ATOM 949 CB GLU A 62 81.065 11.947 4.331 1.00 0.00 C ATOM 950 CG GLU A 62 80.432 11.543 5.670 1.00 0.00 C ATOM 951 CD GLU A 62 78.910 11.581 5.568 1.00 0.00 C ATOM 952 OE1 GLU A 62 78.407 11.477 4.462 1.00 0.00 O ATOM 953 OE2 GLU A 62 78.270 11.714 6.599 1.00 0.00 O1- ATOM 0 H GLU A 62 79.590 9.954 4.409 1.00 0.00 H new ATOM 0 HA GLU A 62 81.352 10.990 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 62 82.004 12.472 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 62 80.408 12.638 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 62 80.760 10.541 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 62 80.768 12.218 6.457 1.00 0.00 H new ATOM 960 N THR A 63 82.651 9.232 4.873 1.00 0.00 N ATOM 961 CA THR A 63 83.880 8.580 5.303 1.00 0.00 C ATOM 962 C THR A 63 84.439 7.735 4.171 1.00 0.00 C ATOM 963 O THR A 63 85.654 7.645 3.987 1.00 0.00 O ATOM 964 CB THR A 63 83.614 7.689 6.516 1.00 0.00 C ATOM 965 OG1 THR A 63 82.691 6.671 6.158 1.00 0.00 O ATOM 966 CG2 THR A 63 83.035 8.529 7.650 1.00 0.00 C ATOM 0 H THR A 63 81.823 8.988 5.416 1.00 0.00 H new ATOM 0 HA THR A 63 84.603 9.349 5.577 1.00 0.00 H new ATOM 0 HB THR A 63 84.548 7.234 6.846 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.161 5.956 5.680 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.846 7.892 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.744 9.310 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.100 8.986 7.324 1.00 0.00 H new ATOM 974 N LEU A 64 83.542 7.120 3.410 1.00 0.00 N ATOM 975 CA LEU A 64 83.960 6.286 2.294 1.00 0.00 C ATOM 976 C LEU A 64 84.569 7.150 1.196 1.00 0.00 C ATOM 977 O LEU A 64 85.506 6.733 0.520 1.00 0.00 O ATOM 978 CB LEU A 64 82.765 5.499 1.736 1.00 0.00 C ATOM 979 CG LEU A 64 82.865 4.021 2.145 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.511 3.337 1.926 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.936 3.320 1.297 1.00 0.00 C ATOM 0 H LEU A 64 82.533 7.182 3.544 1.00 0.00 H new ATOM 0 HA LEU A 64 84.710 5.579 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.834 5.925 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.741 5.582 0.649 1.00 0.00 H new ATOM 0 HG LEU A 64 83.140 3.956 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.582 2.289 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.752 3.831 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.235 3.404 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.004 2.272 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.666 3.385 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.900 3.804 1.455 1.00 0.00 H new ATOM 993 N MET A 65 84.030 8.354 1.019 1.00 0.00 N ATOM 994 CA MET A 65 84.538 9.258 -0.012 1.00 0.00 C ATOM 995 C MET A 65 86.021 9.543 0.197 1.00 0.00 C ATOM 996 O MET A 65 86.837 9.302 -0.692 1.00 0.00 O ATOM 997 CB MET A 65 83.763 10.575 0.013 1.00 0.00 C ATOM 998 CG MET A 65 82.306 10.308 -0.352 1.00 0.00 C ATOM 999 SD MET A 65 81.324 11.795 -0.030 1.00 0.00 S ATOM 1000 CE MET A 65 80.834 12.116 -1.738 1.00 0.00 C ATOM 0 H MET A 65 83.253 8.723 1.567 1.00 0.00 H new ATOM 0 HA MET A 65 84.405 8.773 -0.979 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.825 11.028 1.002 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.203 11.283 -0.690 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.228 10.028 -1.402 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.921 9.471 0.231 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.209 13.008 -1.776 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.723 12.270 -2.349 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.273 11.264 -2.122 1.00 0.00 H new ATOM 1010 N GLU A 66 86.362 10.053 1.374 1.00 0.00 N ATOM 1011 CA GLU A 66 87.754 10.360 1.678 1.00 0.00 C ATOM 1012 C GLU A 66 88.596 9.093 1.593 1.00 0.00 C ATOM 1013 O GLU A 66 89.781 9.139 1.269 1.00 0.00 O ATOM 1014 CB GLU A 66 87.862 10.959 3.082 1.00 0.00 C ATOM 1015 CG GLU A 66 87.082 12.275 3.137 1.00 0.00 C ATOM 1016 CD GLU A 66 87.777 13.329 2.282 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.948 13.578 2.519 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.128 13.874 1.404 1.00 0.00 O ATOM 0 H GLU A 66 85.704 10.261 2.125 1.00 0.00 H new ATOM 0 HA GLU A 66 88.123 11.084 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.468 10.259 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.908 11.133 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.064 12.119 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.009 12.621 4.168 1.00 0.00 H new ATOM 1025 N TYR A 67 87.967 7.964 1.886 1.00 0.00 N ATOM 1026 CA TYR A 67 88.652 6.678 1.839 1.00 0.00 C ATOM 1027 C TYR A 67 88.786 6.197 0.396 1.00 0.00 C ATOM 1028 O TYR A 67 89.718 5.467 0.058 1.00 0.00 O ATOM 1029 CB TYR A 67 87.866 5.654 2.662 1.00 0.00 C ATOM 1030 CG TYR A 67 88.422 4.266 2.443 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.458 3.789 3.255 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.890 3.452 1.436 1.00 0.00 C ATOM 1033 CE1 TYR A 67 89.962 2.498 3.057 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.396 2.162 1.237 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.432 1.685 2.049 1.00 0.00 C ATOM 1036 OH TYR A 67 89.930 0.412 1.854 1.00 0.00 O ATOM 0 H TYR A 67 86.985 7.911 2.158 1.00 0.00 H new ATOM 0 HA TYR A 67 89.652 6.792 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.918 5.911 3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.814 5.680 2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.868 4.416 4.033 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.089 3.819 0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.761 2.129 3.683 1.00 0.00 H new ATOM 0 HE2 TYR A 67 87.988 1.535 0.458 1.00 0.00 H new ATOM 0 HH TYR A 67 90.020 0.240 0.894 1.00 0.00 H new ATOM 1046 N LEU A 68 87.843 6.606 -0.447 1.00 0.00 N ATOM 1047 CA LEU A 68 87.854 6.202 -1.850 1.00 0.00 C ATOM 1048 C LEU A 68 88.859 7.032 -2.650 1.00 0.00 C ATOM 1049 O LEU A 68 89.318 6.605 -3.708 1.00 0.00 O ATOM 1050 CB LEU A 68 86.450 6.372 -2.456 1.00 0.00 C ATOM 1051 CG LEU A 68 85.566 5.157 -2.127 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.175 5.344 -2.738 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.175 3.878 -2.700 1.00 0.00 C ATOM 0 H LEU A 68 87.066 7.213 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 68 88.150 5.154 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.988 7.280 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.527 6.490 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 68 85.495 5.075 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.554 4.480 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.716 6.244 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.263 5.442 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.535 3.030 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.261 3.969 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.164 3.722 -2.270 1.00 0.00 H new ATOM 1065 N GLU A 69 89.194 8.216 -2.145 1.00 0.00 N ATOM 1066 CA GLU A 69 90.144 9.086 -2.837 1.00 0.00 C ATOM 1067 C GLU A 69 91.568 8.811 -2.366 1.00 0.00 C ATOM 1068 O GLU A 69 92.537 9.277 -2.966 1.00 0.00 O ATOM 1069 CB GLU A 69 89.774 10.559 -2.596 1.00 0.00 C ATOM 1070 CG GLU A 69 90.412 11.074 -1.295 1.00 0.00 C ATOM 1071 CD GLU A 69 91.792 11.665 -1.574 1.00 0.00 C ATOM 1072 OE1 GLU A 69 92.234 11.586 -2.708 1.00 0.00 O ATOM 1073 OE2 GLU A 69 92.387 12.191 -0.647 1.00 0.00 O1- ATOM 0 H GLU A 69 88.828 8.593 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 69 90.094 8.878 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.110 11.166 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.690 10.663 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.770 11.830 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 69 90.498 10.258 -0.577 1.00 0.00 H new ATOM 1080 N ASN A 70 91.683 8.047 -1.287 1.00 0.00 N ATOM 1081 CA ASN A 70 92.990 7.705 -0.733 1.00 0.00 C ATOM 1082 C ASN A 70 92.831 6.690 0.399 1.00 0.00 C ATOM 1083 O ASN A 70 93.059 6.999 1.569 1.00 0.00 O ATOM 1084 CB ASN A 70 93.684 8.971 -0.216 1.00 0.00 C ATOM 1085 CG ASN A 70 95.199 8.806 -0.280 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.746 7.701 0.147 1.00 0.00 O flip ATOM 1087 ND2 ASN A 70 95.904 9.707 -0.733 1.00 0.00 N flip ATOM 0 H ASN A 70 90.891 7.653 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 70 93.604 7.261 -1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.379 9.831 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.376 9.170 0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 70 95.476 10.571 -1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 70 96.916 9.590 -0.775 1.00 0.00 H new ATOM 1094 N PRO A 71 92.429 5.496 0.059 1.00 0.00 N ATOM 1095 CA PRO A 71 92.207 4.392 1.041 1.00 0.00 C ATOM 1096 C PRO A 71 93.349 4.229 2.046 1.00 0.00 C ATOM 1097 O PRO A 71 93.117 3.901 3.210 1.00 0.00 O ATOM 1098 CB PRO A 71 92.088 3.147 0.157 1.00 0.00 C ATOM 1099 CG PRO A 71 91.600 3.644 -1.164 1.00 0.00 C ATOM 1100 CD PRO A 71 92.139 5.067 -1.320 1.00 0.00 C ATOM 0 HA PRO A 71 91.331 4.586 1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.049 2.643 0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.393 2.425 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.953 3.005 -1.973 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.511 3.635 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.035 5.088 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.407 5.720 -1.795 1.00 0.00 H new ATOM 1108 N LYS A 72 94.578 4.428 1.588 1.00 0.00 N ATOM 1109 CA LYS A 72 95.741 4.266 2.458 1.00 0.00 C ATOM 1110 C LYS A 72 95.936 5.470 3.376 1.00 0.00 C ATOM 1111 O LYS A 72 96.151 5.313 4.578 1.00 0.00 O ATOM 1112 CB LYS A 72 96.996 4.072 1.601 1.00 0.00 C ATOM 1113 CG LYS A 72 98.227 3.850 2.495 1.00 0.00 C ATOM 1114 CD LYS A 72 98.277 2.396 2.990 1.00 0.00 C ATOM 1115 CE LYS A 72 98.378 1.431 1.801 1.00 0.00 C ATOM 1116 NZ LYS A 72 99.248 0.279 2.172 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.797 4.699 0.629 1.00 0.00 H new ATOM 0 HA LYS A 72 95.570 3.391 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.862 3.218 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.151 4.946 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.135 4.082 1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.193 4.529 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 72 99.132 2.259 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.384 2.173 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 72 97.386 1.077 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.789 1.947 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 99.767 -0.049 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 99.925 0.577 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 98.660 -0.496 2.540 1.00 0.00 H new ATOM 1130 N LYS A 73 95.885 6.666 2.806 1.00 0.00 N ATOM 1131 CA LYS A 73 96.086 7.876 3.593 1.00 0.00 C ATOM 1132 C LYS A 73 95.022 8.016 4.681 1.00 0.00 C ATOM 1133 O LYS A 73 95.285 8.580 5.743 1.00 0.00 O ATOM 1134 CB LYS A 73 96.053 9.108 2.687 1.00 0.00 C ATOM 1135 CG LYS A 73 96.430 10.351 3.497 1.00 0.00 C ATOM 1136 CD LYS A 73 96.773 11.499 2.544 1.00 0.00 C ATOM 1137 CE LYS A 73 95.522 11.911 1.765 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.754 13.231 1.114 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.708 6.825 1.814 1.00 0.00 H new ATOM 0 HA LYS A 73 97.062 7.800 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.746 8.979 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.059 9.229 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 73 95.604 10.639 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.281 10.133 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.160 12.349 3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 73 97.558 11.190 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.285 11.159 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.666 11.970 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.904 13.511 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 95.960 13.945 1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 96.560 13.159 0.461 1.00 0.00 H new ATOM 1152 N TYR A 74 93.824 7.505 4.415 1.00 0.00 N ATOM 1153 CA TYR A 74 92.742 7.594 5.391 1.00 0.00 C ATOM 1154 C TYR A 74 93.065 6.755 6.624 1.00 0.00 C ATOM 1155 O TYR A 74 93.098 7.268 7.743 1.00 0.00 O ATOM 1156 CB TYR A 74 91.424 7.122 4.759 1.00 0.00 C ATOM 1157 CG TYR A 74 90.264 7.882 5.367 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.181 9.272 5.214 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.273 7.199 6.084 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.112 9.978 5.777 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.203 7.906 6.647 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.123 9.293 6.494 1.00 0.00 C ATOM 1163 OH TYR A 74 87.068 9.990 7.050 1.00 0.00 O ATOM 0 H TYR A 74 93.579 7.032 3.545 1.00 0.00 H new ATOM 0 HA TYR A 74 92.635 8.634 5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.450 7.280 3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.295 6.052 4.921 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.944 9.800 4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.334 6.127 6.203 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.050 11.050 5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.439 7.379 7.200 1.00 0.00 H new ATOM 0 HH TYR A 74 86.471 9.366 7.512 1.00 0.00 H new ATOM 1173 N ILE A 75 93.311 5.466 6.411 1.00 0.00 N ATOM 1174 CA ILE A 75 93.642 4.561 7.511 1.00 0.00 C ATOM 1175 C ILE A 75 94.933 3.809 7.201 1.00 0.00 C ATOM 1176 O ILE A 75 94.914 2.608 6.928 1.00 0.00 O ATOM 1177 CB ILE A 75 92.500 3.562 7.728 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.188 4.324 7.939 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.794 2.706 8.964 1.00 0.00 C ATOM 1180 CD1 ILE A 75 90.002 3.384 7.710 1.00 0.00 C ATOM 0 H ILE A 75 93.288 5.024 5.492 1.00 0.00 H new ATOM 0 HA ILE A 75 93.782 5.148 8.419 1.00 0.00 H new ATOM 0 HB ILE A 75 92.412 2.918 6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.151 4.731 8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.133 5.169 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.981 1.996 9.117 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.727 2.162 8.817 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.883 3.349 9.839 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.071 3.930 7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 75 90.035 2.998 6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.054 2.554 8.414 1.00 0.00 H new ATOM 1192 N PRO A 76 96.047 4.495 7.228 1.00 0.00 N ATOM 1193 CA PRO A 76 97.377 3.887 6.937 1.00 0.00 C ATOM 1194 C PRO A 76 97.532 2.509 7.572 1.00 0.00 C ATOM 1195 O PRO A 76 97.298 2.336 8.767 1.00 0.00 O ATOM 1196 CB PRO A 76 98.360 4.890 7.539 1.00 0.00 C ATOM 1197 CG PRO A 76 97.669 6.212 7.445 1.00 0.00 C ATOM 1198 CD PRO A 76 96.165 5.930 7.543 1.00 0.00 C ATOM 0 HA PRO A 76 97.533 3.717 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.595 4.640 8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.302 4.897 6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.992 6.875 8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.909 6.709 6.505 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.782 6.152 8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.598 6.540 6.840 1.00 0.00 H new ATOM 1206 N GLY A 77 97.925 1.533 6.760 1.00 0.00 N ATOM 1207 CA GLY A 77 98.106 0.166 7.241 1.00 0.00 C ATOM 1208 C GLY A 77 97.145 -0.782 6.536 1.00 0.00 C ATOM 1209 O GLY A 77 97.452 -1.957 6.336 1.00 0.00 O ATOM 0 H GLY A 77 98.124 1.662 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.134 -0.153 7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 77 97.938 0.128 8.317 1.00 0.00 H new ATOM 1213 N THR A 78 95.981 -0.262 6.155 1.00 0.00 N ATOM 1214 CA THR A 78 94.982 -1.069 5.467 1.00 0.00 C ATOM 1215 C THR A 78 95.581 -1.707 4.219 1.00 0.00 C ATOM 1216 O THR A 78 96.327 -1.063 3.481 1.00 0.00 O ATOM 1217 CB THR A 78 93.791 -0.196 5.071 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.762 -1.017 4.537 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.237 0.817 4.022 1.00 0.00 C ATOM 0 H THR A 78 95.709 0.709 6.311 1.00 0.00 H new ATOM 0 HA THR A 78 94.648 -1.857 6.142 1.00 0.00 H new ATOM 0 HB THR A 78 93.413 0.331 5.947 1.00 0.00 H new ATOM 0 HG1 THR A 78 91.997 -0.459 4.284 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.391 1.442 3.737 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.028 1.444 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.612 0.291 3.144 1.00 0.00 H new ATOM 1227 N LYS A 79 95.257 -2.975 3.989 1.00 0.00 N ATOM 1228 CA LYS A 79 95.780 -3.681 2.822 1.00 0.00 C ATOM 1229 C LYS A 79 94.906 -3.428 1.595 1.00 0.00 C ATOM 1230 O LYS A 79 93.946 -4.156 1.344 1.00 0.00 O ATOM 1231 CB LYS A 79 95.849 -5.185 3.107 1.00 0.00 C ATOM 1232 CG LYS A 79 96.772 -5.865 2.086 1.00 0.00 C ATOM 1233 CD LYS A 79 98.214 -5.856 2.604 1.00 0.00 C ATOM 1234 CE LYS A 79 99.129 -6.537 1.583 1.00 0.00 C ATOM 1235 NZ LYS A 79 100.408 -6.924 2.243 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.643 -3.530 4.585 1.00 0.00 H new ATOM 0 HA LYS A 79 96.782 -3.304 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 79 96.220 -5.356 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.851 -5.620 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 79 96.445 -6.890 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.716 -5.346 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 79 98.543 -4.831 2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 79 98.271 -6.374 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 79 98.639 -7.419 1.171 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.327 -5.863 0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 101.030 -7.387 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 100.877 -6.074 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 100.210 -7.582 3.024 1.00 0.00 H new ATOM 1249 N MET A 80 95.256 -2.397 0.830 1.00 0.00 N ATOM 1250 CA MET A 80 94.510 -2.053 -0.381 1.00 0.00 C ATOM 1251 C MET A 80 95.183 -0.890 -1.104 1.00 0.00 C ATOM 1252 O MET A 80 95.026 0.268 -0.718 1.00 0.00 O ATOM 1253 CB MET A 80 93.064 -1.674 -0.039 1.00 0.00 C ATOM 1254 CG MET A 80 92.357 -1.175 -1.306 1.00 0.00 C ATOM 1255 SD MET A 80 90.573 -1.061 -1.014 1.00 0.00 S ATOM 1256 CE MET A 80 90.210 0.176 -2.285 1.00 0.00 C ATOM 0 H MET A 80 96.049 -1.786 1.025 1.00 0.00 H new ATOM 0 HA MET A 80 94.501 -2.927 -1.032 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.537 -2.536 0.370 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.051 -0.899 0.728 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.750 -0.199 -1.592 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.556 -1.854 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.190 0.039 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.314 1.175 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.907 0.060 -3.115 1.00 0.00 H new ATOM 1266 N ILE A 81 95.934 -1.207 -2.155 1.00 0.00 N ATOM 1267 CA ILE A 81 96.631 -0.184 -2.929 1.00 0.00 C ATOM 1268 C ILE A 81 96.446 -0.425 -4.425 1.00 0.00 C ATOM 1269 O ILE A 81 97.289 -1.046 -5.072 1.00 0.00 O ATOM 1270 CB ILE A 81 98.124 -0.197 -2.588 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.316 0.099 -1.090 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.842 0.873 -3.416 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.260 -1.204 -0.281 1.00 0.00 C ATOM 0 H ILE A 81 96.075 -2.160 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 81 96.209 0.788 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 81 98.540 -1.178 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.274 0.594 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.541 0.784 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.905 0.866 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.709 0.662 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.424 1.853 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.397 -0.981 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.292 -1.683 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 81 99.051 -1.875 -0.616 1.00 0.00 H new ATOM 1285 N PHE A 82 95.335 0.072 -4.966 1.00 0.00 N ATOM 1286 CA PHE A 82 95.040 -0.091 -6.389 1.00 0.00 C ATOM 1287 C PHE A 82 95.048 1.262 -7.094 1.00 0.00 C ATOM 1288 O PHE A 82 95.982 1.583 -7.830 1.00 0.00 O ATOM 1289 CB PHE A 82 93.671 -0.752 -6.564 1.00 0.00 C ATOM 1290 CG PHE A 82 93.339 -0.852 -8.035 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.035 -1.753 -8.849 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.337 -0.042 -8.586 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.730 -1.847 -10.211 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.032 -0.137 -9.949 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.728 -1.039 -10.762 1.00 0.00 C ATOM 0 H PHE A 82 94.627 0.588 -4.444 1.00 0.00 H new ATOM 0 HA PHE A 82 95.809 -0.724 -6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.675 -1.745 -6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.907 -0.171 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.808 -2.376 -8.425 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.800 0.655 -7.960 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.268 -2.543 -10.838 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.259 0.486 -10.374 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.492 -1.112 -11.813 1.00 0.00 H new ATOM 1305 N ALA A 83 94.004 2.051 -6.863 1.00 0.00 N ATOM 1306 CA ALA A 83 93.901 3.368 -7.481 1.00 0.00 C ATOM 1307 C ALA A 83 92.711 4.134 -6.910 1.00 0.00 C ATOM 1308 O ALA A 83 91.559 3.753 -7.116 1.00 0.00 O ATOM 1309 CB ALA A 83 93.739 3.225 -8.996 1.00 0.00 C ATOM 0 H ALA A 83 93.222 1.804 -6.257 1.00 0.00 H new ATOM 0 HA ALA A 83 94.815 3.922 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.663 4.214 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.603 2.703 -9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.835 2.656 -9.213 1.00 0.00 H new ATOM 1315 N GLY A 84 93.000 5.214 -6.192 1.00 0.00 N ATOM 1316 CA GLY A 84 91.945 6.027 -5.595 1.00 0.00 C ATOM 1317 C GLY A 84 91.070 6.664 -6.669 1.00 0.00 C ATOM 1318 O GLY A 84 91.381 6.594 -7.859 1.00 0.00 O ATOM 0 H GLY A 84 93.947 5.545 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.331 5.408 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.389 6.805 -4.974 1.00 0.00 H new ATOM 1322 N ILE A 85 89.977 7.286 -6.239 1.00 0.00 N ATOM 1323 CA ILE A 85 89.061 7.938 -7.172 1.00 0.00 C ATOM 1324 C ILE A 85 89.548 9.348 -7.493 1.00 0.00 C ATOM 1325 O ILE A 85 90.343 9.923 -6.750 1.00 0.00 O ATOM 1326 CB ILE A 85 87.658 7.994 -6.560 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.074 6.573 -6.459 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.747 8.867 -7.427 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.410 6.165 -7.780 1.00 0.00 C ATOM 0 H ILE A 85 89.704 7.353 -5.258 1.00 0.00 H new ATOM 0 HA ILE A 85 89.027 7.363 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 85 87.723 8.426 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.865 5.866 -6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.344 6.531 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.751 8.903 -6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.156 9.876 -7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.685 8.445 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 85 86.004 5.158 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.604 6.861 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.149 6.186 -8.581 1.00 0.00 H new ATOM 1341 N LYS A 86 89.078 9.897 -8.612 1.00 0.00 N ATOM 1342 CA LYS A 86 89.486 11.236 -9.027 1.00 0.00 C ATOM 1343 C LYS A 86 88.460 12.290 -8.613 1.00 0.00 C ATOM 1344 O LYS A 86 88.724 13.110 -7.733 1.00 0.00 O ATOM 1345 CB LYS A 86 89.663 11.273 -10.547 1.00 0.00 C ATOM 1346 CG LYS A 86 90.844 10.386 -10.945 1.00 0.00 C ATOM 1347 CD LYS A 86 91.038 10.445 -12.461 1.00 0.00 C ATOM 1348 CE LYS A 86 92.027 9.358 -12.891 1.00 0.00 C ATOM 1349 NZ LYS A 86 93.177 9.329 -11.944 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.420 9.439 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 86 90.430 11.466 -8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.753 10.928 -11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.835 12.297 -10.879 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.750 10.719 -10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 86 90.663 9.358 -10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 86 90.083 10.303 -12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.411 11.427 -12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.532 8.387 -12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.381 9.553 -13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.997 8.888 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.419 10.300 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.918 8.778 -11.101 1.00 0.00 H new ATOM 1363 N LYS A 87 87.299 12.278 -9.264 1.00 0.00 N ATOM 1364 CA LYS A 87 86.255 13.255 -8.965 1.00 0.00 C ATOM 1365 C LYS A 87 85.376 12.796 -7.807 1.00 0.00 C ATOM 1366 O LYS A 87 85.359 11.619 -7.446 1.00 0.00 O ATOM 1367 CB LYS A 87 85.389 13.483 -10.206 1.00 0.00 C ATOM 1368 CG LYS A 87 86.245 14.099 -11.316 1.00 0.00 C ATOM 1369 CD LYS A 87 85.343 14.587 -12.451 1.00 0.00 C ATOM 1370 CE LYS A 87 86.199 15.232 -13.541 1.00 0.00 C ATOM 1371 NZ LYS A 87 85.315 15.808 -14.595 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.059 11.609 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 87 86.740 14.187 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.961 12.539 -10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.556 14.143 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 87 86.829 14.930 -10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.954 13.362 -11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.777 13.752 -12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.618 15.306 -12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 87 86.826 16.013 -13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.868 14.491 -13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 85.898 16.246 -15.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 84.735 15.052 -15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 84.694 16.527 -14.172 1.00 0.00 H new ATOM 1385 N LYS A 88 84.641 13.740 -7.226 1.00 0.00 N ATOM 1386 CA LYS A 88 83.758 13.427 -6.110 1.00 0.00 C ATOM 1387 C LYS A 88 82.580 12.586 -6.585 1.00 0.00 C ATOM 1388 O LYS A 88 82.282 11.545 -6.004 1.00 0.00 O ATOM 1389 CB LYS A 88 83.241 14.716 -5.469 1.00 0.00 C ATOM 1390 CG LYS A 88 82.561 14.384 -4.136 1.00 0.00 C ATOM 1391 CD LYS A 88 81.881 15.639 -3.572 1.00 0.00 C ATOM 1392 CE LYS A 88 80.456 15.745 -4.119 1.00 0.00 C ATOM 1393 NZ LYS A 88 79.812 16.982 -3.592 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.640 14.720 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 88 84.325 12.860 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.065 15.410 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.535 15.210 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.824 13.594 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.297 14.008 -3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.860 15.595 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.452 16.527 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.474 15.768 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.877 14.868 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.843 17.054 -3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 79.782 16.942 -2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.361 17.813 -3.891 1.00 0.00 H new ATOM 1407 N THR A 89 81.914 13.039 -7.642 1.00 0.00 N ATOM 1408 CA THR A 89 80.771 12.304 -8.171 1.00 0.00 C ATOM 1409 C THR A 89 81.138 10.845 -8.396 1.00 0.00 C ATOM 1410 O THR A 89 80.290 9.962 -8.300 1.00 0.00 O ATOM 1411 CB THR A 89 80.300 12.914 -9.490 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.393 12.987 -10.395 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.745 14.317 -9.238 1.00 0.00 C ATOM 0 H THR A 89 82.141 13.898 -8.143 1.00 0.00 H new ATOM 0 HA THR A 89 79.964 12.367 -7.441 1.00 0.00 H new ATOM 0 HB THR A 89 79.516 12.290 -9.919 1.00 0.00 H new ATOM 0 HG1 THR A 89 81.091 13.377 -11.242 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.410 14.750 -10.180 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.904 14.257 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.525 14.945 -8.807 1.00 0.00 H new ATOM 1421 N GLU A 90 82.410 10.594 -8.684 1.00 0.00 N ATOM 1422 CA GLU A 90 82.861 9.229 -8.899 1.00 0.00 C ATOM 1423 C GLU A 90 82.754 8.460 -7.588 1.00 0.00 C ATOM 1424 O GLU A 90 82.411 7.278 -7.573 1.00 0.00 O ATOM 1425 CB GLU A 90 84.311 9.217 -9.398 1.00 0.00 C ATOM 1426 CG GLU A 90 84.345 9.525 -10.896 1.00 0.00 C ATOM 1427 CD GLU A 90 85.783 9.484 -11.404 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.662 9.901 -10.667 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.983 9.036 -12.521 1.00 0.00 O ATOM 0 H GLU A 90 83.135 11.306 -8.772 1.00 0.00 H new ATOM 0 HA GLU A 90 82.235 8.756 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.899 9.955 -8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.763 8.244 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.738 8.800 -11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.912 10.508 -11.084 1.00 0.00 H new ATOM 1436 N ARG A 91 83.032 9.153 -6.487 1.00 0.00 N ATOM 1437 CA ARG A 91 82.948 8.542 -5.166 1.00 0.00 C ATOM 1438 C ARG A 91 81.493 8.433 -4.729 1.00 0.00 C ATOM 1439 O ARG A 91 81.063 7.397 -4.233 1.00 0.00 O ATOM 1440 CB ARG A 91 83.712 9.384 -4.144 1.00 0.00 C ATOM 1441 CG ARG A 91 85.149 9.594 -4.619 1.00 0.00 C ATOM 1442 CD ARG A 91 85.958 10.305 -3.527 1.00 0.00 C ATOM 1443 NE ARG A 91 86.526 11.542 -4.049 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.012 12.474 -3.236 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.999 12.287 -1.945 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.508 13.576 -3.729 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.316 10.133 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 91 83.389 7.547 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.219 10.347 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.709 8.887 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.607 8.634 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.156 10.186 -5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.317 10.522 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.755 9.652 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 91 86.551 11.695 -5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.615 11.425 -1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.372 13.003 -1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.523 13.722 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.881 14.291 -3.105 1.00 0.00 H new ATOM 1460 N GLU A 92 80.739 9.513 -4.916 1.00 0.00 N ATOM 1461 CA GLU A 92 79.332 9.517 -4.536 1.00 0.00 C ATOM 1462 C GLU A 92 78.583 8.442 -5.310 1.00 0.00 C ATOM 1463 O GLU A 92 77.914 7.594 -4.720 1.00 0.00 O ATOM 1464 CB GLU A 92 78.713 10.888 -4.821 1.00 0.00 C ATOM 1465 CG GLU A 92 77.307 10.948 -4.222 1.00 0.00 C ATOM 1466 CD GLU A 92 76.638 12.268 -4.592 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.327 13.275 -4.605 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.448 12.252 -4.857 1.00 0.00 O ATOM 0 H GLU A 92 81.075 10.386 -5.323 1.00 0.00 H new ATOM 0 HA GLU A 92 79.255 9.309 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.335 11.675 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.669 11.063 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.710 10.113 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.360 10.849 -3.138 1.00 0.00 H new ATOM 1475 N ASP A 93 78.710 8.472 -6.634 1.00 0.00 N ATOM 1476 CA ASP A 93 78.051 7.480 -7.471 1.00 0.00 C ATOM 1477 C ASP A 93 78.530 6.081 -7.095 1.00 0.00 C ATOM 1478 O ASP A 93 77.726 5.185 -6.840 1.00 0.00 O ATOM 1479 CB ASP A 93 78.358 7.749 -8.946 1.00 0.00 C ATOM 1480 CG ASP A 93 77.932 9.165 -9.316 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.460 9.869 -8.438 1.00 0.00 O ATOM 1482 OD2 ASP A 93 78.083 9.526 -10.472 1.00 0.00 O1- ATOM 0 H ASP A 93 79.257 9.165 -7.144 1.00 0.00 H new ATOM 0 HA ASP A 93 76.975 7.546 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.424 7.620 -9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.834 7.027 -9.573 1.00 0.00 H new ATOM 1487 N LEU A 94 79.848 5.908 -7.049 1.00 0.00 N ATOM 1488 CA LEU A 94 80.431 4.619 -6.689 1.00 0.00 C ATOM 1489 C LEU A 94 79.904 4.168 -5.338 1.00 0.00 C ATOM 1490 O LEU A 94 79.673 2.981 -5.111 1.00 0.00 O ATOM 1491 CB LEU A 94 81.958 4.735 -6.611 1.00 0.00 C ATOM 1492 CG LEU A 94 82.565 3.422 -6.106 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.074 2.265 -6.975 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.097 3.503 -6.175 1.00 0.00 C ATOM 0 H LEU A 94 80.529 6.639 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 94 80.157 3.891 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.362 4.976 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.234 5.552 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 94 82.258 3.255 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.506 1.331 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.987 2.206 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.378 2.431 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.527 2.568 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.406 3.672 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.446 4.326 -5.552 1.00 0.00 H new ATOM 1506 N ILE A 95 79.737 5.125 -4.437 1.00 0.00 N ATOM 1507 CA ILE A 95 79.258 4.818 -3.103 1.00 0.00 C ATOM 1508 C ILE A 95 77.759 4.568 -3.105 1.00 0.00 C ATOM 1509 O ILE A 95 77.248 3.797 -2.292 1.00 0.00 O ATOM 1510 CB ILE A 95 79.626 5.951 -2.142 1.00 0.00 C ATOM 1511 CG1 ILE A 95 81.125 5.844 -1.843 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.815 5.823 -0.846 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.615 7.095 -1.122 1.00 0.00 C ATOM 0 H ILE A 95 79.925 6.113 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 95 79.741 3.902 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 95 79.399 6.919 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.318 4.964 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.679 5.712 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 95 79.083 6.633 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.751 5.879 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 95 79.034 4.866 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.682 7.003 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.440 7.969 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.074 7.209 -0.183 1.00 0.00 H new ATOM 1525 N ALA A 96 77.057 5.201 -4.033 1.00 0.00 N ATOM 1526 CA ALA A 96 75.620 5.010 -4.134 1.00 0.00 C ATOM 1527 C ALA A 96 75.333 3.562 -4.512 1.00 0.00 C ATOM 1528 O ALA A 96 74.356 2.966 -4.055 1.00 0.00 O ATOM 1529 CB ALA A 96 75.040 5.955 -5.185 1.00 0.00 C ATOM 0 H ALA A 96 77.454 5.844 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 96 75.154 5.232 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.963 5.805 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.245 6.987 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.498 5.748 -6.152 1.00 0.00 H new ATOM 1535 N TYR A 97 76.212 2.997 -5.337 1.00 0.00 N ATOM 1536 CA TYR A 97 76.064 1.612 -5.756 1.00 0.00 C ATOM 1537 C TYR A 97 76.468 0.684 -4.615 1.00 0.00 C ATOM 1538 O TYR A 97 75.782 -0.292 -4.327 1.00 0.00 O ATOM 1539 CB TYR A 97 76.932 1.326 -6.985 1.00 0.00 C ATOM 1540 CG TYR A 97 76.950 -0.161 -7.254 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.870 -0.769 -7.906 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.043 -0.935 -6.845 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.883 -2.148 -8.149 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.057 -2.313 -7.087 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.977 -2.920 -7.739 1.00 0.00 C ATOM 1546 OH TYR A 97 76.990 -4.279 -7.978 1.00 0.00 O ATOM 0 H TYR A 97 77.026 3.475 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 97 75.020 1.436 -6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.541 1.858 -7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.946 1.689 -6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.026 -0.174 -8.222 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.877 -0.467 -6.342 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.050 -2.616 -8.652 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.901 -2.908 -6.771 1.00 0.00 H new ATOM 0 HH TYR A 97 77.822 -4.664 -7.631 1.00 0.00 H new ATOM 1556 N LEU A 98 77.587 1.002 -3.968 1.00 0.00 N ATOM 1557 CA LEU A 98 78.068 0.193 -2.856 1.00 0.00 C ATOM 1558 C LEU A 98 76.987 0.078 -1.784 1.00 0.00 C ATOM 1559 O LEU A 98 76.984 -0.860 -0.990 1.00 0.00 O ATOM 1560 CB LEU A 98 79.327 0.827 -2.250 1.00 0.00 C ATOM 1561 CG LEU A 98 80.564 0.449 -3.083 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.679 1.476 -2.872 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.069 -0.926 -2.643 1.00 0.00 C ATOM 0 H LEU A 98 78.171 1.807 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 98 78.311 -0.802 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.218 1.911 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.455 0.489 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 98 80.286 0.430 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.548 1.197 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.329 2.461 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.954 1.503 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.946 -1.197 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.336 -0.895 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.285 -1.668 -2.797 1.00 0.00 H new ATOM 1575 N LYS A 99 76.072 1.044 -1.766 1.00 0.00 N ATOM 1576 CA LYS A 99 74.992 1.042 -0.783 1.00 0.00 C ATOM 1577 C LYS A 99 73.895 0.059 -1.184 1.00 0.00 C ATOM 1578 O LYS A 99 73.509 -0.805 -0.398 1.00 0.00 O ATOM 1579 CB LYS A 99 74.397 2.448 -0.654 1.00 0.00 C ATOM 1580 CG LYS A 99 75.319 3.320 0.202 1.00 0.00 C ATOM 1581 CD LYS A 99 74.788 4.756 0.231 1.00 0.00 C ATOM 1582 CE LYS A 99 73.431 4.796 0.940 1.00 0.00 C ATOM 1583 NZ LYS A 99 73.176 6.176 1.442 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.056 1.831 -2.414 1.00 0.00 H new ATOM 0 HA LYS A 99 75.406 0.732 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.272 2.893 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.407 2.395 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.375 2.922 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.331 3.304 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.496 5.405 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.688 5.137 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.640 4.495 0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.420 4.088 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.114 6.162 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.954 6.801 1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 72.281 6.529 1.047 1.00 0.00 H new ATOM 1597 N LYS A 100 73.396 0.198 -2.408 1.00 0.00 N ATOM 1598 CA LYS A 100 72.340 -0.686 -2.894 1.00 0.00 C ATOM 1599 C LYS A 100 72.900 -2.069 -3.213 1.00 0.00 C ATOM 1600 O LYS A 100 72.155 -3.044 -3.313 1.00 0.00 O ATOM 1601 CB LYS A 100 71.695 -0.089 -4.149 1.00 0.00 C ATOM 1602 CG LYS A 100 70.331 -0.748 -4.394 1.00 0.00 C ATOM 1603 CD LYS A 100 69.944 -0.608 -5.872 1.00 0.00 C ATOM 1604 CE LYS A 100 70.567 -1.748 -6.687 1.00 0.00 C ATOM 1605 NZ LYS A 100 69.676 -2.941 -6.632 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.701 0.906 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 100 71.587 -0.786 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.573 0.988 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.344 -0.243 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.371 -1.802 -4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.573 -0.282 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 100 68.859 -0.626 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.285 0.353 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 100 70.710 -1.435 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 100 71.551 -1.997 -6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 70.097 -3.715 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.562 -3.244 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.746 -2.698 -7.030 1.00 0.00 H new ATOM 1619 N ALA A 101 74.217 -2.145 -3.371 1.00 0.00 N ATOM 1620 CA ALA A 101 74.869 -3.413 -3.679 1.00 0.00 C ATOM 1621 C ALA A 101 75.176 -4.180 -2.400 1.00 0.00 C ATOM 1622 O ALA A 101 75.193 -5.410 -2.392 1.00 0.00 O ATOM 1623 CB ALA A 101 76.167 -3.159 -4.445 1.00 0.00 C ATOM 0 H ALA A 101 74.851 -1.350 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 101 74.194 -4.008 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.648 -4.111 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 101 75.944 -2.635 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.836 -2.550 -3.836 1.00 0.00 H new ATOM 1629 N THR A 102 75.413 -3.446 -1.318 1.00 0.00 N ATOM 1630 CA THR A 102 75.714 -4.074 -0.036 1.00 0.00 C ATOM 1631 C THR A 102 74.432 -4.271 0.758 1.00 0.00 C ATOM 1632 O THR A 102 74.424 -4.919 1.803 1.00 0.00 O ATOM 1633 CB THR A 102 76.685 -3.201 0.761 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.129 -1.903 0.923 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.013 -3.101 0.012 1.00 0.00 C ATOM 0 H THR A 102 75.403 -2.426 -1.302 1.00 0.00 H new ATOM 0 HA THR A 102 76.176 -5.044 -0.219 1.00 0.00 H new ATOM 0 HB THR A 102 76.856 -3.647 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.214 -1.404 0.084 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.705 -2.479 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.438 -4.097 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.845 -2.655 -0.968 1.00 0.00 H new ATOM 1643 N ASN A 103 73.349 -3.704 0.241 1.00 0.00 N ATOM 1644 CA ASN A 103 72.050 -3.812 0.887 1.00 0.00 C ATOM 1645 C ASN A 103 71.185 -4.828 0.153 1.00 0.00 C ATOM 1646 O ASN A 103 70.253 -5.395 0.724 1.00 0.00 O ATOM 1647 CB ASN A 103 71.359 -2.449 0.879 1.00 0.00 C ATOM 1648 CG ASN A 103 71.965 -1.549 1.947 1.00 0.00 C ATOM 1649 OD1 ASN A 103 73.203 -1.730 2.308 1.00 0.00 O flip ATOM 1650 ND2 ASN A 103 71.293 -0.658 2.466 1.00 0.00 N flip ATOM 0 H ASN A 103 73.346 -3.165 -0.625 1.00 0.00 H new ATOM 0 HA ASN A 103 72.191 -4.142 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.465 -1.985 -0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.291 -2.573 1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 103 70.324 -0.519 2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 103 71.706 -0.059 3.181 1.00 0.00 H new ATOM 1657 N GLU A 104 71.510 -5.053 -1.118 1.00 0.00 N ATOM 1658 CA GLU A 104 70.767 -6.005 -1.943 1.00 0.00 C ATOM 1659 C GLU A 104 69.290 -6.027 -1.556 1.00 0.00 C ATOM 1660 O GLU A 104 68.585 -5.104 -1.932 1.00 0.00 O ATOM 1661 CB GLU A 104 71.364 -7.406 -1.785 1.00 0.00 C ATOM 1662 CG GLU A 104 72.639 -7.519 -2.627 1.00 0.00 C ATOM 1663 CD GLU A 104 72.280 -7.772 -4.088 1.00 0.00 C ATOM 1664 OE1 GLU A 104 72.033 -8.917 -4.427 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 72.260 -6.817 -4.846 1.00 0.00 O ATOM 1666 OXT GLU A 104 68.887 -6.964 -0.890 1.00 0.00 O ATOM 0 H GLU A 104 72.281 -4.590 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 104 70.845 -5.690 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 104 71.590 -7.600 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 104 70.641 -8.158 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 104 73.223 -6.603 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 104 73.262 -8.331 -2.251 1.00 0.00 H new